| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 22.3 | Very low | 29.1 | Very low | 202 Ų | 202 | 97 Ų | 97 | 100% | 0.995 | 49% | 0.486 | S | S | * | . | 0 | 165.9 | 0 | -88.5 | -173.3 | 174.7 | 0 | 0 | 109.1 | |||||
| 2 | K | 23.3 | Very low | 29.5 | Very low | 180 Ų | 180 | 96.1 Ų | 96.1 | 78% | 0.783 | 47% | 0.473 | S | S | * | . | trans | 53.9 | 73.8 | 175.3 | -71.4 | -163.5 | -171.5 | 175.6 | 0 | 115.3 | I4 | K2-I4 VanDerWaalsContact C-N 3.26Å; K2-I4 HydrophobicContact CB-CD1 4.08Å; K2-I4 HydrophobicContact CB-CG1 4.03Å; K2-I4 HydrophobicContact CD-CD1 3.97Å; K2-I4 HydrophobicContact CD-CG1 4.42Å; K2-I4 PolarHBondContact O-N 2.82Å | ||
| 3 | L | 26.8 | Very low | 30 | Very low | 182 Ų | 182 | 91.3 Ų | 91.3 | 95% | 0.953 | 46% | 0.455 | S | S | * | . | trans | -65.5 | 89.1 | 154.2 | -94.3 | 154.9 | 0 | 0 | 0 | 108.5 | ||||
| 4 | I | 26.3 | Very low | 30.3 | Very low | 91 Ų | 91 | 89.6 Ų | 89.6 | 47% | 0.467 | 45% | 0.448 | S | S | . | . | trans | -81.2 | 122.1 | -176 | -81.6 | 164.6 | 0 | 0 | 0 | 110.3 | K2 S6 | K2-I4 VanDerWaalsContact C-N 3.26Å; K2-I4 HydrophobicContact CB-CD1 4.08Å; K2-I4 HydrophobicContact CB-CG1 4.03Å; K2-I4 HydrophobicContact CD-CD1 3.97Å; K2-I4 HydrophobicContact CD-CG1 4.42Å; K2-I4 PolarHBondContact O-N 2.82Å; I4-S6 VanDerWaalsContact C-N 3.25Å; I4-S6 PolarHBondContact O-N 2.67Å | ||
| 5 | Q | 27.3 | Very low | 30.7 | Very low | 128 Ų | 128 | 90.4 Ų | 90.4 | 60% | 0.598 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 53.7 | -2.5 | 146.9 | -59.5 | 179.3 | 18.7 | 0 | 0 | 121.6 | G7 S8 | Q5-G7 PolarHBondContact O-N 3.02Å; Q5-G7 VanDerWaalsContact O-N 3.17Å; Q5-S8 WeakPolarHBondContact O-CB 3.34Å; Q5-S8 PolarHBondContact O-N 2.9Å; Q5-S8 PolarHBondContact O-OG 2.99Å |
| 6 | S | 32.3 | Very low | 31.1 | Very low | 66 Ų | 66 | 89.4 Ų | 89.4 | 46% | 0.462 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -51.9 | -40.1 | 172.7 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | I4 S8 | I4-S6 VanDerWaalsContact C-N 3.25Å; I4-S6 PolarHBondContact O-N 2.67Å; S6-S8 PolarHBondContact O-N 3.32Å; S6-S8 VanDerWaalsContact O-N 3.1Å |
| 7 | G | 29.1 | Very low | 31.1 | Very low | 26 Ų | 26 | 89.9 Ų | 89.9 | 27% | 0.268 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.6 | 14.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q5 R11 | Q5-G7 PolarHBondContact O-N 3.02Å; Q5-G7 VanDerWaalsContact O-N 3.17Å; G7-R11 WeakPolarHBondContact O-CD 3.47Å; G7-R11 VanDerWaalsContact O-CG 3.24Å; G7-R11 WeakPolarHBondContact O-CG 3.39Å; G7-R11 PolarHBondContact O-NE 2.91Å; G7-R11 PolarHBondContact O-NH1 3.15Å |
| 8 | S | 31.5 | Very low | 31.6 | Very low | 23 Ų | 23 | 89.4 Ų | 89.4 | 16% | 0.161 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -92.4 | -39.6 | 177.7 | 67.9 | 0 | 0 | 0 | 0 | 113.3 | Q5 S6 I34 | Q5-S8 WeakPolarHBondContact O-CB 3.34Å; Q5-S8 PolarHBondContact O-N 2.9Å; Q5-S8 PolarHBondContact O-OG 2.99Å; S6-S8 PolarHBondContact O-N 3.32Å; S6-S8 VanDerWaalsContact O-N 3.1Å; S8-I34 WeakPolarHBondContact OG-CG2 3.37Å |
| 9 | M | 33 | Very low | 32.3 | Very low | 14 Ų | 14 | 86.2 Ų | 86.2 | 7% | 0.069 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.9 | -54.3 | -178.1 | -74.4 | -100.6 | 51.4 | 0 | 0 | 112.5 | R11 R12 I34 I35 W38 T58 | M9-R11 PolarHBondContact O-N 2.66Å; M9-R12 PolarHBondContact O-N 2.76Å; M9-I34 HydrophobicContact CE-CG2 4.32Å; M9-I34 HydrophobicContact CG-CG2 3.67Å; M9-I34 HydrophobicContact SD-CG2 3.93Å; M9-I35 HydrophobicContact CE-CD1 4.2Å; M9-I35 HydrophobicContact CE-CG1 3.6Å; M9-I35 HydrophobicContact SD-CB 4.24Å; M9-I35 HydrophobicContact SD-CD1 4.45Å; M9-I35 HydrophobicContact SD-CG1 3.33Å; M9-I35 WeakPolarHBondContact SD-CG1 3.17Å; M9-W38 HydrophobicContact CB-CZ3 4.29Å; M9-W38 HydrophobicContact CG-CE3 3.68Å; M9-W38 HydrophobicContact CG-CZ3 3.93Å; M9-W38 HydrophobicContact SD-CE3 3.85Å; M9-W38 HydrophobicContact SD-CZ3 4.15Å; M9-T58 HydrophobicContact CE-CG2 3.94Å; M9-T58 HydrophobicContact SD-CG2 3.64Å |
| 10 | Y | 33.3 | Very low | 32.7 | Very low | 47 Ų | 47 | 85.9 Ų | 85.9 | 18% | 0.184 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.4 | -177.7 | -70.1 | -64.9 | 0 | 0 | 0 | 114.2 | R12 | Y10-R12 VanDerWaalsContact C-N 3.28Å; Y10-R12 PolarHBondContact O-N 3.37Å |
| 11 | R | 35.1 | Very low | 33.4 | Very low | 108 Ų | 108 | 83.3 Ų | 83.3 | 41% | 0.408 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -3.3 | 178.7 | -62.6 | 177.6 | 179.8 | 151.9 | 6.7 | 114.2 | G7 M9 | G7-R11 WeakPolarHBondContact O-CD 3.47Å; G7-R11 VanDerWaalsContact O-CG 3.24Å; G7-R11 WeakPolarHBondContact O-CG 3.39Å; G7-R11 PolarHBondContact O-NE 2.91Å; G7-R11 PolarHBondContact O-NH1 3.15Å; M9-R11 PolarHBondContact O-N 2.66Å |
| 12 | R | 33.6 | Very low | 34.7 | Very low | 86 Ų | 86 | 79.7 Ų | 79.7 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | -11.2 | -164 | -66.2 | -169.3 | 173.9 | -166.8 | 10.4 | 116.6 | M9 Y10 D14 R15 E31 | M9-R12 PolarHBondContact O-N 2.76Å; Y10-R12 VanDerWaalsContact C-N 3.28Å; Y10-R12 PolarHBondContact O-N 3.37Å; R12-D14 VanDerWaalsContact C-N 3.33Å; R12-R15 WeakPolarHBondContact O-CG 3.32Å; R12-E31 WeakPolarHBondContact CB-OE2 3.49Å; R12-E31 VanDerWaalsContact CD-CD 3.48Å; R12-E31 WeakPolarHBondContact CD-OE1 3.18Å; R12-E31 WeakPolarHBondContact CD-OE2 3.33Å; R12-E31 IonicContact CZ-OE1 3Å; R12-E31 IonicContact NE-OE1 3.88Å; R12-E31 IonicContact NH1-OE1 2.7Å; R12-E31 PolarHBondContact NH1-OE1 3.14Å; R12-E31 IonicContact NH1-OE2 2.76Å |
| 13 | S | 36.2 | Very low | 36.5 | Very low | 34 Ų | 34 | 75 Ų | 75 | 24% | 0.238 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -38.2 | 168.6 | 45.9 | 0 | 0 | 0 | 0 | 112.1 | R15 | S13-R15 PolarHBondContact O-N 3.25Š|
| 14 | D | 33.6 | Very low | 38.2 | Very low | 68 Ų | 68 | 67.8 Ų | 67.8 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 31.5 | -166.6 | -65.3 | 31.2 | 0 | 0 | 0 | 113.2 | R12 L16 | R12-D14 VanDerWaalsContact C-N 3.33Å; D14-L16 PolarHBondContact O-N 2.91Å |
| 15 | R | 36.5 | Very low | 40.3 | Very low | 101 Ų | 101 | 68 Ų | 68 | 38% | 0.381 | 34% | 0.343 | S | S | . | . | trans | -80 | 101.6 | 173.7 | -64.5 | 178.9 | -162 | -138.2 | 14.4 | 110.2 | R12 S13 V27 E31 | R12-R15 WeakPolarHBondContact O-CG 3.32Å; S13-R15 PolarHBondContact O-N 3.25Å; R15-V27 VanDerWaalsContact NH2-CG1 3.33Å; R15-E31 IonicContact CZ-OE1 3.02Å; R15-E31 IonicContact NH2-OE1 3.75Å; R15-E31 PolarHBondContact NH2-OE1 3.1Å | ||
| 16 | L | 37.4 | Very low | 42.6 | Very low | 74 Ų | 74 | 67.6 Ų | 67.6 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | trans | -88.6 | -5.8 | 170.2 | -74.4 | 75.1 | 0 | 0 | 0 | 113.8 | D14 P18 | D14-L16 PolarHBondContact O-N 2.91Å; L16-P18 VanDerWaalsContact O-CD 3.29Å; L16-P18 WeakPolarHBondContact O-CD 3.41Å | ||
| 17 | F | 31 | Very low | 44.5 | Very low | 99 Ų | 99 | 65.1 Ų | 65.1 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -72.8 | 113.9 | 158.6 | -70.4 | -67.1 | 0 | 0 | 0 | 108.5 | I19 E1078 M1081 | F17-I19 PolarHBondContact O-N 2.86Å; F17-E1078 WeakPolarHBondContact CE1-O 3.41Å; F17-M1081 HydrophobicContact CD1-SD 4.4Å; F17-M1081 HydrophobicContact CE1-CG 4.38Å; F17-M1081 HydrophobicContact CE1-SD 4.18Å |
| 18 | P | 39.5 | Very low | 46.6 | Very low | 81 Ų | 81 | 64.3 Ų | 64.3 | 53% | 0.526 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -63 | 129.4 | -180 | 27 | -33.9 | 0 | 0 | 0 | 109 | L16 H20 | L16-P18 VanDerWaalsContact O-CD 3.29Å; L16-P18 WeakPolarHBondContact O-CD 3.41Å; P18-H20 PolarHBondContact O-N 3.33Å; P18-H20 VanDerWaalsContact O-N 3.09Å |
| 19 | I | 46 | Very low | 48.9 | Very low | 27 Ų | 27 | 69 Ų | 69 | 14% | 0.138 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -67 | 118.1 | -174.4 | -50.5 | 152.2 | 0 | 0 | 0 | 108.8 | F17 N23 L24 V27 F66 | F17-I19 PolarHBondContact O-N 2.86Å; I19-N23 HydrophobicContact CG2-CB 3.97Å; I19-L24 HydrophobicContact CB-CB 4.33Å; I19-L24 HydrophobicContact CB-CD1 3.93Å; I19-L24 HydrophobicContact CD1-CD1 3.86Å; I19-L24 HydrophobicContact CG1-CD1 4.47Å; I19-L24 HydrophobicContact CG2-CB 4.34Å; I19-V27 HydrophobicContact CD1-CB 4.01Å; I19-V27 HydrophobicContact CD1-CG1 3.5Å; I19-V27 VanDerWaalsContact CD1-CG1 3.5Å; I19-V27 HydrophobicContact CG1-CG1 4.22Å; I19-V27 HydrophobicContact CG2-CB 3.95Å; I19-V27 HydrophobicContact CG2-CG1 4.45Å; I19-V27 HydrophobicContact CG2-CG2 3.8Å; I19-F66 HydrophobicContact CD1-CE1 3.64Å; I19-F66 HydrophobicContact CD1-CZ 4.01Å |
| 20 | H | 39.1 | Very low | 51.1 | Low | 81 Ų | 81 | 71 Ų | 71 | 38% | 0.375 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -46.5 | 124.6 | 177.3 | 172.8 | -98.1 | 0 | 0 | 0 | 111.4 | P18 H22 N23 L24 P1092 H1093 | P18-H20 PolarHBondContact O-N 3.33Å; P18-H20 VanDerWaalsContact O-N 3.09Å; H20-H22 VanDerWaalsContact C-N 3.32Å; H20-H22 AromaticContact CE1-CD2 3.95Å; H20-H22 AromaticContact CE1-CG 3.89Å; H20-H22 PolarHBondContact O-N 3.43Å; H20-N23 CarbonylContact O-C 3.32Å; H20-N23 VanDerWaalsContact O-CA 3.25Å; H20-N23 WeakPolarHBondContact O-CA 3.33Å; H20-N23 WeakPolarHBondContact O-CB 3.29Å; H20-N23 PolarHBondContact O-N 3.43Å; H20-L24 PolarHBondContact O-N 3.29Å; H20-P1092 PolarHBondContact NE2-O 2.73Å; H20-H1093 AromaticContact CE1-CE1 3.63Å; H20-H1093 AromaticContact CE1-ND1 3.9Å; H20-H1093 AromaticContact NE2-CE1 3.67Å; H20-H1093 AromaticContact NE2-ND1 3.65Å |
| 21 | P | 47.7 | Very low | 53.1 | Low | 31 Ų | 31 | 69 Ų | 69 | 20% | 0.201 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.2 | -19.3 | -157.5 | 4.8 | -13 | 0 | 0 | 0 | 118.6 | N23 L24 P1092 H1093 | P21-N23 VanDerWaalsContact C-N 3.35Å; P21-L24 HydrophobicContact CB-CB 4.33Å; P21-L24 HydrophobicContact CB-CD2 4.45Å; P21-L24 PolarHBondContact O-N 3.16Å; P21-P1092 HydrophobicContact CG-CB 4.03Å; P21-P1092 HydrophobicContact CG-CG 3.72Å; P21-H1093 VanDerWaalsContact C-NE2 3.33Å; P21-H1093 VanDerWaalsContact CB-NE2 3.28Å; P21-H1093 WeakPolarHBondContact CB-NE2 3.36Å; P21-H1093 VanDerWaalsContact CG-CE1 3.42Å; P21-H1093 WeakPolarHBondContact CG-CE1 3.46Å; P21-H1093 WeakPolarHBondContact CG-NE2 3.44Å |
| 22 | H | 50.6 | Low | 55.4 | Low | 127 Ų | 127 | 64.5 Ų | 64.5 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 166.6 | -72.7 | -3.5 | 0 | 0 | 0 | 110.7 | H20 H1093 | H20-H22 VanDerWaalsContact C-N 3.32Å; H20-H22 AromaticContact CE1-CD2 3.95Å; H20-H22 AromaticContact CE1-CG 3.89Å; H20-H22 PolarHBondContact O-N 3.43Å; H22-H1093 AromaticContact CE1-CD2 3.4Å; H22-H1093 PolarHBondContact CE1-CD2 3.34Å; H22-H1093 AromaticContact CE1-CE1 3.55Å; H22-H1093 AromaticContact CE1-CG 3.4Å; H22-H1093 VanDerWaalsContact CE1-CG 3.4Å; H22-H1093 AromaticContact CE1-ND1 3.49Å; H22-H1093 PolarHBondContact CE1-ND1 2.83Å; H22-H1093 AromaticContact CE1-NE2 3.47Å; H22-H1093 PolarHBondContact CE1-NE2 3.06Å; H22-H1093 AromaticContact CG-CE1 3.55Å; H22-H1093 AromaticContact CG-NE2 3.76Å; H22-H1093 PolarHBondContact N-CE1 2.96Å; H22-H1093 PolarHBondContact N-NE2 2.97Å; H22-H1093 VanDerWaalsContact N-NE2 3.13Å; H22-H1093 AromaticContact ND1-CD2 3.33Å; H22-H1093 PolarHBondContact ND1-CD2 3.09Å; H22-H1093 VanDerWaalsContact ND1-CD2 3.33Å; H22-H1093 AromaticContact ND1-CE1 3.09Å; H22-H1093 PolarHBondContact ND1-CE1 3.34Å; H22-H1093 AromaticContact ND1-CG 3.68Å; H22-H1093 AromaticContact ND1-ND1 3.53Å; H22-H1093 AromaticContact ND1-NE2 2.89Å; H22-H1093 PolarHBondContact ND1-NE2 3.18Å |
| 23 | N | 61.2 | Low | 57.8 | Low | 81 Ų | 81 | 64.8 Ų | 64.8 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -80.6 | -19 | 173.2 | -69.3 | -12.1 | 0 | 0 | 0 | 112 | I19 H20 P21 N25 K26 V27 | I19-N23 HydrophobicContact CG2-CB 3.97Å; H20-N23 CarbonylContact O-C 3.32Å; H20-N23 VanDerWaalsContact O-CA 3.25Å; H20-N23 WeakPolarHBondContact O-CA 3.33Å; H20-N23 WeakPolarHBondContact O-CB 3.29Å; H20-N23 PolarHBondContact O-N 3.43Å; P21-N23 VanDerWaalsContact C-N 3.35Å; N23-N25 PolarHBondContact O-N 2.62Å; N23-K26 CarbonylContact O-C 2.89Å; N23-K26 PolarHBondContact O-N 3.11Å; N23-V27 VanDerWaalsContact O-CB 3.31Å; N23-V27 WeakPolarHBondContact O-CB 3.4Å; N23-V27 VanDerWaalsContact O-CG2 3.3Å; N23-V27 WeakPolarHBondContact O-CG2 3.21Å; N23-V27 PolarHBondContact O-N 3.48Å |
| 24 | L | 62.8 | Low | 60 | Low | 31 Ų | 31 | 64.6 Ų | 64.6 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 178.1 | 179.8 | 65.7 | 0 | 0 | 0 | 110.8 | I19 H20 P21 K26 V27 I28 F66 | I19-L24 HydrophobicContact CB-CB 4.33Å; I19-L24 HydrophobicContact CB-CD1 3.93Å; I19-L24 HydrophobicContact CD1-CD1 3.86Å; I19-L24 HydrophobicContact CG1-CD1 4.47Å; I19-L24 HydrophobicContact CG2-CB 4.34Å; H20-L24 PolarHBondContact O-N 3.29Å; P21-L24 HydrophobicContact CB-CB 4.33Å; P21-L24 HydrophobicContact CB-CD2 4.45Å; P21-L24 PolarHBondContact O-N 3.16Å; L24-K26 PolarHBondContact O-N 3.13Å; L24-V27 PolarHBondContact O-N 2.69Å; L24-I28 HydrophobicContact CD1-CD1 3.63Å; L24-I28 HydrophobicContact CD1-CG1 4.08Å; L24-I28 HydrophobicContact CG-CD1 3.74Å; L24-I28 HydrophobicContact CG-CG1 4.44Å; L24-I28 WeakPolarHBondContact O-CB 3.33Å; L24-I28 WeakPolarHBondContact O-CG1 3.14Å; L24-I28 PolarHBondContact O-N 2.98Å; L24-F66 HydrophobicContact CD1-CD1 4.35Å; L24-F66 HydrophobicContact CD1-CE1 4.45Å |
| 25 | N | 70.4 | Confident | 62.4 | Low | 94 Ų | 94 | 61.4 Ų | 61.4 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 176.3 | -69.5 | -14.4 | 0 | 0 | 0 | 111.6 | N23 Q29 R69 | N23-N25 PolarHBondContact O-N 2.62Å; N25-Q29 WeakPolarHBondContact O-CB 3.45Å; N25-Q29 WeakPolarHBondContact O-CG 3.33Å; N25-Q29 PolarHBondContact O-N 2.81Å; N25-R69 PolarHBondContact OD1-NH1 3.39Å |
| 26 | K | 74.6 | Confident | 64.7 | Low | 121 Ų | 121 | 58.6 Ų | 58.6 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.9 | -46.7 | 176.4 | -173.2 | -175.4 | 172.4 | -177 | 0 | 112.2 | N23 L24 Q29 D30 | N23-K26 CarbonylContact O-C 2.89Å; N23-K26 PolarHBondContact O-N 3.11Å; L24-K26 PolarHBondContact O-N 3.13Å; K26-Q29 CarbonylContact O-C 3.55Å; K26-Q29 WeakPolarHBondContact O-CA 3.33Å; K26-Q29 WeakPolarHBondContact O-CB 3.19Å; K26-Q29 PolarHBondContact O-N 3.49Å; K26-D30 WeakPolarHBondContact CE-OD2 3.42Å; K26-D30 PolarHBondContact O-N 3.14Å |
| 27 | V | 71.3 | Confident | 66.9 | Low | 13 Ų | 13 | 59.8 Ų | 59.8 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.8 | -38.5 | -179.2 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | R15 I19 N23 L24 Q29 D30 E31 | R15-V27 VanDerWaalsContact NH2-CG1 3.33Å; I19-V27 HydrophobicContact CD1-CB 4.01Å; I19-V27 HydrophobicContact CD1-CG1 3.5Å; I19-V27 VanDerWaalsContact CD1-CG1 3.5Å; I19-V27 HydrophobicContact CG1-CG1 4.22Å; I19-V27 HydrophobicContact CG2-CB 3.95Å; I19-V27 HydrophobicContact CG2-CG1 4.45Å; I19-V27 HydrophobicContact CG2-CG2 3.8Å; N23-V27 VanDerWaalsContact O-CB 3.31Å; N23-V27 WeakPolarHBondContact O-CB 3.4Å; N23-V27 VanDerWaalsContact O-CG2 3.3Å; N23-V27 WeakPolarHBondContact O-CG2 3.21Å; N23-V27 PolarHBondContact O-N 3.48Å; L24-V27 PolarHBondContact O-N 2.69Å; V27-Q29 VanDerWaalsContact C-N 3.26Å; V27-Q29 PolarHBondContact O-N 2.96Å; V27-D30 PolarHBondContact O-N 3.16Å; V27-D30 VanDerWaalsContact O-N 3.15Å; V27-E31 HydrophobicContact CG1-CG 4.01Å; V27-E31 WeakPolarHBondContact O-CB 3.4Å; V27-E31 VanDerWaalsContact O-CG 3.28Å; V27-E31 WeakPolarHBondContact O-CG 3.31Å; V27-E31 PolarHBondContact O-N 3.12Å |
| 28 | I | 74.6 | Confident | 69.4 | Low | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.046 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 171 | -72.1 | 174.8 | 0 | 0 | 0 | 110.3 | L24 W32 F62 F66 R69 | L24-I28 HydrophobicContact CD1-CD1 3.63Å; L24-I28 HydrophobicContact CD1-CG1 4.08Å; L24-I28 HydrophobicContact CG-CD1 3.74Å; L24-I28 HydrophobicContact CG-CG1 4.44Å; L24-I28 WeakPolarHBondContact O-CB 3.33Å; L24-I28 WeakPolarHBondContact O-CG1 3.14Å; L24-I28 PolarHBondContact O-N 2.98Å; I28-W32 WeakPolarHBondContact O-CB 3.26Å; I28-W32 PolarHBondContact O-N 3.41Å; I28-F62 HydrophobicContact CG2-CE2 4.09Å; I28-F62 HydrophobicContact CG2-CZ 3.71Å; I28-F66 HydrophobicContact CD1-CB 3.9Å; I28-F66 HydrophobicContact CD1-CD1 3.82Å; I28-F66 HydrophobicContact CD1-CG 3.9Å; I28-F66 HydrophobicContact CG1-CB 4.25Å; I28-F66 HydrophobicContact CG1-CD1 3.79Å; I28-F66 HydrophobicContact CG1-CD2 4.17Å; I28-F66 HydrophobicContact CG1-CE1 4.17Å; I28-F66 HydrophobicContact CG1-CG 3.8Å; I28-R69 HydrophobicContact CG2-CB 4.32Å |
| 29 | Q | 78.7 | Confident | 71.6 | Confident | 121 Ų | 121 | 53.6 Ų | 53.6 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 171.2 | -73.9 | 168.3 | -18.9 | 0 | 0 | 112.2 | N25 K26 V27 W32 N33 | N25-Q29 WeakPolarHBondContact O-CB 3.45Å; N25-Q29 WeakPolarHBondContact O-CG 3.33Å; N25-Q29 PolarHBondContact O-N 2.81Å; K26-Q29 CarbonylContact O-C 3.55Å; K26-Q29 WeakPolarHBondContact O-CA 3.33Å; K26-Q29 WeakPolarHBondContact O-CB 3.19Å; K26-Q29 PolarHBondContact O-N 3.49Å; V27-Q29 VanDerWaalsContact C-N 3.26Å; V27-Q29 PolarHBondContact O-N 2.96Å; Q29-W32 PolarHBondContact O-N 2.94Å; Q29-N33 WeakPolarHBondContact O-CB 3.31Å; Q29-N33 PolarHBondContact O-N 3.01Å; Q29-N33 PolarHBondContact O-ND2 2.61Å; Q29-N33 VanDerWaalsContact O-ND2 3.16Å; Q29-N33 PolarHBondContact O-OD1 2.56Å |
| 30 | D | 79.2 | Confident | 73.4 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 179.5 | -66.3 | -26.2 | 0 | 0 | 0 | 111.2 | K26 V27 N33 I34 | K26-D30 WeakPolarHBondContact CE-OD2 3.42Å; K26-D30 PolarHBondContact O-N 3.14Å; V27-D30 PolarHBondContact O-N 3.16Å; V27-D30 VanDerWaalsContact O-N 3.15Å; D30-N33 PolarHBondContact O-N 2.88Å; D30-I34 WeakPolarHBondContact O-CD1 3.33Å; D30-I34 VanDerWaalsContact O-CG1 3.23Å; D30-I34 WeakPolarHBondContact O-CG1 3.44Å; D30-I34 PolarHBondContact O-N 2.78Å |
| 31 | E | 75.9 | Confident | 75.4 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.023 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -45 | 173.4 | -60.2 | -34.9 | 132.4 | 0 | 0 | 110.9 | R12 R15 V27 N33 I34 I35 F62 F66 | R12-E31 WeakPolarHBondContact CB-OE2 3.49Å; R12-E31 VanDerWaalsContact CD-CD 3.48Å; R12-E31 WeakPolarHBondContact CD-OE1 3.18Å; R12-E31 WeakPolarHBondContact CD-OE2 3.33Å; R12-E31 IonicContact CZ-OE1 3Å; R12-E31 IonicContact NE-OE1 3.88Å; R12-E31 IonicContact NH1-OE1 2.7Å; R12-E31 PolarHBondContact NH1-OE1 3.14Å; R12-E31 IonicContact NH1-OE2 2.76Å; R15-E31 IonicContact CZ-OE1 3.02Å; R15-E31 IonicContact NH2-OE1 3.75Å; R15-E31 PolarHBondContact NH2-OE1 3.1Å; V27-E31 HydrophobicContact CG1-CG 4.01Å; V27-E31 WeakPolarHBondContact O-CB 3.4Å; V27-E31 VanDerWaalsContact O-CG 3.28Å; V27-E31 WeakPolarHBondContact O-CG 3.31Å; V27-E31 PolarHBondContact O-N 3.12Å; E31-N33 VanDerWaalsContact C-N 3.32Å; E31-N33 PolarHBondContact O-N 2.85Å; E31-I34 PolarHBondContact O-N 3.03Å; E31-I35 WeakPolarHBondContact O-CG1 3.3Å; E31-I35 PolarHBondContact O-N 3.1Å; E31-F62 HydrophobicContact CB-CD2 4.47Å; E31-F62 HydrophobicContact CB-CE2 4.38Å; E31-F66 HydrophobicContact CG-CE2 4.44Å |
| 32 | W | 83.5 | Confident | 77.1 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.4 | -34.8 | 179 | -175.5 | -98.6 | 0 | 0 | 0 | 112.4 | I28 Q29 I35 T36 I59 F62 L70 L78 | I28-W32 WeakPolarHBondContact O-CB 3.26Å; I28-W32 PolarHBondContact O-N 3.41Å; Q29-W32 PolarHBondContact O-N 2.94Å; W32-I35 HydrophobicContact CE3-CB 4.18Å; W32-I35 HydrophobicContact CE3-CD1 3.81Å; W32-I35 HydrophobicContact CE3-CG2 4.14Å; W32-I35 HydrophobicContact CH2-CG2 3.87Å; W32-I35 HydrophobicContact CZ3-CB 4.18Å; W32-I35 HydrophobicContact CZ3-CD1 4.01Å; W32-I35 HydrophobicContact CZ3-CG2 3.62Å; W32-I35 PolarHBondContact O-N 2.93Å; W32-T36 PolarHBondContact NE1-OG1 3.2Å; W32-T36 VanDerWaalsContact O-CB 3.28Å; W32-T36 WeakPolarHBondContact O-CB 3.32Å; W32-T36 PolarHBondContact O-N 3.44Å; W32-T36 PolarHBondContact O-OG1 2.71Å; W32-I59 HydrophobicContact CH2-CG1 4.3Å; W32-I59 HydrophobicContact CH2-CG2 4.34Å; W32-I59 HydrophobicContact CZ3-CG1 4.26Å; W32-I59 HydrophobicContact CZ3-CG2 4.16Å; W32-F62 HydrophobicContact CB-CE2 3.87Å; W32-F62 HydrophobicContact CB-CZ 3.89Å; W32-F62 HydrophobicContact CD2-CE1 4.48Å; W32-F62 HydrophobicContact CD2-CZ 4.22Å; W32-F62 AromaticContact CE3-CD1 3.94Å; W32-F62 HydrophobicContact CE3-CD1 3.94Å; W32-F62 HydrophobicContact CE3-CD2 4.23Å; W32-F62 AromaticContact CE3-CE1 3.69Å; W32-F62 HydrophobicContact CE3-CE1 3.69Å; W32-F62 AromaticContact CE3-CE2 3.98Å; W32-F62 HydrophobicContact CE3-CE2 3.98Å; W32-F62 HydrophobicContact CE3-CG 4.22Å; W32-F62 AromaticContact CE3-CZ 3.69Å; W32-F62 HydrophobicContact CE3-CZ 3.69Å; W32-F62 HydrophobicContact CG-CZ 4.3Å; W32-F62 HydrophobicContact CZ3-CD1 4.25Å; W32-F62 HydrophobicContact CZ3-CE1 4.33Å; W32-L70 HydrophobicContact CD2-CD2 3.62Å; W32-L70 HydrophobicContact CE3-CD2 3.43Å; W32-L70 VanDerWaalsContact CE3-CD2 3.43Å; W32-L70 HydrophobicContact CH2-CD2 3.72Å; W32-L70 HydrophobicContact CZ2-CD2 3.85Å; W32-L70 HydrophobicContact CZ3-CD2 3.47Å; W32-L70 VanDerWaalsContact CZ3-CD2 3.47Å; W32-L78 HydrophobicContact CH2-CD1 3.64Å; W32-L78 HydrophobicContact CH2-CD2 4.34Å; W32-L78 HydrophobicContact CH2-CG 4.47Å; W32-L78 HydrophobicContact CZ2-CD1 4.06Å |
| 33 | N | 83.7 | Confident | 78.4 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.8 | -35.2 | 174.1 | -70.9 | -17.5 | 0 | 0 | 0 | 111 | Q29 D30 E31 T36 Q37 | Q29-N33 WeakPolarHBondContact O-CB 3.31Å; Q29-N33 PolarHBondContact O-N 3.01Å; Q29-N33 PolarHBondContact O-ND2 2.61Å; Q29-N33 VanDerWaalsContact O-ND2 3.16Å; Q29-N33 PolarHBondContact O-OD1 2.56Å; D30-N33 PolarHBondContact O-N 2.88Å; E31-N33 VanDerWaalsContact C-N 3.32Å; E31-N33 PolarHBondContact O-N 2.85Å; N33-T36 PolarHBondContact O-N 3.42Å; N33-Q37 VanDerWaalsContact O-CB 3.28Å; N33-Q37 WeakPolarHBondContact O-CB 3.24Å; N33-Q37 PolarHBondContact O-N 3.36Å |
| 34 | I | 83.5 | Confident | 79.3 | Confident | 30 Ų | 30 | 51.1 Ų | 51.1 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 171.9 | -66.2 | 161.7 | 0 | 0 | 0 | 110.6 | S8 M9 D30 E31 T36 Q37 W38 | S8-I34 WeakPolarHBondContact OG-CG2 3.37Å; M9-I34 HydrophobicContact CE-CG2 4.32Å; M9-I34 HydrophobicContact CG-CG2 3.67Å; M9-I34 HydrophobicContact SD-CG2 3.93Å; D30-I34 WeakPolarHBondContact O-CD1 3.33Å; D30-I34 VanDerWaalsContact O-CG1 3.23Å; D30-I34 WeakPolarHBondContact O-CG1 3.44Å; D30-I34 PolarHBondContact O-N 2.78Å; E31-I34 PolarHBondContact O-N 3.03Å; I34-T36 VanDerWaalsContact C-N 3.32Å; I34-T36 PolarHBondContact O-N 2.92Å; I34-Q37 PolarHBondContact O-N 3.25Å; I34-W38 WeakPolarHBondContact O-CB 3.24Å; I34-W38 PolarHBondContact O-N 2.54Å |
| 35 | I | 84.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 173.3 | -66.7 | 165.1 | 0 | 0 | 0 | 110.6 | M9 E31 W32 W38 L39 T58 I59 F62 | M9-I35 HydrophobicContact CE-CD1 4.2Å; M9-I35 HydrophobicContact CE-CG1 3.6Å; M9-I35 HydrophobicContact SD-CB 4.24Å; M9-I35 HydrophobicContact SD-CD1 4.45Å; M9-I35 HydrophobicContact SD-CG1 3.33Å; M9-I35 WeakPolarHBondContact SD-CG1 3.17Å; E31-I35 WeakPolarHBondContact O-CG1 3.3Å; E31-I35 PolarHBondContact O-N 3.1Å; W32-I35 HydrophobicContact CE3-CB 4.18Å; W32-I35 HydrophobicContact CE3-CD1 3.81Å; W32-I35 HydrophobicContact CE3-CG2 4.14Å; W32-I35 HydrophobicContact CH2-CG2 3.87Å; W32-I35 HydrophobicContact CZ3-CB 4.18Å; W32-I35 HydrophobicContact CZ3-CD1 4.01Å; W32-I35 HydrophobicContact CZ3-CG2 3.62Å; W32-I35 PolarHBondContact O-N 2.93Å; I35-W38 PolarHBondContact O-N 3.46Å; I35-L39 VanDerWaalsContact O-CB 3.28Å; I35-L39 WeakPolarHBondContact O-CB 3.42Å; I35-L39 PolarHBondContact O-N 3.13Å; I35-T58 HydrophobicContact CG1-CG2 4.39Å; I35-I59 HydrophobicContact CG2-CD1 4.32Å; I35-I59 HydrophobicContact CG2-CG1 3.57Å; I35-F62 HydrophobicContact CD1-CB 3.74Å; I35-F62 HydrophobicContact CD1-CD2 3.47Å; I35-F62 VanDerWaalsContact CD1-CD2 3.47Å; I35-F62 HydrophobicContact CD1-CE2 4.24Å; I35-F62 HydrophobicContact CD1-CG 3.75Å |
| 36 | T | 84.6 | Confident | 79.7 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | -179 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | W32 N33 I34 L39 C40 | W32-T36 PolarHBondContact NE1-OG1 3.2Å; W32-T36 VanDerWaalsContact O-CB 3.28Å; W32-T36 WeakPolarHBondContact O-CB 3.32Å; W32-T36 PolarHBondContact O-N 3.44Å; W32-T36 PolarHBondContact O-OG1 2.71Å; N33-T36 PolarHBondContact O-N 3.42Å; I34-T36 VanDerWaalsContact C-N 3.32Å; I34-T36 PolarHBondContact O-N 2.92Å; T36-L39 PolarHBondContact O-N 3.03Å; T36-C40 WeakPolarHBondContact O-CB 3.27Å; T36-C40 PolarHBondContact O-N 3.06Å; T36-C40 PolarHBondContact O-SG 3.34Å |
| 37 | Q | 83.9 | Confident | 79.3 | Confident | 99 Ų | 99 | 50 Ų | 50 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 176.9 | -173.2 | 63.6 | 53.4 | 0 | 0 | 110.5 | N33 I34 L39 C40 D41 | N33-Q37 VanDerWaalsContact O-CB 3.28Å; N33-Q37 WeakPolarHBondContact O-CB 3.24Å; N33-Q37 PolarHBondContact O-N 3.36Å; I34-Q37 PolarHBondContact O-N 3.25Å; Q37-L39 VanDerWaalsContact C-N 3.35Å; Q37-L39 PolarHBondContact O-N 3.23Å; Q37-C40 CarbonylContact O-C 3.35Å; Q37-C40 WeakPolarHBondContact O-CB 3.45Å; Q37-C40 PolarHBondContact O-N 3.14Å; Q37-C40 VanDerWaalsContact O-N 3.13Å; Q37-D41 PolarHBondContact NE2-OD1 3.02Å; Q37-D41 WeakPolarHBondContact O-CB 3.44Å; Q37-D41 PolarHBondContact O-N 2.72Å |
| 38 | W | 83.1 | Confident | 78.8 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 177.4 | -178.5 | 24.4 | 0 | 0 | 0 | 112.2 | M9 I34 I35 D41 V42 P54 V55 T58 | M9-W38 HydrophobicContact CB-CZ3 4.29Å; M9-W38 HydrophobicContact CG-CE3 3.68Å; M9-W38 HydrophobicContact CG-CZ3 3.93Å; M9-W38 HydrophobicContact SD-CE3 3.85Å; M9-W38 HydrophobicContact SD-CZ3 4.15Å; I34-W38 WeakPolarHBondContact O-CB 3.24Å; I34-W38 PolarHBondContact O-N 2.54Å; I35-W38 PolarHBondContact O-N 3.46Å; W38-D41 PolarHBondContact O-N 3.44Å; W38-V42 WeakPolarHBondContact O-CB 3.39Å; W38-V42 VanDerWaalsContact O-CG2 3.31Å; W38-V42 WeakPolarHBondContact O-CG2 3.35Å; W38-V42 PolarHBondContact O-N 3.47Å; W38-P54 HydrophobicContact CH2-CB 3.89Å; W38-P54 HydrophobicContact CH2-CG 4.26Å; W38-P54 HydrophobicContact CZ2-CB 4.11Å; W38-P54 HydrophobicContact CZ2-CG 3.97Å; W38-V55 HydrophobicContact CD2-CG2 3.72Å; W38-V55 HydrophobicContact CE3-CG2 4.04Å; W38-V55 HydrophobicContact CG-CG2 4.22Å; W38-V55 HydrophobicContact CH2-CG2 4.15Å; W38-V55 HydrophobicContact CZ2-CG2 3.8Å; W38-V55 HydrophobicContact CZ3-CG2 4.25Å; W38-T58 HydrophobicContact CZ3-CG2 4.23Å |
| 39 | L | 84.8 | Confident | 78.1 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 172 | 178.9 | 62.2 | 0 | 0 | 0 | 111.8 | I35 T36 Q37 L43 I52 V55 L78 L81 | I35-L39 VanDerWaalsContact O-CB 3.28Å; I35-L39 WeakPolarHBondContact O-CB 3.42Å; I35-L39 PolarHBondContact O-N 3.13Å; T36-L39 PolarHBondContact O-N 3.03Å; Q37-L39 VanDerWaalsContact C-N 3.35Å; Q37-L39 PolarHBondContact O-N 3.23Å; L39-L43 HydrophobicContact CD1-CD1 4.02Å; L39-L43 HydrophobicContact CD1-CG 4.29Å; L39-L43 HydrophobicContact CG-CD1 3.98Å; L39-L43 WeakPolarHBondContact O-CB 3.45Å; L39-L43 WeakPolarHBondContact O-CD1 3.38Å; L39-L43 WeakPolarHBondContact O-CG 3.5Å; L39-L43 PolarHBondContact O-N 3.02Å; L39-I52 HydrophobicContact CD1-CD1 3.62Å; L39-V55 HydrophobicContact CB-CG1 4.08Å; L39-V55 HydrophobicContact CD1-CG1 4.05Å; L39-L78 HydrophobicContact CD2-CD2 4.1Å; L39-L81 HydrophobicContact CD1-CD1 4.17Å; L39-L81 HydrophobicContact CD2-CD1 4.42Å |
| 40 | C | 83.8 | Confident | 77.4 | Confident | 66 Ų | 66 | 55.5 Ų | 55.5 | 45% | 0.446 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 175.2 | -73.5 | 0 | 0 | 0 | 0 | 112.6 | T36 Q37 L43 S44 | T36-C40 WeakPolarHBondContact O-CB 3.27Å; T36-C40 PolarHBondContact O-N 3.06Å; T36-C40 PolarHBondContact O-SG 3.34Å; Q37-C40 CarbonylContact O-C 3.35Å; Q37-C40 WeakPolarHBondContact O-CB 3.45Å; Q37-C40 PolarHBondContact O-N 3.14Å; Q37-C40 VanDerWaalsContact O-N 3.13Å; C40-L43 PolarHBondContact O-N 3.06Å; C40-S44 VanDerWaalsContact O-CB 3.3Å; C40-S44 WeakPolarHBondContact O-CB 3.42Å; C40-S44 PolarHBondContact O-N 2.95Å; C40-S44 PolarHBondContact O-OG 3.05Å |
| 41 | D | 82.3 | Confident | 77.1 | Confident | 54 Ų | 54 | 56.9 Ų | 56.9 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63 | -48.6 | 177.3 | -65.8 | -18 | 0 | 0 | 0 | 109.6 | Q37 W38 L43 S44 S45 | Q37-D41 PolarHBondContact NE2-OD1 3.02Å; Q37-D41 WeakPolarHBondContact O-CB 3.44Å; Q37-D41 PolarHBondContact O-N 2.72Å; W38-D41 PolarHBondContact O-N 3.44Å; D41-L43 PolarHBondContact O-N 3.19Å; D41-S44 WeakPolarHBondContact CA-OG 3.35Å; D41-S44 CarbonylContact O-C 3.38Å; D41-S44 WeakPolarHBondContact O-CA 3.3Å; D41-S44 PolarHBondContact O-N 2.96Å; D41-S44 PolarHBondContact O-OG 3.42Å; D41-S45 PolarHBondContact O-N 3.36Å |
| 42 | V | 81.9 | Confident | 77.3 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175.6 | 168.2 | 0 | 0 | 0 | 0 | 112.7 | W38 S44 S45 E51 I52 V55 | W38-V42 WeakPolarHBondContact O-CB 3.39Å; W38-V42 VanDerWaalsContact O-CG2 3.31Å; W38-V42 WeakPolarHBondContact O-CG2 3.35Å; W38-V42 PolarHBondContact O-N 3.47Å; V42-S44 PolarHBondContact O-N 3.35Å; V42-S45 PolarHBondContact O-OG 3.12Å; V42-S45 VanDerWaalsContact O-OG 3.08Å; V42-E51 HydrophobicContact CB-CB 4.35Å; V42-E51 HydrophobicContact CG1-CB 3.82Å; V42-E51 HydrophobicContact CG2-CB 3.62Å; V42-I52 HydrophobicContact CG1-CB 4.49Å; V42-I52 HydrophobicContact CG1-CD1 4.34Å; V42-V55 HydrophobicContact CG2-CG2 4.25Å |
| 43 | L | 78.9 | Confident | 77.2 | Confident | 80 Ų | 80 | 57.5 Ų | 57.5 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71 | -13.9 | 173.8 | -70 | 169.9 | 0 | 0 | 0 | 112.9 | L39 C40 D41 L81 | L39-L43 HydrophobicContact CD1-CD1 4.02Å; L39-L43 HydrophobicContact CD1-CG 4.29Å; L39-L43 HydrophobicContact CG-CD1 3.98Å; L39-L43 WeakPolarHBondContact O-CB 3.45Å; L39-L43 WeakPolarHBondContact O-CD1 3.38Å; L39-L43 WeakPolarHBondContact O-CG 3.5Å; L39-L43 PolarHBondContact O-N 3.02Å; C40-L43 PolarHBondContact O-N 3.06Å; D41-L43 PolarHBondContact O-N 3.19Å; L43-L81 HydrophobicContact CD1-CD1 4.03Å |
| 44 | S | 79.3 | Confident | 77 | Confident | 94 Ų | 94 | 55 Ų | 55 | 66% | 0.657 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -101 | -21.7 | 177.6 | 77.7 | 0 | 0 | 0 | 0 | 114.3 | C40 D41 V42 | C40-S44 VanDerWaalsContact O-CB 3.3Å; C40-S44 WeakPolarHBondContact O-CB 3.42Å; C40-S44 PolarHBondContact O-N 2.95Å; C40-S44 PolarHBondContact O-OG 3.05Å; D41-S44 WeakPolarHBondContact CA-OG 3.35Å; D41-S44 CarbonylContact O-C 3.38Å; D41-S44 WeakPolarHBondContact O-CA 3.3Å; D41-S44 PolarHBondContact O-N 2.96Å; D41-S44 PolarHBondContact O-OG 3.42Å; V42-S44 PolarHBondContact O-N 3.35Å |
| 45 | S | 76.6 | Confident | 77.1 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 42% | 0.42 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.6 | -31.8 | 179.4 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | D41 V42 D47 E51 | D41-S45 PolarHBondContact O-N 3.36Å; V42-S45 PolarHBondContact O-OG 3.12Å; V42-S45 VanDerWaalsContact O-OG 3.08Å; S45-D47 VanDerWaalsContact C-N 3.33Å; S45-E51 PolarHBondContact OG-OE2 3.42Å |
| 46 | G | 66.2 | Low | 77.2 | Confident | 50 Ų | 50 | 53.5 Ų | 53.5 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 91.5 | -16.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | I48 | G46-I48 PolarHBondContact O-N 3Š|
| 47 | D | 64.9 | Low | 77.1 | Confident | 113 Ų | 113 | 53.1 Ų | 53.1 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | trans | -78.6 | 48.2 | 175.4 | -71.1 | -43.2 | 0 | 0 | 0 | 112.2 | S45 M49 C50 E51 | S45-D47 VanDerWaalsContact C-N 3.33Å; D47-M49 PolarHBondContact O-N 3.12Å; D47-M49 VanDerWaalsContact O-N 3.13Å; D47-C50 PolarHBondContact O-N 3.04Å; D47-E51 PolarHBondContact O-N 3.31Å | ||
| 48 | I | 61.7 | Low | 77 | Confident | 70 Ų | 70 | 49 Ų | 49 | 36% | 0.359 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.1 | -168.4 | -72 | 171.4 | 0 | 0 | 0 | 113.4 | G46 I52 Y85 | G46-I48 PolarHBondContact O-N 3Å; I48-I52 WeakPolarHBondContact O-CB 3.45Å; I48-I52 VanDerWaalsContact O-CG2 3.32Å; I48-I52 WeakPolarHBondContact O-CG2 3.39Å; I48-Y85 HydrophobicContact CG2-CE1 4.12Å; I48-Y85 VanDerWaalsContact CG2-OH 3.31Å; I48-Y85 WeakPolarHBondContact CG2-OH 3.3Å |
| 49 | M | 60.2 | Low | 77.1 | Confident | 81 Ų | 81 | 47.4 Ų | 47.4 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -47 | -176.4 | -64.9 | -57.2 | -151.2 | 0 | 0 | 113 | D47 I91 | D47-M49 PolarHBondContact O-N 3.12Å; D47-M49 VanDerWaalsContact O-N 3.13Å; M49-I91 HydrophobicContact CE-CB 4.5Å; M49-I91 HydrophobicContact CE-CG1 4.25Å; M49-I91 HydrophobicContact SD-CD1 4.24Å; M49-I91 HydrophobicContact SD-CG1 3.91Å |
| 50 | C | 63.7 | Low | 77 | Confident | 106 Ų | 106 | 47.1 Ų | 47.1 | 72% | 0.716 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -42.4 | -170 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | D47 | D47-C50 PolarHBondContact O-N 3.04Š|
| 51 | E | 72.5 | Confident | 76.7 | Confident | 85 Ų | 85 | 49.3 Ų | 49.3 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -83.6 | -17.7 | -170.9 | -61.5 | -158.3 | 116 | 0 | 0 | 114.3 | V42 S45 D47 N53 P54 V55 | V42-E51 HydrophobicContact CB-CB 4.35Å; V42-E51 HydrophobicContact CG1-CB 3.82Å; V42-E51 HydrophobicContact CG2-CB 3.62Å; S45-E51 PolarHBondContact OG-OE2 3.42Å; D47-E51 PolarHBondContact O-N 3.31Å; E51-N53 PolarHBondContact O-N 3.01Å; E51-P54 VanDerWaalsContact O-CD 3.29Å; E51-P54 WeakPolarHBondContact O-CD 3.49Å; E51-P54 VanDerWaalsContact O-CG 3.31Å; E51-P54 WeakPolarHBondContact O-CG 3.35Å; E51-V55 WeakPolarHBondContact O-CG2 3.31Å |
| 52 | I | 80.2 | Confident | 76.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.4 | -31.9 | -177 | -163.4 | 68 | 0 | 0 | 0 | 113.5 | L39 V42 I48 V55 F56 Y85 V95 | L39-I52 HydrophobicContact CD1-CD1 3.62Å; V42-I52 HydrophobicContact CG1-CB 4.49Å; V42-I52 HydrophobicContact CG1-CD1 4.34Å; I48-I52 WeakPolarHBondContact O-CB 3.45Å; I48-I52 VanDerWaalsContact O-CG2 3.32Å; I48-I52 WeakPolarHBondContact O-CG2 3.39Å; I52-V55 HydrophobicContact CD1-CB 4.46Å; I52-V55 WeakPolarHBondContact O-CA 3.41Å; I52-V55 VanDerWaalsContact O-CB 3.29Å; I52-V55 WeakPolarHBondContact O-CB 3.35Å; I52-V55 PolarHBondContact O-N 3.22Å; I52-F56 HydrophobicContact CD1-CD1 4.33Å; I52-F56 HydrophobicContact CD1-CE1 3.75Å; I52-F56 HydrophobicContact CD1-CZ 4.06Å; I52-F56 HydrophobicContact CG1-CD1 4.01Å; I52-F56 HydrophobicContact CG1-CD2 4.27Å; I52-F56 HydrophobicContact CG1-CE1 3.48Å; I52-F56 VanDerWaalsContact CG1-CE1 3.48Å; I52-F56 HydrophobicContact CG1-CE2 3.77Å; I52-F56 HydrophobicContact CG1-CG 4.38Å; I52-F56 HydrophobicContact CG1-CZ 3.36Å; I52-F56 HydrophobicContact CG2-CE2 4.38Å; I52-F56 PolarHBondContact O-N 3.38Å; I52-Y85 HydrophobicContact CB-CE1 4.05Å; I52-Y85 HydrophobicContact CG1-CD1 4.47Å; I52-Y85 HydrophobicContact CG1-CE1 3.76Å; I52-Y85 HydrophobicContact CG1-CE2 4.43Å; I52-Y85 WeakPolarHBondContact CG1-OH 3.47Å; I52-Y85 HydrophobicContact CG2-CD1 4.34Å; I52-Y85 HydrophobicContact CG2-CE1 3.71Å; I52-V95 HydrophobicContact CG2-CG1 3.76Å; I52-V95 HydrophobicContact CG2-CG2 4.23Å |
| 53 | N | 80.6 | Confident | 76.4 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | -173.2 | -156 | 1.4 | 0 | 0 | 0 | 113.1 | E51 V55 F56 T57 V95 N98 | E51-N53 PolarHBondContact O-N 3.01Å; N53-V55 VanDerWaalsContact C-N 3.28Å; N53-V55 PolarHBondContact O-N 2.97Å; N53-F56 PolarHBondContact O-N 3.39Å; N53-T57 PolarHBondContact O-N 2.99Å; N53-T57 PolarHBondContact O-OG1 3.29Å; N53-V95 HydrophobicContact CB-CG2 4.01Å; N53-N98 PolarHBondContact OD1-ND2 3.16Å |
| 54 | P | 81.4 | Confident | 76.1 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 25% | 0.253 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.4 | -22.6 | 172 | 30 | -38.5 | 0 | 0 | 0 | 113.6 | W38 E51 T57 T58 | W38-P54 HydrophobicContact CH2-CB 3.89Å; W38-P54 HydrophobicContact CH2-CG 4.26Å; W38-P54 HydrophobicContact CZ2-CB 4.11Å; W38-P54 HydrophobicContact CZ2-CG 3.97Å; E51-P54 VanDerWaalsContact O-CD 3.29Å; E51-P54 WeakPolarHBondContact O-CD 3.49Å; E51-P54 VanDerWaalsContact O-CG 3.31Å; E51-P54 WeakPolarHBondContact O-CG 3.35Å; P54-T57 WeakPolarHBondContact CA-OG1 3.43Å; P54-T57 PolarHBondContact O-OG1 3.27Å; P54-T58 VanDerWaalsContact O-CB 3.27Å; P54-T58 WeakPolarHBondContact O-CB 3.48Å; P54-T58 PolarHBondContact O-N 2.95Å; P54-T58 VanDerWaalsContact O-N 3.13Å; P54-T58 PolarHBondContact O-OG1 3.14Å |
| 55 | V | 84.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.3 | -48.2 | 172.2 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | W38 L39 V42 E51 I52 N53 T58 I59 | W38-V55 HydrophobicContact CD2-CG2 3.72Å; W38-V55 HydrophobicContact CE3-CG2 4.04Å; W38-V55 HydrophobicContact CG-CG2 4.22Å; W38-V55 HydrophobicContact CH2-CG2 4.15Å; W38-V55 HydrophobicContact CZ2-CG2 3.8Å; W38-V55 HydrophobicContact CZ3-CG2 4.25Å; L39-V55 HydrophobicContact CB-CG1 4.08Å; L39-V55 HydrophobicContact CD1-CG1 4.05Å; V42-V55 HydrophobicContact CG2-CG2 4.25Å; E51-V55 WeakPolarHBondContact O-CG2 3.31Å; I52-V55 HydrophobicContact CD1-CB 4.46Å; I52-V55 WeakPolarHBondContact O-CA 3.41Å; I52-V55 VanDerWaalsContact O-CB 3.29Å; I52-V55 WeakPolarHBondContact O-CB 3.35Å; I52-V55 PolarHBondContact O-N 3.22Å; N53-V55 VanDerWaalsContact C-N 3.28Å; N53-V55 PolarHBondContact O-N 2.97Å; V55-T58 PolarHBondContact O-N 3.23Å; V55-T58 VanDerWaalsContact O-N 3.13Å; V55-I59 HydrophobicContact CG1-CD1 3.93Å; V55-I59 HydrophobicContact CG1-CG1 4.43Å; V55-I59 WeakPolarHBondContact O-CG1 3.32Å; V55-I59 PolarHBondContact O-N 3.19Å |
| 56 | F | 86.2 | Confident | 75.2 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -52.1 | 178 | -70.5 | -15.5 | 0 | 0 | 0 | 112 | I52 N53 T58 I59 Q60 L81 Y85 V95 N98 A99 L102 | I52-F56 HydrophobicContact CD1-CD1 4.33Å; I52-F56 HydrophobicContact CD1-CE1 3.75Å; I52-F56 HydrophobicContact CD1-CZ 4.06Å; I52-F56 HydrophobicContact CG1-CD1 4.01Å; I52-F56 HydrophobicContact CG1-CD2 4.27Å; I52-F56 HydrophobicContact CG1-CE1 3.48Å; I52-F56 VanDerWaalsContact CG1-CE1 3.48Å; I52-F56 HydrophobicContact CG1-CE2 3.77Å; I52-F56 HydrophobicContact CG1-CG 4.38Å; I52-F56 HydrophobicContact CG1-CZ 3.36Å; I52-F56 HydrophobicContact CG2-CE2 4.38Å; I52-F56 PolarHBondContact O-N 3.38Å; N53-F56 PolarHBondContact O-N 3.39Å; F56-T58 PolarHBondContact O-N 3.41Å; F56-I59 HydrophobicContact CD1-CD1 4.45Å; F56-I59 PolarHBondContact O-N 2.85Å; F56-I59 VanDerWaalsContact O-N 3.1Å; F56-Q60 WeakPolarHBondContact O-CG 3.35Å; F56-Q60 PolarHBondContact O-N 3.38Å; F56-L81 HydrophobicContact CE1-CD2 3.43Å; F56-L81 VanDerWaalsContact CE1-CD2 3.43Å; F56-L81 HydrophobicContact CZ-CD2 3.6Å; F56-Y85 HydrophobicContact CE2-CD1 4.04Å; F56-Y85 HydrophobicContact CE2-CG 4.14Å; F56-Y85 AromaticContact CZ-CD1 3.96Å; F56-Y85 HydrophobicContact CZ-CD1 3.96Å; F56-Y85 AromaticContact CZ-CD2 3.99Å; F56-Y85 HydrophobicContact CZ-CD2 3.99Å; F56-Y85 HydrophobicContact CZ-CE1 4.31Å; F56-Y85 HydrophobicContact CZ-CE2 4.25Å; F56-Y85 AromaticContact CZ-CG 3.79Å; F56-Y85 HydrophobicContact CZ-CG 3.79Å; F56-V95 HydrophobicContact CE2-CG1 4.21Å; F56-N98 HydrophobicContact CB-CB 4.31Å; F56-A99 HydrophobicContact CD2-CB 4.02Å; F56-A99 HydrophobicContact CE2-CB 3.7Å; F56-A99 HydrophobicContact CZ-CB 4.48Å; F56-L102 HydrophobicContact CB-CD2 4.01Å; F56-L102 HydrophobicContact CD1-CD2 3.7Å; F56-L102 HydrophobicContact CE1-CD2 4.44Å; F56-L102 HydrophobicContact CG-CD2 4.01Å |
| 57 | T | 81.8 | Confident | 75.5 | Confident | 34 Ų | 34 | 46.2 Ų | 46.2 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -28.5 | 177.4 | 55 | 0 | 0 | 0 | 0 | 112.6 | N53 P54 R61 N98 | N53-T57 PolarHBondContact O-N 2.99Å; N53-T57 PolarHBondContact O-OG1 3.29Å; P54-T57 WeakPolarHBondContact CA-OG1 3.43Å; P54-T57 PolarHBondContact O-OG1 3.27Å; T57-R61 VanDerWaalsContact O-CG 3.28Å; T57-R61 WeakPolarHBondContact O-CG 3.17Å; T57-R61 PolarHBondContact O-N 2.91Å; T57-N98 HydrophobicContact CG2-CB 4.19Å; T57-N98 WeakPolarHBondContact CG2-OD1 3.38Å |
| 58 | T | 82.5 | Confident | 75.9 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75 | -38.3 | 173.3 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | M9 I35 W38 P54 V55 F56 Q60 R61 F62 | M9-T58 HydrophobicContact CE-CG2 3.94Å; M9-T58 HydrophobicContact SD-CG2 3.64Å; I35-T58 HydrophobicContact CG1-CG2 4.39Å; W38-T58 HydrophobicContact CZ3-CG2 4.23Å; P54-T58 VanDerWaalsContact O-CB 3.27Å; P54-T58 WeakPolarHBondContact O-CB 3.48Å; P54-T58 PolarHBondContact O-N 2.95Å; P54-T58 VanDerWaalsContact O-N 3.13Å; P54-T58 PolarHBondContact O-OG1 3.14Å; V55-T58 PolarHBondContact O-N 3.23Å; V55-T58 VanDerWaalsContact O-N 3.13Å; F56-T58 PolarHBondContact O-N 3.41Å; T58-Q60 VanDerWaalsContact C-N 3.34Å; T58-R61 PolarHBondContact O-N 3.24Å; T58-F62 PolarHBondContact O-N 3.4Å |
| 59 | I | 85.5 | Confident | 76.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 171.1 | -62.7 | 158.7 | 0 | 0 | 0 | 110.1 | W32 I35 V55 F56 R61 F62 I63 L78 L102 | W32-I59 HydrophobicContact CH2-CG1 4.3Å; W32-I59 HydrophobicContact CH2-CG2 4.34Å; W32-I59 HydrophobicContact CZ3-CG1 4.26Å; W32-I59 HydrophobicContact CZ3-CG2 4.16Å; I35-I59 HydrophobicContact CG2-CD1 4.32Å; I35-I59 HydrophobicContact CG2-CG1 3.57Å; V55-I59 HydrophobicContact CG1-CD1 3.93Å; V55-I59 HydrophobicContact CG1-CG1 4.43Å; V55-I59 WeakPolarHBondContact O-CG1 3.32Å; V55-I59 PolarHBondContact O-N 3.19Å; F56-I59 HydrophobicContact CD1-CD1 4.45Å; F56-I59 PolarHBondContact O-N 2.85Å; F56-I59 VanDerWaalsContact O-N 3.1Å; I59-R61 VanDerWaalsContact C-N 3.35Å; I59-R61 PolarHBondContact O-N 3.15Å; I59-F62 WeakPolarHBondContact O-CB 3.36Å; I59-F62 PolarHBondContact O-N 3.46Å; I59-I63 HydrophobicContact CG2-CD1 4.06Å; I59-I63 WeakPolarHBondContact O-CG1 3.5Å; I59-I63 PolarHBondContact O-N 3.26Å; I59-L78 HydrophobicContact CD1-CD2 3.94Å; I59-L78 HydrophobicContact CG2-CD1 4.35Å; I59-L102 HydrophobicContact CB-CD1 4.04Å; I59-L102 HydrophobicContact CB-CD2 4.14Å; I59-L102 HydrophobicContact CD1-CD2 4.15Å; I59-L102 HydrophobicContact CG2-CD1 3.56Å; I59-L102 HydrophobicContact CG2-CD2 4.18Å |
| 60 | Q | 82.2 | Confident | 77.4 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 174.3 | -65.1 | -176 | 15.6 | 0 | 0 | 111.8 | F56 T58 F62 I63 N64 N98 E101 L102 K105 | F56-Q60 WeakPolarHBondContact O-CG 3.35Å; F56-Q60 PolarHBondContact O-N 3.38Å; T58-Q60 VanDerWaalsContact C-N 3.34Å; Q60-F62 PolarHBondContact O-N 3.04Å; Q60-I63 PolarHBondContact O-N 3.22Å; Q60-N64 PolarHBondContact O-N 3.47Å; Q60-N64 PolarHBondContact O-OD1 3.33Å; Q60-N98 PolarHBondContact NE2-O 2.95Å; Q60-N98 VanDerWaalsContact NE2-O 3.14Å; Q60-E101 PolarHBondContact NE2-OE2 3.19Å; Q60-E101 VanDerWaalsContact OE1-CD 3.22Å; Q60-E101 PolarHBondContact OE1-OE1 3.19Å; Q60-E101 PolarHBondContact OE1-OE2 2.83Å; Q60-L102 HydrophobicContact CG-CB 3.85Å; Q60-L102 HydrophobicContact CG-CD1 3.92Å; Q60-L102 HydrophobicContact CG-CG 4.42Å; Q60-K105 HydrophobicContact CB-CD 3.93Å; Q60-K105 HydrophobicContact CG-CD 3.98Å |
| 61 | R | 77 | Confident | 78.2 | Confident | 112 Ų | 112 | 39.7 Ų | 39.7 | 42% | 0.423 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 175.1 | -74 | 169.7 | -175.5 | -165.9 | 2.4 | 111.8 | T57 T58 I59 I63 N64 I65 | T57-R61 VanDerWaalsContact O-CG 3.28Å; T57-R61 WeakPolarHBondContact O-CG 3.17Å; T57-R61 PolarHBondContact O-N 2.91Å; T58-R61 PolarHBondContact O-N 3.24Å; I59-R61 VanDerWaalsContact C-N 3.35Å; I59-R61 PolarHBondContact O-N 3.15Å; R61-I63 VanDerWaalsContact C-N 3.33Å; R61-I63 PolarHBondContact O-N 3.3Å; R61-N64 PolarHBondContact O-N 3.22Å; R61-I65 WeakPolarHBondContact O-CB 3.43Å; R61-I65 WeakPolarHBondContact O-CD1 3.45Å; R61-I65 VanDerWaalsContact O-CG1 3.24Å; R61-I65 WeakPolarHBondContact O-CG1 3.46Å; R61-I65 PolarHBondContact O-N 2.8Å |
| 62 | F | 81 | Confident | 78.5 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 174.1 | 174.9 | -81.6 | 0 | 0 | 0 | 111.8 | I28 E31 W32 I35 T58 I59 Q60 I65 F66 L70 | I28-F62 HydrophobicContact CG2-CE2 4.09Å; I28-F62 HydrophobicContact CG2-CZ 3.71Å; E31-F62 HydrophobicContact CB-CD2 4.47Å; E31-F62 HydrophobicContact CB-CE2 4.38Å; W32-F62 HydrophobicContact CB-CE2 3.87Å; W32-F62 HydrophobicContact CB-CZ 3.89Å; W32-F62 HydrophobicContact CD2-CE1 4.48Å; W32-F62 HydrophobicContact CD2-CZ 4.22Å; W32-F62 AromaticContact CE3-CD1 3.94Å; W32-F62 HydrophobicContact CE3-CD1 3.94Å; W32-F62 HydrophobicContact CE3-CD2 4.23Å; W32-F62 AromaticContact CE3-CE1 3.69Å; W32-F62 HydrophobicContact CE3-CE1 3.69Å; W32-F62 AromaticContact CE3-CE2 3.98Å; W32-F62 HydrophobicContact CE3-CE2 3.98Å; W32-F62 HydrophobicContact CE3-CG 4.22Å; W32-F62 AromaticContact CE3-CZ 3.69Å; W32-F62 HydrophobicContact CE3-CZ 3.69Å; W32-F62 HydrophobicContact CG-CZ 4.3Å; W32-F62 HydrophobicContact CZ3-CD1 4.25Å; W32-F62 HydrophobicContact CZ3-CE1 4.33Å; I35-F62 HydrophobicContact CD1-CB 3.74Å; I35-F62 HydrophobicContact CD1-CD2 3.47Å; I35-F62 VanDerWaalsContact CD1-CD2 3.47Å; I35-F62 HydrophobicContact CD1-CE2 4.24Å; I35-F62 HydrophobicContact CD1-CG 3.75Å; T58-F62 PolarHBondContact O-N 3.4Å; I59-F62 WeakPolarHBondContact O-CB 3.36Å; I59-F62 PolarHBondContact O-N 3.46Å; Q60-F62 PolarHBondContact O-N 3.04Å; F62-I65 PolarHBondContact O-N 3.38Å; F62-F66 AromaticContact CD2-CD2 3.54Å; F62-F66 HydrophobicContact CD2-CD2 3.54Å; F62-F66 AromaticContact CD2-CE2 3.92Å; F62-F66 HydrophobicContact CD2-CE2 3.92Å; F62-F66 AromaticContact CE2-CD2 3.75Å; F62-F66 HydrophobicContact CE2-CD2 3.75Å; F62-F66 HydrophobicContact CE2-CE2 4.23Å; F62-F66 HydrophobicContact CG-CD2 4.01Å; F62-F66 HydrophobicContact CZ-CD2 4.37Å; F62-F66 WeakPolarHBondContact O-CB 3.37Å; F62-F66 PolarHBondContact O-N 2.91Å; F62-L70 HydrophobicContact CD1-CD2 4.33Å; F62-L70 HydrophobicContact CE1-CD2 3.66Å; F62-L70 HydrophobicContact CE1-CG 4.36Å; F62-L70 HydrophobicContact CZ-CD2 4.38Å |
| 63 | I | 78 | Confident | 78.7 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 6% | 0.062 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -41.3 | 175.4 | -66.1 | 165.2 | 0 | 0 | 0 | 111.3 | I59 Q60 R61 G67 M68 L102 K105 L106 | I59-I63 HydrophobicContact CG2-CD1 4.06Å; I59-I63 WeakPolarHBondContact O-CG1 3.5Å; I59-I63 PolarHBondContact O-N 3.26Å; Q60-I63 PolarHBondContact O-N 3.22Å; R61-I63 VanDerWaalsContact C-N 3.33Å; R61-I63 PolarHBondContact O-N 3.3Å; I63-G67 WeakPolarHBondContact O-CA 3.32Å; I63-G67 PolarHBondContact O-N 3.35Å; I63-M68 HydrophobicContact CB-SD 4.41Å; I63-M68 HydrophobicContact CD1-SD 3.94Å; I63-M68 HydrophobicContact CG1-SD 3.89Å; I63-M68 HydrophobicContact CG2-CG 4.25Å; I63-M68 HydrophobicContact CG2-SD 3.63Å; I63-L102 HydrophobicContact CD1-CD1 3.75Å; I63-K105 HydrophobicContact CD1-CB 4.37Å; I63-K105 HydrophobicContact CG2-CB 4.3Å; I63-L106 HydrophobicContact CD1-CD2 3.75Å; I63-L106 HydrophobicContact CD1-CG 4.19Å |
| 64 | N | 71.9 | Confident | 78.8 | Confident | 110 Ų | 110 | 46 Ų | 46 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.9 | -40 | 177.3 | -74.5 | 13.1 | 0 | 0 | 0 | 112.2 | Q60 R61 | Q60-N64 PolarHBondContact O-N 3.47Å; Q60-N64 PolarHBondContact O-OD1 3.33Å; R61-N64 PolarHBondContact O-N 3.22Å |
| 65 | I | 68.3 | Low | 79 | Confident | 91 Ų | 91 | 44.5 Ų | 44.5 | 47% | 0.467 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -82.1 | -43.5 | -175.3 | -63.6 | 164.9 | 0 | 0 | 0 | 112.2 | R61 F62 | R61-I65 WeakPolarHBondContact O-CB 3.43Å; R61-I65 WeakPolarHBondContact O-CD1 3.45Å; R61-I65 VanDerWaalsContact O-CG1 3.24Å; R61-I65 WeakPolarHBondContact O-CG1 3.46Å; R61-I65 PolarHBondContact O-N 2.8Å; F62-I65 PolarHBondContact O-N 3.38Å |
| 66 | F | 69.4 | Low | 79.1 | Confident | 35 Ų | 35 | 46 Ų | 46 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -107.6 | -8.1 | -173.4 | -57.1 | -56.1 | 0 | 0 | 0 | 114.3 | I19 L24 I28 E31 F62 R69 | I19-F66 HydrophobicContact CD1-CE1 3.64Å; I19-F66 HydrophobicContact CD1-CZ 4.01Å; L24-F66 HydrophobicContact CD1-CD1 4.35Å; L24-F66 HydrophobicContact CD1-CE1 4.45Å; I28-F66 HydrophobicContact CD1-CB 3.9Å; I28-F66 HydrophobicContact CD1-CD1 3.82Å; I28-F66 HydrophobicContact CD1-CG 3.9Å; I28-F66 HydrophobicContact CG1-CB 4.25Å; I28-F66 HydrophobicContact CG1-CD1 3.79Å; I28-F66 HydrophobicContact CG1-CD2 4.17Å; I28-F66 HydrophobicContact CG1-CE1 4.17Å; I28-F66 HydrophobicContact CG1-CG 3.8Å; E31-F66 HydrophobicContact CG-CE2 4.44Å; F62-F66 AromaticContact CD2-CD2 3.54Å; F62-F66 HydrophobicContact CD2-CD2 3.54Å; F62-F66 AromaticContact CD2-CE2 3.92Å; F62-F66 HydrophobicContact CD2-CE2 3.92Å; F62-F66 AromaticContact CE2-CD2 3.75Å; F62-F66 HydrophobicContact CE2-CD2 3.75Å; F62-F66 HydrophobicContact CE2-CE2 4.23Å; F62-F66 HydrophobicContact CG-CD2 4.01Å; F62-F66 HydrophobicContact CZ-CD2 4.37Å; F62-F66 WeakPolarHBondContact O-CB 3.37Å; F62-F66 PolarHBondContact O-N 2.91Å; F66-R69 VanDerWaalsContact O-CD 3.23Å; F66-R69 WeakPolarHBondContact O-CD 3.37Å; F66-R69 WeakPolarHBondContact O-CG 3.45Å; F66-R69 PolarHBondContact O-NE 3.32Å |
| 67 | G | 72.8 | Confident | 79.1 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 19% | 0.186 | 25% | 0.253 | C | S | . | . | trans | 73 | -172.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I63 R69 | I63-G67 WeakPolarHBondContact O-CA 3.32Å; I63-G67 PolarHBondContact O-N 3.35Å; G67-R69 PolarHBondContact O-N 2.97Å | ||
| 68 | M | 73.4 | Confident | 79.4 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 17% | 0.172 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -75.8 | 56.1 | -179 | -69 | -64.8 | -74.4 | 0 | 0 | 112.8 | I63 L70 R75 L106 K109 | I63-M68 HydrophobicContact CB-SD 4.41Å; I63-M68 HydrophobicContact CD1-SD 3.94Å; I63-M68 HydrophobicContact CG1-SD 3.89Å; I63-M68 HydrophobicContact CG2-CG 4.25Å; I63-M68 HydrophobicContact CG2-SD 3.63Å; M68-L70 PolarHBondContact O-N 3.15Å; M68-R75 HydrophobicContact CE-CG 4.06Å; M68-L106 HydrophobicContact CE-CD2 3.96Å; M68-L106 HydrophobicContact SD-CD2 4.47Å; M68-K109 HydrophobicContact CB-CD 4.2Å; M68-K109 HydrophobicContact CG-CB 4.24Å; M68-K109 HydrophobicContact CG-CD 3.95Å; M68-K109 HydrophobicContact CG-CG 4.32Å |
| 69 | R | 74.7 | Confident | 79.7 | Confident | 128 Ų | 128 | 46.9 Ų | 46.9 | 48% | 0.483 | 24% | 0.242 | S | C | . | . | trans | -87.2 | 27.5 | 178.8 | -71.4 | 179.6 | 175.9 | -131.9 | 7.8 | 113.6 | N25 I28 F66 G67 | N25-R69 PolarHBondContact OD1-NH1 3.39Å; I28-R69 HydrophobicContact CG2-CB 4.32Å; F66-R69 VanDerWaalsContact O-CD 3.23Å; F66-R69 WeakPolarHBondContact O-CD 3.37Å; F66-R69 WeakPolarHBondContact O-CG 3.45Å; F66-R69 PolarHBondContact O-NE 3.32Å; G67-R69 PolarHBondContact O-N 2.97Å | ||
| 70 | L | 77.2 | Confident | 79.9 | Confident | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | trans | -79.9 | 149.9 | 174.3 | -59 | 171.5 | 0 | 0 | 0 | 110.2 | W32 F62 M68 R75 L78 L106 | W32-L70 HydrophobicContact CD2-CD2 3.62Å; W32-L70 HydrophobicContact CE3-CD2 3.43Å; W32-L70 VanDerWaalsContact CE3-CD2 3.43Å; W32-L70 HydrophobicContact CH2-CD2 3.72Å; W32-L70 HydrophobicContact CZ2-CD2 3.85Å; W32-L70 HydrophobicContact CZ3-CD2 3.47Å; W32-L70 VanDerWaalsContact CZ3-CD2 3.47Å; F62-L70 HydrophobicContact CD1-CD2 4.33Å; F62-L70 HydrophobicContact CE1-CD2 3.66Å; F62-L70 HydrophobicContact CE1-CG 4.36Å; F62-L70 HydrophobicContact CZ-CD2 4.38Å; M68-L70 PolarHBondContact O-N 3.15Å; L70-R75 HydrophobicContact CB-CB 4.35Å; L70-R75 HydrophobicContact CD1-CB 4.49Å; L70-L78 HydrophobicContact CD1-CD1 3.73Å; L70-L106 HydrophobicContact CD1-CD2 3.81Å | ||
| 71 | S | 80.9 | Confident | 80.2 | Confident | 47 Ų | 47 | 52 Ų | 52 | 33% | 0.329 | 27% | 0.266 | S | S | . | . | trans | -67.4 | 155.8 | 166.6 | 71.6 | 0 | 0 | 0 | 0 | 110.7 | T73 Q74 R75 | S71-T73 VanDerWaalsContact C-N 3.28Å; S71-T73 PolarHBondContact O-N 2.91Å; S71-T73 PolarHBondContact OG-OG1 2.88Å; S71-Q74 VanDerWaalsContact CB-OE1 3.29Å; S71-Q74 VanDerWaalsContact N-OE1 3.16Å; S71-Q74 PolarHBondContact O-N 3.44Å; S71-Q74 WeakPolarHBondContact OG-CB 3.4Å; S71-Q74 VanDerWaalsContact OG-CG 3.27Å; S71-Q74 WeakPolarHBondContact OG-CG 3.26Å; S71-Q74 PolarHBondContact OG-N 3.44Å; S71-Q74 PolarHBondContact OG-OE1 2.74Å; S71-R75 PolarHBondContact O-N 3.25Å | ||
| 72 | K | 80 | Confident | 80.8 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.2 | -39.5 | -176.6 | -159.3 | 176.6 | -175 | 177.2 | 0 | 111.9 | I76 L113 T117 | K72-I76 HydrophobicContact CG-CD1 4.06Å; K72-I76 WeakPolarHBondContact O-CB 3.41Å; K72-I76 VanDerWaalsContact O-CD1 3.32Å; K72-I76 WeakPolarHBondContact O-CD1 3.3Å; K72-I76 WeakPolarHBondContact O-CG1 3.18Å; K72-I76 PolarHBondContact O-N 2.89Å; K72-L113 HydrophobicContact CG-CD2 3.87Å; K72-T117 WeakPolarHBondContact CE-OG1 3.38Å; K72-T117 PolarHBondContact NZ-OG1 3.29Å |
| 73 | T | 82.9 | Confident | 81.2 | Confident | 105 Ų | 105 | 46.5 Ų | 46.5 | 64% | 0.644 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.9 | -44.2 | 175.9 | 44.8 | 0 | 0 | 0 | 0 | 112.5 | S71 I76 A77 | S71-T73 VanDerWaalsContact C-N 3.28Å; S71-T73 PolarHBondContact O-N 2.91Å; S71-T73 PolarHBondContact OG-OG1 2.88Å; T73-I76 PolarHBondContact O-N 2.92Å; T73-A77 WeakPolarHBondContact O-CB 3.47Å; T73-A77 PolarHBondContact O-N 3.48Å |
| 74 | Q | 84.3 | Confident | 81.6 | Confident | 63 Ų | 63 | 48.6 Ų | 48.6 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.3 | -74.1 | 157.7 | -25.9 | 0 | 0 | 111.7 | S71 I76 A77 L78 | S71-Q74 VanDerWaalsContact CB-OE1 3.29Å; S71-Q74 VanDerWaalsContact N-OE1 3.16Å; S71-Q74 PolarHBondContact O-N 3.44Å; S71-Q74 WeakPolarHBondContact OG-CB 3.4Å; S71-Q74 VanDerWaalsContact OG-CG 3.27Å; S71-Q74 WeakPolarHBondContact OG-CG 3.26Å; S71-Q74 PolarHBondContact OG-N 3.44Å; S71-Q74 PolarHBondContact OG-OE1 2.74Å; Q74-I76 VanDerWaalsContact C-N 3.34Å; Q74-I76 PolarHBondContact O-N 2.77Å; Q74-A77 PolarHBondContact O-N 3Å; Q74-L78 WeakPolarHBondContact O-CB 3.43Å; Q74-L78 VanDerWaalsContact O-CG 3.29Å; Q74-L78 WeakPolarHBondContact O-CG 3.02Å; Q74-L78 PolarHBondContact O-N 3.42Å |
| 75 | R | 85.3 | Confident | 82.3 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 3% | 0.034 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 175.5 | -173.1 | 179.8 | 176.3 | -173.7 | -6 | 111.9 | M68 L70 S71 I79 L106 K109 L113 | M68-R75 HydrophobicContact CE-CG 4.06Å; L70-R75 HydrophobicContact CB-CB 4.35Å; L70-R75 HydrophobicContact CD1-CB 4.49Å; S71-R75 PolarHBondContact O-N 3.25Å; R75-I79 HydrophobicContact CG-CD1 4.07Å; R75-I79 VanDerWaalsContact O-CG1 3.27Å; R75-I79 WeakPolarHBondContact O-CG1 3.43Å; R75-I79 PolarHBondContact O-N 3.5Å; R75-L106 HydrophobicContact CG-CD2 4.42Å; R75-L106 PolarHBondContact NE-O 2.97Å; R75-L106 PolarHBondContact NH2-O 3.34Å; R75-K109 PolarHBondContact NH1-O 2.93Å; R75-K109 PolarHBondContact NH2-O 3.12Å; R75-L113 HydrophobicContact CG-CD1 4.22Å |
| 76 | I | 86.3 | Confident | 83.1 | Confident | 31 Ų | 31 | 40 Ų | 40 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 175.9 | -72.5 | 161.8 | 0 | 0 | 0 | 111.3 | K72 T73 Q74 I79 H80 L113 T117 L118 | K72-I76 HydrophobicContact CG-CD1 4.06Å; K72-I76 WeakPolarHBondContact O-CB 3.41Å; K72-I76 VanDerWaalsContact O-CD1 3.32Å; K72-I76 WeakPolarHBondContact O-CD1 3.3Å; K72-I76 WeakPolarHBondContact O-CG1 3.18Å; K72-I76 PolarHBondContact O-N 2.89Å; T73-I76 PolarHBondContact O-N 2.92Å; Q74-I76 VanDerWaalsContact C-N 3.34Å; Q74-I76 PolarHBondContact O-N 2.77Å; I76-I79 PolarHBondContact O-N 3.4Å; I76-H80 PolarHBondContact O-N 3.46Å; I76-H80 VanDerWaalsContact O-N 3.1Å; I76-H80 PolarHBondContact O-ND1 3.01Å; I76-L113 HydrophobicContact CD1-CD2 4.42Å; I76-L113 HydrophobicContact CG1-CD2 4.1Å; I76-T117 VanDerWaalsContact CD1-O 3.23Å; I76-T117 WeakPolarHBondContact CD1-O 3.4Å; I76-L118 HydrophobicContact CG2-CD1 4.37Å |
| 77 | A | 86.4 | Confident | 83.8 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 49% | 0.488 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | T73 Q74 I79 H80 L81 | T73-A77 WeakPolarHBondContact O-CB 3.47Å; T73-A77 PolarHBondContact O-N 3.48Å; Q74-A77 PolarHBondContact O-N 3Å; A77-I79 PolarHBondContact O-N 2.95Å; A77-H80 PolarHBondContact O-N 3.02Å; A77-L81 WeakPolarHBondContact O-CB 3.33Å; A77-L81 PolarHBondContact O-N 3.46Å |
| 78 | L | 88.4 | Confident | 84.3 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -39.3 | 175.3 | -70 | 169.9 | 0 | 0 | 0 | 112.5 | W32 L39 I59 L70 Q74 L81 T82 L106 | W32-L78 HydrophobicContact CH2-CD1 3.64Å; W32-L78 HydrophobicContact CH2-CD2 4.34Å; W32-L78 HydrophobicContact CH2-CG 4.47Å; W32-L78 HydrophobicContact CZ2-CD1 4.06Å; L39-L78 HydrophobicContact CD2-CD2 4.1Å; I59-L78 HydrophobicContact CD1-CD2 3.94Å; I59-L78 HydrophobicContact CG2-CD1 4.35Å; L70-L78 HydrophobicContact CD1-CD1 3.73Å; Q74-L78 WeakPolarHBondContact O-CB 3.43Å; Q74-L78 VanDerWaalsContact O-CG 3.29Å; Q74-L78 WeakPolarHBondContact O-CG 3.02Å; Q74-L78 PolarHBondContact O-N 3.42Å; L78-L81 PolarHBondContact O-N 3.28Å; L78-T82 PolarHBondContact O-N 3.02Å; L78-T82 PolarHBondContact O-OG1 3.21Å; L78-L106 HydrophobicContact CB-CD1 3.79Å; L78-L106 HydrophobicContact CB-CD2 4.43Å; L78-L106 HydrophobicContact CD1-CD2 4.16Å |
| 79 | I | 88.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -50.6 | 176.9 | -69 | 163.5 | 0 | 0 | 0 | 110.2 | R75 I76 A77 L81 T82 V83 L103 L106 L107 L113 L118 I120 | R75-I79 HydrophobicContact CG-CD1 4.07Å; R75-I79 VanDerWaalsContact O-CG1 3.27Å; R75-I79 WeakPolarHBondContact O-CG1 3.43Å; R75-I79 PolarHBondContact O-N 3.5Å; I76-I79 PolarHBondContact O-N 3.4Å; A77-I79 PolarHBondContact O-N 2.95Å; I79-L81 PolarHBondContact O-N 3.23Å; I79-T82 WeakPolarHBondContact CA-OG1 3.38Å; I79-T82 PolarHBondContact O-N 3.47Å; I79-T82 PolarHBondContact O-OG1 2.93Å; I79-V83 HydrophobicContact CG2-CG2 4.19Å; I79-V83 WeakPolarHBondContact O-CB 3.24Å; I79-V83 VanDerWaalsContact O-CG2 3.27Å; I79-V83 WeakPolarHBondContact O-CG2 3.35Å; I79-V83 PolarHBondContact O-N 2.96Å; I79-L103 HydrophobicContact CB-CD1 4.39Å; I79-L103 HydrophobicContact CG1-CD1 4.12Å; I79-L103 HydrophobicContact CG2-CD1 3.85Å; I79-L106 HydrophobicContact CG1-CB 4.08Å; I79-L106 HydrophobicContact CG1-CD1 4.2Å; I79-L107 HydrophobicContact CD1-CD2 4.46Å; I79-L113 HydrophobicContact CD1-CD1 3.5Å; I79-L113 VanDerWaalsContact CD1-CD1 3.5Å; I79-L118 HydrophobicContact CB-CD2 4.17Å; I79-L118 HydrophobicContact CD1-CD2 4.08Å; I79-L118 HydrophobicContact CG2-CD2 3.64Å; I79-I120 HydrophobicContact CG2-CD1 4.11Å |
| 80 | H | 89.7 | Confident | 84.2 | Confident | 87 Ų | 87 | 41.6 Ų | 41.6 | 40% | 0.403 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -54.6 | -42.1 | 174.6 | -73.1 | 101.8 | 0 | 0 | 0 | 112 | I76 A77 A84 L118 | I76-H80 PolarHBondContact O-N 3.46Å; I76-H80 VanDerWaalsContact O-N 3.1Å; I76-H80 PolarHBondContact O-ND1 3.01Å; A77-H80 PolarHBondContact O-N 3.02Å; H80-A84 VanDerWaalsContact O-CB 3.3Å; H80-A84 WeakPolarHBondContact O-CB 3.36Å; H80-A84 PolarHBondContact O-N 2.68Å; H80-L118 WeakPolarHBondContact CE1-CD1 3.39Å; H80-L118 WeakPolarHBondContact NE2-CD1 3.36Å |
| 81 | L | 88.7 | Confident | 84.1 | Confident | 30 Ų | 30 | 41 Ų | 41 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -54.2 | 178.2 | -171.5 | 156.2 | 0 | 0 | 0 | 111 | L39 L43 F56 A77 L78 I79 V83 A84 Y85 | L39-L81 HydrophobicContact CD1-CD1 4.17Å; L39-L81 HydrophobicContact CD2-CD1 4.42Å; L43-L81 HydrophobicContact CD1-CD1 4.03Å; F56-L81 HydrophobicContact CE1-CD2 3.43Å; F56-L81 VanDerWaalsContact CE1-CD2 3.43Å; F56-L81 HydrophobicContact CZ-CD2 3.6Å; A77-L81 WeakPolarHBondContact O-CB 3.33Å; A77-L81 PolarHBondContact O-N 3.46Å; L78-L81 PolarHBondContact O-N 3.28Å; I79-L81 PolarHBondContact O-N 3.23Å; L81-V83 VanDerWaalsContact C-N 3.26Å; L81-V83 PolarHBondContact O-N 2.73Å; L81-A84 PolarHBondContact O-N 3.41Å; L81-Y85 HydrophobicContact CD2-CD2 3.55Å; L81-Y85 HydrophobicContact CD2-CE2 3.53Å; L81-Y85 HydrophobicContact CG-CD2 4.01Å; L81-Y85 HydrophobicContact CG-CE2 3.86Å; L81-Y85 VanDerWaalsContact O-CD2 3.31Å; L81-Y85 WeakPolarHBondContact O-CD2 3.46Å; L81-Y85 PolarHBondContact O-N 3.01Å |
| 82 | T | 88.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58 | -39.4 | 178 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | L78 I79 Y85 I86 L102 L106 | L78-T82 PolarHBondContact O-N 3.02Å; L78-T82 PolarHBondContact O-OG1 3.21Å; I79-T82 WeakPolarHBondContact CA-OG1 3.38Å; I79-T82 PolarHBondContact O-N 3.47Å; I79-T82 PolarHBondContact O-OG1 2.93Å; T82-Y85 PolarHBondContact O-N 3.03Å; T82-I86 WeakPolarHBondContact O-CB 3.39Å; T82-I86 VanDerWaalsContact O-CD1 3.3Å; T82-I86 WeakPolarHBondContact O-CD1 3.47Å; T82-I86 WeakPolarHBondContact O-CG1 3.47Å; T82-I86 PolarHBondContact O-N 3.01Å; T82-L102 HydrophobicContact CG2-CB 4.26Å; T82-L102 HydrophobicContact CG2-CD2 3.71Å; T82-L102 HydrophobicContact CG2-CG 3.88Å; T82-L106 HydrophobicContact CG2-CD1 4.26Å |
| 83 | V | 88.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | I79 L81 Y85 I86 C87 L103 I120 F125 | I79-V83 HydrophobicContact CG2-CG2 4.19Å; I79-V83 WeakPolarHBondContact O-CB 3.24Å; I79-V83 VanDerWaalsContact O-CG2 3.27Å; I79-V83 WeakPolarHBondContact O-CG2 3.35Å; I79-V83 PolarHBondContact O-N 2.96Å; L81-V83 VanDerWaalsContact C-N 3.26Å; L81-V83 PolarHBondContact O-N 2.73Å; V83-Y85 VanDerWaalsContact C-N 3.31Å; V83-Y85 PolarHBondContact O-N 3.48Å; V83-I86 PolarHBondContact O-N 2.88Å; V83-C87 WeakPolarHBondContact O-CB 3.25Å; V83-C87 PolarHBondContact O-N 3.45Å; V83-C87 PolarHBondContact O-SG 3.26Å; V83-L103 HydrophobicContact CG2-CD1 4.41Å; V83-L103 HydrophobicContact CG2-CD2 3.64Å; V83-I120 HydrophobicContact CG1-CG2 4.02Å; V83-I120 HydrophobicContact CG2-CD1 4.27Å; V83-F125 HydrophobicContact CG1-CE1 4.4Å; V83-F125 HydrophobicContact CG1-CE2 4.28Å; V83-F125 HydrophobicContact CG1-CZ 3.84Å; V83-F125 HydrophobicContact CG2-CZ 4.07Å |
| 84 | A | 87.6 | Confident | 83.4 | Confident | 56 Ų | 56 | 40.3 Ų | 40.3 | 46% | 0.463 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.8 | -34.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | H80 L81 C87 C88 | H80-A84 VanDerWaalsContact O-CB 3.3Å; H80-A84 WeakPolarHBondContact O-CB 3.36Å; H80-A84 PolarHBondContact O-N 2.68Å; L81-A84 PolarHBondContact O-N 3.41Å; A84-C87 CarbonylContact O-C 3.56Å; A84-C87 PolarHBondContact O-N 3.44Å; A84-C88 WeakPolarHBondContact O-CB 3.49Å; A84-C88 PolarHBondContact O-N 3.05Å |
| 85 | Y | 86.4 | Confident | 83.3 | Confident | 19 Ų | 19 | 37.4 Ų | 37.4 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.2 | -42.1 | 174 | -87.2 | -101.2 | 0 | 0 | 0 | 112.4 | I48 I52 F56 L81 T82 V83 C87 C88 I91 V95 | I48-Y85 HydrophobicContact CG2-CE1 4.12Å; I48-Y85 VanDerWaalsContact CG2-OH 3.31Å; I48-Y85 WeakPolarHBondContact CG2-OH 3.3Å; I52-Y85 HydrophobicContact CB-CE1 4.05Å; I52-Y85 HydrophobicContact CG1-CD1 4.47Å; I52-Y85 HydrophobicContact CG1-CE1 3.76Å; I52-Y85 HydrophobicContact CG1-CE2 4.43Å; I52-Y85 WeakPolarHBondContact CG1-OH 3.47Å; I52-Y85 HydrophobicContact CG2-CD1 4.34Å; I52-Y85 HydrophobicContact CG2-CE1 3.71Å; F56-Y85 HydrophobicContact CE2-CD1 4.04Å; F56-Y85 HydrophobicContact CE2-CG 4.14Å; F56-Y85 AromaticContact CZ-CD1 3.96Å; F56-Y85 HydrophobicContact CZ-CD1 3.96Å; F56-Y85 AromaticContact CZ-CD2 3.99Å; F56-Y85 HydrophobicContact CZ-CD2 3.99Å; F56-Y85 HydrophobicContact CZ-CE1 4.31Å; F56-Y85 HydrophobicContact CZ-CE2 4.25Å; F56-Y85 AromaticContact CZ-CG 3.79Å; F56-Y85 HydrophobicContact CZ-CG 3.79Å; L81-Y85 HydrophobicContact CD2-CD2 3.55Å; L81-Y85 HydrophobicContact CD2-CE2 3.53Å; L81-Y85 HydrophobicContact CG-CD2 4.01Å; L81-Y85 HydrophobicContact CG-CE2 3.86Å; L81-Y85 VanDerWaalsContact O-CD2 3.31Å; L81-Y85 WeakPolarHBondContact O-CD2 3.46Å; L81-Y85 PolarHBondContact O-N 3.01Å; T82-Y85 PolarHBondContact O-N 3.03Å; V83-Y85 VanDerWaalsContact C-N 3.31Å; V83-Y85 PolarHBondContact O-N 3.48Å; Y85-C87 PolarHBondContact O-N 3.1Å; Y85-C88 PolarHBondContact O-N 3.01Å; Y85-I91 HydrophobicContact CD1-CD1 3.52Å; Y85-I91 HydrophobicContact CE1-CD1 4.29Å; Y85-I91 HydrophobicContact CG-CD1 4.28Å; Y85-I91 WeakPolarHBondContact O-CD1 3.41Å; Y85-V95 HydrophobicContact CD1-CG1 3.95Å; Y85-V95 HydrophobicContact CE1-CG1 4.49Å |
| 86 | I | 85.8 | Confident | 83.1 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -33.6 | 172.2 | -67 | 158.8 | 0 | 0 | 0 | 110.7 | T82 V83 A99 L100 L103 F125 M128 L153 | T82-I86 WeakPolarHBondContact O-CB 3.39Å; T82-I86 VanDerWaalsContact O-CD1 3.3Å; T82-I86 WeakPolarHBondContact O-CD1 3.47Å; T82-I86 WeakPolarHBondContact O-CG1 3.47Å; T82-I86 PolarHBondContact O-N 3.01Å; V83-I86 PolarHBondContact O-N 2.88Å; I86-A99 HydrophobicContact CD1-CB 4.28Å; I86-A99 HydrophobicContact CG1-CB 3.82Å; I86-L100 HydrophobicContact CD1-CD2 3.68Å; I86-L100 HydrophobicContact CD1-CG 4.09Å; I86-L100 HydrophobicContact CG1-CD2 3.9Å; I86-L100 HydrophobicContact CG1-CG 4.01Å; I86-L100 HydrophobicContact CG2-CD2 3.92Å; I86-L103 HydrophobicContact CD1-CB 4.19Å; I86-L103 HydrophobicContact CD1-CD2 3.51Å; I86-F125 HydrophobicContact CG2-CE1 4.37Å; I86-M128 WeakPolarHBondContact O-CE 3.31Å; I86-L153 HydrophobicContact CG2-CD1 3.66Å |
| 87 | C | 84 | Confident | 82.8 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 24.6 | -179.3 | -61.7 | 0 | 0 | 0 | 0 | 114.5 | V83 A84 Y85 N124 M128 | V83-C87 WeakPolarHBondContact O-CB 3.25Å; V83-C87 PolarHBondContact O-N 3.45Å; V83-C87 PolarHBondContact O-SG 3.26Å; A84-C87 CarbonylContact O-C 3.56Å; A84-C87 PolarHBondContact O-N 3.44Å; Y85-C87 PolarHBondContact O-N 3.1Å; C87-N124 HydrophobicContact CB-CB 3.96Å; C87-N124 PolarHBondContact SG-O 2.94Å; C87-M128 VanDerWaalsContact C-SD 3.58Å; C87-M128 VanDerWaalsContact CA-CG 3.48Å; C87-M128 HydrophobicContact CB-CG 4.09Å |
| 88 | C | 82.7 | Confident | 82.7 | Confident | 45 Ų | 45 | 36.6 Ų | 36.6 | 30% | 0.304 | 20% | 0.203 | S | C | . | . | trans | -101.5 | 117.1 | 173.7 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | A84 Y85 I91 | A84-C88 WeakPolarHBondContact O-CB 3.49Å; A84-C88 PolarHBondContact O-N 3.05Å; Y85-C88 PolarHBondContact O-N 3.01Å; C88-I91 HydrophobicContact CB-CB 4.28Å; C88-I91 HydrophobicContact CB-CD1 4.26Å; C88-I91 WeakPolarHBondContact O-CG2 3.3Å | ||
| 89 | P | 72.3 | Confident | 82.6 | Confident | 63 Ų | 63 | 36.2 Ų | 36.2 | 41% | 0.409 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 151.7 | 171 | 28.3 | -34.1 | 0 | 0 | 0 | 110.4 | I91 W131 | P89-I91 VanDerWaalsContact C-N 3.28Å; P89-I91 PolarHBondContact O-N 3.39Å; P89-W131 HydrophobicContact CB-CD2 3.95Å; P89-W131 HydrophobicContact CB-CG 4.16Å; P89-W131 HydrophobicContact CB-CZ2 4.38Å |
| 90 | N | 73.4 | Confident | 82.4 | Confident | 119 Ų | 119 | 36.6 Ų | 36.6 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 24 | -175.4 | -49.6 | -48.1 | 0 | 0 | 0 | 115.7 | W131 | N90-W131 VanDerWaalsContact OD1-CZ2 3.31Å; N90-W131 WeakPolarHBondContact OD1-CZ2 3.33Å |
| 91 | I | 75 | Confident | 82.2 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | trans | -82.5 | 148.7 | 172.7 | -158.9 | 157.6 | 0 | 0 | 0 | 112.5 | M49 Y85 C88 P89 V95 M96 | M49-I91 HydrophobicContact CE-CB 4.5Å; M49-I91 HydrophobicContact CE-CG1 4.25Å; M49-I91 HydrophobicContact SD-CD1 4.24Å; M49-I91 HydrophobicContact SD-CG1 3.91Å; Y85-I91 HydrophobicContact CD1-CD1 3.52Å; Y85-I91 HydrophobicContact CE1-CD1 4.29Å; Y85-I91 HydrophobicContact CG-CD1 4.28Å; Y85-I91 WeakPolarHBondContact O-CD1 3.41Å; C88-I91 HydrophobicContact CB-CB 4.28Å; C88-I91 HydrophobicContact CB-CD1 4.26Å; C88-I91 WeakPolarHBondContact O-CG2 3.3Å; P89-I91 VanDerWaalsContact C-N 3.28Å; P89-I91 PolarHBondContact O-N 3.39Å; I91-V95 HydrophobicContact CD1-CG1 3.75Å; I91-V95 HydrophobicContact CG1-CB 4.32Å; I91-V95 HydrophobicContact CG1-CG1 4.09Å; I91-M96 HydrophobicContact CG2-CB 4.3Å; I91-M96 HydrophobicContact CG2-CE 4.39Å | ||
| 92 | D | 77.8 | Confident | 82.1 | Confident | 79 Ų | 79 | 35 Ų | 35 | 42% | 0.422 | 20% | 0.195 | S | C | . | . | trans | -56.4 | 135.5 | 171.7 | 172.9 | -88.6 | 0 | 0 | 0 | 111.8 | Q94 V95 M96 | D92-Q94 PolarHBondContact O-N 3.21Å; D92-Q94 WeakPolarHBondContact OD1-CA 3.38Å; D92-Q94 WeakPolarHBondContact OD1-CB 2.99Å; D92-Q94 PolarHBondContact OD1-N 3.19Å; D92-V95 HydrophobicContact CB-CB 4.18Å; D92-V95 HydrophobicContact CB-CG2 3.94Å; D92-V95 WeakPolarHBondContact O-CB 3.45Å; D92-V95 PolarHBondContact O-N 2.87Å; D92-V95 PolarHBondContact OD1-N 3.3Å; D92-M96 PolarHBondContact O-N 3.29Å | ||
| 93 | T | 74.4 | Confident | 82.1 | Confident | 45 Ų | 45 | 35 Ų | 35 | 28% | 0.276 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.7 | -38.7 | -175.6 | 52.2 | 0 | 0 | 0 | 0 | 112 | V95 M96 F97 I143 L145 | T93-V95 PolarHBondContact O-N 3.5Å; T93-M96 WeakPolarHBondContact O-CB 3.4Å; T93-M96 PolarHBondContact O-N 3.47Å; T93-F97 HydrophobicContact CG2-CZ 4.49Å; T93-F97 WeakPolarHBondContact O-CD1 3.43Å; T93-F97 WeakPolarHBondContact O-CD2 3.25Å; T93-F97 WeakPolarHBondContact O-CE2 3.17Å; T93-F97 WeakPolarHBondContact O-CG 3.24Å; T93-F97 PolarHBondContact O-N 3.35Å; T93-I143 HydrophobicContact CG2-CG2 3.8Å; T93-L145 HydrophobicContact CG2-CD2 4.26Å |
| 94 | Q | 77.4 | Confident | 81.9 | Confident | 94 Ų | 94 | 37.3 Ų | 37.3 | 44% | 0.439 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.3 | -33.4 | 178.7 | -177 | 61.7 | 99 | 0 | 0 | 112.1 | D92 N98 | D92-Q94 PolarHBondContact O-N 3.21Å; D92-Q94 WeakPolarHBondContact OD1-CA 3.38Å; D92-Q94 WeakPolarHBondContact OD1-CB 2.99Å; D92-Q94 PolarHBondContact OD1-N 3.19Å; Q94-N98 PolarHBondContact NE2-ND2 3.4Å; Q94-N98 VanDerWaalsContact NE2-ND2 3.16Å; Q94-N98 PolarHBondContact O-N 3.3Å; Q94-N98 VanDerWaalsContact O-N 3.14Å; Q94-N98 PolarHBondContact O-ND2 3.47Å |
| 95 | V | 80.9 | Confident | 81.7 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -46.7 | 168.4 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | I52 N53 F56 Y85 I91 D92 T93 F97 N98 A99 | I52-V95 HydrophobicContact CG2-CG1 3.76Å; I52-V95 HydrophobicContact CG2-CG2 4.23Å; N53-V95 HydrophobicContact CB-CG2 4.01Å; F56-V95 HydrophobicContact CE2-CG1 4.21Å; Y85-V95 HydrophobicContact CD1-CG1 3.95Å; Y85-V95 HydrophobicContact CE1-CG1 4.49Å; I91-V95 HydrophobicContact CD1-CG1 3.75Å; I91-V95 HydrophobicContact CG1-CB 4.32Å; I91-V95 HydrophobicContact CG1-CG1 4.09Å; D92-V95 HydrophobicContact CB-CB 4.18Å; D92-V95 HydrophobicContact CB-CG2 3.94Å; D92-V95 WeakPolarHBondContact O-CB 3.45Å; D92-V95 PolarHBondContact O-N 2.87Å; D92-V95 PolarHBondContact OD1-N 3.3Å; T93-V95 PolarHBondContact O-N 3.5Å; V95-F97 PolarHBondContact O-N 3.26Å; V95-N98 PolarHBondContact O-N 2.89Å; V95-A99 WeakPolarHBondContact O-CB 3.27Å; V95-A99 PolarHBondContact O-N 3.49Å |
| 96 | M | 81.6 | Confident | 81.6 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 4% | 0.044 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -47.8 | 176.2 | -168.2 | -155.5 | -59 | 0 | 0 | 111.4 | I91 D92 T93 N98 A99 L100 L145 | I91-M96 HydrophobicContact CG2-CB 4.3Å; I91-M96 HydrophobicContact CG2-CE 4.39Å; D92-M96 PolarHBondContact O-N 3.29Å; T93-M96 WeakPolarHBondContact O-CB 3.4Å; T93-M96 PolarHBondContact O-N 3.47Å; M96-N98 PolarHBondContact O-N 3.11Å; M96-A99 WeakPolarHBondContact O-CB 3.47Å; M96-A99 PolarHBondContact O-N 2.89Å; M96-L100 HydrophobicContact CG-CD1 4.03Å; M96-L100 HydrophobicContact CG-CG 4.43Å; M96-L100 WeakPolarHBondContact O-CB 3.21Å; M96-L100 VanDerWaalsContact O-CG 3.28Å; M96-L100 WeakPolarHBondContact O-CG 3.03Å; M96-L100 PolarHBondContact O-N 3.33Å; M96-L100 HydrophobicContact SD-CD1 4.14Å; M96-L145 HydrophobicContact CE-CD1 4.35Å; M96-L145 HydrophobicContact CE-CD2 4.11Å; M96-L145 HydrophobicContact SD-CD2 4.19Å |
| 97 | F | 81.1 | Confident | 81.2 | Confident | 52 Ų | 52 | 35.9 Ų | 35.9 | 23% | 0.228 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | -179.4 | -54 | -32.5 | 0 | 0 | 0 | 112.8 | T93 V95 A99 L100 E101 L145 E149 | T93-F97 HydrophobicContact CG2-CZ 4.49Å; T93-F97 WeakPolarHBondContact O-CD1 3.43Å; T93-F97 WeakPolarHBondContact O-CD2 3.25Å; T93-F97 WeakPolarHBondContact O-CE2 3.17Å; T93-F97 WeakPolarHBondContact O-CG 3.24Å; T93-F97 PolarHBondContact O-N 3.35Å; V95-F97 PolarHBondContact O-N 3.26Å; F97-A99 VanDerWaalsContact C-N 3.32Å; F97-A99 PolarHBondContact O-N 3.09Å; F97-L100 HydrophobicContact CD1-CD1 4.27Å; F97-L100 PolarHBondContact O-N 3.48Å; F97-E101 PolarHBondContact O-N 2.74Å; F97-L145 HydrophobicContact CE1-CD2 3.68Å; F97-L145 HydrophobicContact CZ-CD2 3.88Å; F97-E149 HydrophobicContact CD1-CG 4.01Å; F97-E149 HydrophobicContact CE1-CB 3.89Å; F97-E149 HydrophobicContact CE1-CG 3.43Å; F97-E149 VanDerWaalsContact CE1-CG 3.43Å; F97-E149 WeakPolarHBondContact CE1-OE2 3.4Å; F97-E149 HydrophobicContact CZ-CG 3.78Å; F97-E149 WeakPolarHBondContact CZ-OE2 3.17Å |
| 98 | N | 84.4 | Confident | 80.5 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 11% | 0.107 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.5 | -27.4 | 177.2 | -76.4 | -43.2 | 0 | 0 | 0 | 112.6 | N53 F56 T57 Q60 Q94 V95 M96 L102 | N53-N98 PolarHBondContact OD1-ND2 3.16Å; F56-N98 HydrophobicContact CB-CB 4.31Å; T57-N98 HydrophobicContact CG2-CB 4.19Å; T57-N98 WeakPolarHBondContact CG2-OD1 3.38Å; Q60-N98 PolarHBondContact NE2-O 2.95Å; Q60-N98 VanDerWaalsContact NE2-O 3.14Å; Q94-N98 PolarHBondContact NE2-ND2 3.4Å; Q94-N98 VanDerWaalsContact NE2-ND2 3.16Å; Q94-N98 PolarHBondContact O-N 3.3Å; Q94-N98 VanDerWaalsContact O-N 3.14Å; Q94-N98 PolarHBondContact O-ND2 3.47Å; V95-N98 PolarHBondContact O-N 2.89Å; M96-N98 PolarHBondContact O-N 3.11Å; N98-L102 WeakPolarHBondContact O-CB 3.47Å; N98-L102 PolarHBondContact O-N 3.3Å |
| 99 | A | 86.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.9 | -42.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | F56 I86 V95 M96 F97 L102 L103 | F56-A99 HydrophobicContact CD2-CB 4.02Å; F56-A99 HydrophobicContact CE2-CB 3.7Å; F56-A99 HydrophobicContact CZ-CB 4.48Å; I86-A99 HydrophobicContact CD1-CB 4.28Å; I86-A99 HydrophobicContact CG1-CB 3.82Å; V95-A99 WeakPolarHBondContact O-CB 3.27Å; V95-A99 PolarHBondContact O-N 3.49Å; M96-A99 WeakPolarHBondContact O-CB 3.47Å; M96-A99 PolarHBondContact O-N 2.89Å; F97-A99 VanDerWaalsContact C-N 3.32Å; F97-A99 PolarHBondContact O-N 3.09Å; A99-L102 PolarHBondContact O-N 2.8Å; A99-L103 VanDerWaalsContact O-CB 3.28Å; A99-L103 WeakPolarHBondContact O-CB 3.41Å; A99-L103 PolarHBondContact O-N 3.08Å |
| 100 | L | 85 | Confident | 78.6 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -49.5 | 176.2 | -73.5 | 166.8 | 0 | 0 | 0 | 111.5 | I86 M96 F97 L102 L103 N104 L153 I156 | I86-L100 HydrophobicContact CD1-CD2 3.68Å; I86-L100 HydrophobicContact CD1-CG 4.09Å; I86-L100 HydrophobicContact CG1-CD2 3.9Å; I86-L100 HydrophobicContact CG1-CG 4.01Å; I86-L100 HydrophobicContact CG2-CD2 3.92Å; M96-L100 HydrophobicContact CG-CD1 4.03Å; M96-L100 HydrophobicContact CG-CG 4.43Å; M96-L100 WeakPolarHBondContact O-CB 3.21Å; M96-L100 VanDerWaalsContact O-CG 3.28Å; M96-L100 WeakPolarHBondContact O-CG 3.03Å; M96-L100 PolarHBondContact O-N 3.33Å; M96-L100 HydrophobicContact SD-CD1 4.14Å; F97-L100 HydrophobicContact CD1-CD1 4.27Å; F97-L100 PolarHBondContact O-N 3.48Å; L100-L102 PolarHBondContact O-N 2.89Å; L100-L103 PolarHBondContact O-N 2.97Å; L100-N104 PolarHBondContact O-N 3.06Å; L100-L153 HydrophobicContact CD2-CD1 3.89Å; L100-I156 HydrophobicContact CB-CD1 3.58Å; L100-I156 HydrophobicContact CD2-CB 4.33Å; L100-I156 HydrophobicContact CD2-CD1 3.47Å; L100-I156 VanDerWaalsContact CD2-CD1 3.47Å; L100-I156 HydrophobicContact CD2-CG1 4.49Å; L100-I156 HydrophobicContact CD2-CG2 4.16Å; L100-I156 HydrophobicContact CG-CD1 4.1Å; L100-I156 VanDerWaalsContact O-CD1 3.24Å; L100-I156 WeakPolarHBondContact O-CD1 3.2Å |
| 101 | E | 84.7 | Confident | 77.9 | Confident | 83 Ų | 83 | 35 Ų | 35 | 39% | 0.388 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 176.9 | -174.3 | -167.9 | -175.7 | 0 | 0 | 111.8 | Q60 F97 N104 K105 | Q60-E101 PolarHBondContact NE2-OE2 3.19Å; Q60-E101 VanDerWaalsContact OE1-CD 3.22Å; Q60-E101 PolarHBondContact OE1-OE1 3.19Å; Q60-E101 PolarHBondContact OE1-OE2 2.83Å; F97-E101 PolarHBondContact O-N 2.74Å; E101-N104 PolarHBondContact O-N 3.12Å; E101-K105 VanDerWaalsContact CD-NZ 3.28Å; E101-K105 HydrophobicContact CG-CD 4.4Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 2.74Å; E101-K105 VanDerWaalsContact OE1-CE 3.22Å; E101-K105 WeakPolarHBondContact OE1-CE 3.41Å; E101-K105 IonicContact OE1-NZ 3.7Å; E101-K105 PolarHBondContact OE1-NZ 3Å; E101-K105 IonicContact OE2-NZ 3.24Å |
| 102 | L | 87.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 173.4 | 176.8 | 56.4 | 0 | 0 | 0 | 111.3 | F56 I59 Q60 I63 T82 N98 A99 L100 K105 L106 | F56-L102 HydrophobicContact CB-CD2 4.01Å; F56-L102 HydrophobicContact CD1-CD2 3.7Å; F56-L102 HydrophobicContact CE1-CD2 4.44Å; F56-L102 HydrophobicContact CG-CD2 4.01Å; I59-L102 HydrophobicContact CB-CD1 4.04Å; I59-L102 HydrophobicContact CB-CD2 4.14Å; I59-L102 HydrophobicContact CD1-CD2 4.15Å; I59-L102 HydrophobicContact CG2-CD1 3.56Å; I59-L102 HydrophobicContact CG2-CD2 4.18Å; Q60-L102 HydrophobicContact CG-CB 3.85Å; Q60-L102 HydrophobicContact CG-CD1 3.92Å; Q60-L102 HydrophobicContact CG-CG 4.42Å; I63-L102 HydrophobicContact CD1-CD1 3.75Å; T82-L102 HydrophobicContact CG2-CB 4.26Å; T82-L102 HydrophobicContact CG2-CD2 3.71Å; T82-L102 HydrophobicContact CG2-CG 3.88Å; N98-L102 WeakPolarHBondContact O-CB 3.47Å; N98-L102 PolarHBondContact O-N 3.3Å; A99-L102 PolarHBondContact O-N 2.8Å; L100-L102 PolarHBondContact O-N 2.89Å; L102-K105 PolarHBondContact O-N 2.7Å; L102-L106 HydrophobicContact CD1-CD1 4.08Å; L102-L106 HydrophobicContact CD1-CG 3.97Å; L102-L106 HydrophobicContact CG-CD1 3.88Å; L102-L106 HydrophobicContact CG-CG 4.26Å; L102-L106 WeakPolarHBondContact O-CB 3.33Å; L102-L106 VanDerWaalsContact O-CG 3.22Å; L102-L106 WeakPolarHBondContact O-CG 3.49Å; L102-L106 PolarHBondContact O-N 2.75Å |
| 103 | L | 88.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 176.7 | -177.6 | 51.5 | 0 | 0 | 0 | 111.2 | I79 V83 I86 A99 L100 K105 L106 L107 I156 | I79-L103 HydrophobicContact CB-CD1 4.39Å; I79-L103 HydrophobicContact CG1-CD1 4.12Å; I79-L103 HydrophobicContact CG2-CD1 3.85Å; V83-L103 HydrophobicContact CG2-CD1 4.41Å; V83-L103 HydrophobicContact CG2-CD2 3.64Å; I86-L103 HydrophobicContact CD1-CB 4.19Å; I86-L103 HydrophobicContact CD1-CD2 3.51Å; A99-L103 VanDerWaalsContact O-CB 3.28Å; A99-L103 WeakPolarHBondContact O-CB 3.41Å; A99-L103 PolarHBondContact O-N 3.08Å; L100-L103 PolarHBondContact O-N 2.97Å; L103-K105 PolarHBondContact O-N 2.76Å; L103-L106 CarbonylContact O-C 3.2Å; L103-L106 PolarHBondContact O-N 2.79Å; L103-L106 VanDerWaalsContact O-N 3.14Å; L103-L107 HydrophobicContact CD1-CD1 3.8Å; L103-L107 HydrophobicContact CD1-CD2 4.46Å; L103-L107 HydrophobicContact CD1-CG 3.9Å; L103-L107 HydrophobicContact CG-CD1 3.87Å; L103-L107 HydrophobicContact CG-CG 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.47Å; L103-L107 VanDerWaalsContact O-CG 3.24Å; L103-L107 WeakPolarHBondContact O-CG 3.47Å; L103-L107 PolarHBondContact O-N 2.84Å; L103-I156 HydrophobicContact CD2-CG2 3.56Å; L103-I156 HydrophobicContact CG-CG2 4.05Å |
| 104 | N | 84.3 | Confident | 76.7 | Confident | 55 Ų | 55 | 34.7 Ų | 34.7 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -55.2 | -48.4 | 171.4 | -99.7 | -18.7 | 0 | 0 | 0 | 112 | L100 E101 L106 L107 S108 I156 L159 | L100-N104 PolarHBondContact O-N 3.06Å; E101-N104 PolarHBondContact O-N 3.12Å; N104-L106 PolarHBondContact O-N 2.7Å; N104-L107 PolarHBondContact O-N 3.1Å; N104-L107 VanDerWaalsContact O-N 3.14Å; N104-S108 PolarHBondContact O-N 3.46Å; N104-I156 VanDerWaalsContact OD1-CG1 3.25Å; N104-I156 WeakPolarHBondContact OD1-CG1 3.47Å; N104-L159 WeakPolarHBondContact OD1-CD1 3.46Å |
| 105 | K | 82.6 | Confident | 76.4 | Confident | 36 Ų | 36 | 30.7 Ų | 30.7 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 175.3 | -72.2 | 170.8 | -173.8 | 169.7 | 0 | 111.8 | Q60 I63 E101 L102 L103 L107 S108 | Q60-K105 HydrophobicContact CB-CD 3.93Å; Q60-K105 HydrophobicContact CG-CD 3.98Å; I63-K105 HydrophobicContact CD1-CB 4.37Å; I63-K105 HydrophobicContact CG2-CB 4.3Å; E101-K105 VanDerWaalsContact CD-NZ 3.28Å; E101-K105 HydrophobicContact CG-CD 4.4Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 2.74Å; E101-K105 VanDerWaalsContact OE1-CE 3.22Å; E101-K105 WeakPolarHBondContact OE1-CE 3.41Å; E101-K105 IonicContact OE1-NZ 3.7Å; E101-K105 PolarHBondContact OE1-NZ 3Å; E101-K105 IonicContact OE2-NZ 3.24Å; L102-K105 PolarHBondContact O-N 2.7Å; L103-K105 PolarHBondContact O-N 2.76Å; K105-L107 VanDerWaalsContact C-N 3.26Å; K105-L107 PolarHBondContact O-N 2.73Å; K105-S108 PolarHBondContact O-OG 3.1Å |
| 106 | L | 83.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.2 | -21.3 | 174.9 | -71.1 | 171.6 | 0 | 0 | 0 | 113.5 | I63 M68 L70 R75 L78 I79 T82 L102 L103 N104 | I63-L106 HydrophobicContact CD1-CD2 3.75Å; I63-L106 HydrophobicContact CD1-CG 4.19Å; M68-L106 HydrophobicContact CE-CD2 3.96Å; M68-L106 HydrophobicContact SD-CD2 4.47Å; L70-L106 HydrophobicContact CD1-CD2 3.81Å; R75-L106 HydrophobicContact CG-CD2 4.42Å; R75-L106 PolarHBondContact NE-O 2.97Å; R75-L106 PolarHBondContact NH2-O 3.34Å; L78-L106 HydrophobicContact CB-CD1 3.79Å; L78-L106 HydrophobicContact CB-CD2 4.43Å; L78-L106 HydrophobicContact CD1-CD2 4.16Å; I79-L106 HydrophobicContact CG1-CB 4.08Å; I79-L106 HydrophobicContact CG1-CD1 4.2Å; T82-L106 HydrophobicContact CG2-CD1 4.26Å; L102-L106 HydrophobicContact CD1-CD1 4.08Å; L102-L106 HydrophobicContact CD1-CG 3.97Å; L102-L106 HydrophobicContact CG-CD1 3.88Å; L102-L106 HydrophobicContact CG-CG 4.26Å; L102-L106 WeakPolarHBondContact O-CB 3.33Å; L102-L106 VanDerWaalsContact O-CG 3.22Å; L102-L106 WeakPolarHBondContact O-CG 3.49Å; L102-L106 PolarHBondContact O-N 2.75Å; L103-L106 CarbonylContact O-C 3.2Å; L103-L106 PolarHBondContact O-N 2.79Å; L103-L106 VanDerWaalsContact O-N 3.14Å; N104-L106 PolarHBondContact O-N 2.7Å |
| 107 | L | 79.2 | Confident | 75.6 | Confident | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -93.9 | -33.6 | 178 | -69.4 | 173.5 | 0 | 0 | 0 | 113.1 | I79 L103 N104 K105 K109 S110 L159 F163 | I79-L107 HydrophobicContact CD1-CD2 4.46Å; L103-L107 HydrophobicContact CD1-CD1 3.8Å; L103-L107 HydrophobicContact CD1-CD2 4.46Å; L103-L107 HydrophobicContact CD1-CG 3.9Å; L103-L107 HydrophobicContact CG-CD1 3.87Å; L103-L107 HydrophobicContact CG-CG 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.47Å; L103-L107 VanDerWaalsContact O-CG 3.24Å; L103-L107 WeakPolarHBondContact O-CG 3.47Å; L103-L107 PolarHBondContact O-N 2.84Å; N104-L107 PolarHBondContact O-N 3.1Å; N104-L107 VanDerWaalsContact O-N 3.14Å; K105-L107 VanDerWaalsContact C-N 3.26Å; K105-L107 PolarHBondContact O-N 2.73Å; L107-K109 CarbonylContact O-C 3.31Å; L107-K109 PolarHBondContact O-N 3.38Å; L107-S110 WeakPolarHBondContact O-CA 3.4Å; L107-S110 WeakPolarHBondContact O-CB 3.18Å; L107-S110 PolarHBondContact O-N 3.17Å; L107-L159 HydrophobicContact CD1-CB 3.83Å; L107-F163 HydrophobicContact CD2-CE2 3.72Å |
| 108 | S | 68.4 | Low | 75.7 | Confident | 36 Ų | 36 | 35 Ų | 35 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -46.4 | -13.4 | -177.8 | 70.7 | 0 | 0 | 0 | 0 | 118.6 | N104 K105 S467 | N104-S108 PolarHBondContact O-N 3.46Å; K105-S108 PolarHBondContact O-OG 3.1Å; S108-S467 PolarHBondContact O-OG 2.9Å; S108-S467 VanDerWaalsContact O-OG 3.05Å |
| 109 | K | 63.5 | Low | 75.6 | Confident | 52 Ų | 52 | 38.1 Ų | 38.1 | 23% | 0.226 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -124.7 | 57.5 | 172.3 | -64.6 | -175.6 | 178.7 | 175.2 | 0 | 109.6 | M68 R75 L107 Y111 S112 | M68-K109 HydrophobicContact CB-CD 4.2Å; M68-K109 HydrophobicContact CG-CB 4.24Å; M68-K109 HydrophobicContact CG-CD 3.95Å; M68-K109 HydrophobicContact CG-CG 4.32Å; R75-K109 PolarHBondContact NH1-O 2.93Å; R75-K109 PolarHBondContact NH2-O 3.12Å; L107-K109 CarbonylContact O-C 3.31Å; L107-K109 PolarHBondContact O-N 3.38Å; K109-Y111 VanDerWaalsContact C-N 3.25Å; K109-Y111 HydrophobicContact CB-CD1 4.49Å; K109-Y111 HydrophobicContact CB-CE1 3.87Å; K109-Y111 HydrophobicContact CG-CE1 4.09Å; K109-Y111 PolarHBondContact O-N 3.06Å; K109-S112 PolarHBondContact O-N 2.95Å |
| 110 | S | 52.5 | Low | 75.6 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -62.5 | -27.5 | -171.5 | 39.5 | 0 | 0 | 0 | 0 | 113 | L107 S112 L113 K162 E357 | L107-S110 WeakPolarHBondContact O-CA 3.4Å; L107-S110 WeakPolarHBondContact O-CB 3.18Å; L107-S110 PolarHBondContact O-N 3.17Å; S110-S112 PolarHBondContact O-N 2.9Å; S110-L113 PolarHBondContact O-N 3.34Å; S110-K162 PolarHBondContact O-NZ 3.08Å; S110-K162 VanDerWaalsContact O-NZ 3.07Å; S110-E357 VanDerWaalsContact C-CD 3.48Å; S110-E357 VanDerWaalsContact CB-OE1 3.29Å; S110-E357 WeakPolarHBondContact CB-OE1 3.4Å; S110-E357 WeakPolarHBondContact CB-OE2 3.2Å; S110-E357 VanDerWaalsContact OG-CD 3.26Å; S110-E357 PolarHBondContact OG-OE1 2.73Å; S110-E357 PolarHBondContact OG-OE2 3.36Å |
| 111 | Y | 56.8 | Low | 75.7 | Confident | 123 Ų | 123 | 41.4 Ų | 41.4 | 48% | 0.482 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -58.7 | -15.1 | 174.6 | 63.8 | -99.8 | 0 | 0 | 0 | 116.5 | K109 E357 | K109-Y111 VanDerWaalsContact C-N 3.25Å; K109-Y111 HydrophobicContact CB-CD1 4.49Å; K109-Y111 HydrophobicContact CB-CE1 3.87Å; K109-Y111 HydrophobicContact CG-CE1 4.09Å; K109-Y111 PolarHBondContact O-N 3.06Å; Y111-E357 VanDerWaalsContact CA-CG 3.49Å; Y111-E357 VanDerWaalsContact N-CD 3.3Å; Y111-E357 PolarHBondContact N-OE1 3.01Å |
| 112 | S | 62.6 | Low | 75.9 | Confident | 56 Ų | 56 | 37.7 Ų | 37.7 | 39% | 0.392 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -94.7 | -6.7 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 113.6 | K109 S110 | K109-S112 PolarHBondContact O-N 2.95Å; S110-S112 PolarHBondContact O-N 2.9Å |
| 113 | L | 69 | Low | 76 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -115.4 | 129.5 | 172.7 | -69.4 | 178.1 | 0 | 0 | 0 | 109.1 | K72 R75 I76 I79 S110 K162 F163 | K72-L113 HydrophobicContact CG-CD2 3.87Å; R75-L113 HydrophobicContact CG-CD1 4.22Å; I76-L113 HydrophobicContact CD1-CD2 4.42Å; I76-L113 HydrophobicContact CG1-CD2 4.1Å; I79-L113 HydrophobicContact CD1-CD1 3.5Å; I79-L113 VanDerWaalsContact CD1-CD1 3.5Å; S110-L113 PolarHBondContact O-N 3.34Å; L113-K162 PolarHBondContact O-NZ 3.28Å; L113-F163 HydrophobicContact CB-CE1 4.01Å; L113-F163 HydrophobicContact CB-CZ 3.88Å; L113-F163 HydrophobicContact CD1-CZ 3.99Å |
| 114 | L | 70.8 | Confident | 75.9 | Confident | 70 Ų | 70 | 44.7 Ų | 44.7 | 37% | 0.366 | 24% | 0.244 | S | C | . | . | trans | -89.8 | 145.6 | 170.4 | -69.7 | 92.3 | 0 | 0 | 0 | 108.4 | S116 T117 D360 | L114-S116 PolarHBondContact O-N 2.92Å; L114-S116 VanDerWaalsContact O-N 3.12Å; L114-T117 HydrophobicContact CB-CG2 4.43Å; L114-T117 PolarHBondContact N-OG1 2.9Å; L114-T117 PolarHBondContact O-N 3.47Å; L114-T117 PolarHBondContact O-OG1 2.96Å; L114-D360 WeakPolarHBondContact CA-OD2 3.37Å; L114-D360 WeakPolarHBondContact CB-OD1 3.19Å; L114-D360 HydrophobicContact CD2-CB 4.29Å; L114-D360 HydrophobicContact CG-CB 4.36Å | ||
| 115 | S | 70.7 | Confident | 76.1 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -48.1 | -35.6 | 171.2 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | T117 K162 K205 D360 | S115-T117 PolarHBondContact O-N 3.01Å; S115-K162 WeakPolarHBondContact CB-O 3.22Å; S115-K205 PolarHBondContact OG-NZ 3.38Å; S115-D360 VanDerWaalsContact N-CG 3.33Å; S115-D360 PolarHBondContact N-OD1 3.42Å; S115-D360 VanDerWaalsContact N-OD1 3.1Å; S115-D360 PolarHBondContact N-OD2 3.41Å; S115-D360 PolarHBondContact OG-OD1 3.34Å; S115-D360 PolarHBondContact OG-OD2 2.99Å |
| 116 | S | 69.7 | Low | 76.3 | Confident | 95 Ų | 95 | 40.6 Ų | 40.6 | 66% | 0.664 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -73.4 | -0.4 | 177.8 | 55.7 | 0 | 0 | 0 | 0 | 115.8 | L114 | L114-S116 PolarHBondContact O-N 2.92Å; L114-S116 VanDerWaalsContact O-N 3.12Å |
| 117 | T | 77 | Confident | 76.3 | Confident | 50 Ų | 50 | 44 Ų | 44 | 31% | 0.307 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -112.7 | 1.6 | -175.1 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | K72 I76 L114 S115 | K72-T117 WeakPolarHBondContact CE-OG1 3.38Å; K72-T117 PolarHBondContact NZ-OG1 3.29Å; I76-T117 VanDerWaalsContact CD1-O 3.23Å; I76-T117 WeakPolarHBondContact CD1-O 3.4Å; L114-T117 HydrophobicContact CB-CG2 4.43Å; L114-T117 PolarHBondContact N-OG1 2.9Å; L114-T117 PolarHBondContact O-N 3.47Å; L114-T117 PolarHBondContact O-OG1 2.96Å; S115-T117 PolarHBondContact O-N 3.01Å |
| 118 | L | 82.3 | Confident | 76.4 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | trans | -156.9 | 129.9 | 178.5 | 164.1 | 62.1 | 0 | 0 | 0 | 107.5 | I76 I79 H80 I120 F163 | I76-L118 HydrophobicContact CG2-CD1 4.37Å; I79-L118 HydrophobicContact CB-CD2 4.17Å; I79-L118 HydrophobicContact CD1-CD2 4.08Å; I79-L118 HydrophobicContact CG2-CD2 3.64Å; H80-L118 WeakPolarHBondContact CE1-CD1 3.39Å; H80-L118 WeakPolarHBondContact NE2-CD1 3.36Å; L118-I120 HydrophobicContact CD1-CG1 3.98Å; L118-I120 HydrophobicContact CD2-CD1 4.17Å; L118-I120 HydrophobicContact CD2-CG1 4.29Å; L118-I120 HydrophobicContact CG-CD1 4.42Å; L118-I120 HydrophobicContact CG-CG1 4.01Å; L118-F163 HydrophobicContact CB-CD1 3.68Å; L118-F163 HydrophobicContact CB-CE1 4.15Å; L118-F163 HydrophobicContact CB-CG 4.19Å; L118-F163 HydrophobicContact CD2-CB 4.28Å; L118-F163 HydrophobicContact CD2-CD1 3.83Å; L118-F163 HydrophobicContact CD2-CD2 3.85Å; L118-F163 HydrophobicContact CD2-CE1 4.09Å; L118-F163 HydrophobicContact CD2-CE2 4.12Å; L118-F163 HydrophobicContact CD2-CG 3.7Å; L118-F163 HydrophobicContact CD2-CZ 4.23Å; L118-F163 HydrophobicContact CG-CB 3.98Å; L118-F163 HydrophobicContact CG-CD1 3.85Å; L118-F163 HydrophobicContact CG-CD2 4.46Å; L118-F163 HydrophobicContact CG-CE1 4.49Å; L118-F163 HydrophobicContact CG-CG 3.82Å; L118-F163 WeakPolarHBondContact O-CB 3.34Å | ||
| 119 | S | 83.1 | Confident | 76.9 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 60% | 0.601 | 23% | 0.233 | S | C | * | . | trans | -116.8 | 108.9 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 109.2 | F163 | S119-F163 CarbonylContact C-O 3.15Å; S119-F163 WeakPolarHBondContact CA-O 3.48Å | ||
| 120 | I | 86.3 | Confident | 77.6 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | trans | -98.5 | 134.5 | 173.5 | -55.7 | 171.8 | 0 | 0 | 0 | 107.9 | I79 V83 L118 W122 F125 C160 F163 F164 P165 | I79-I120 HydrophobicContact CG2-CD1 4.11Å; V83-I120 HydrophobicContact CG1-CG2 4.02Å; V83-I120 HydrophobicContact CG2-CD1 4.27Å; L118-I120 HydrophobicContact CD1-CG1 3.98Å; L118-I120 HydrophobicContact CD2-CD1 4.17Å; L118-I120 HydrophobicContact CD2-CG1 4.29Å; L118-I120 HydrophobicContact CG-CD1 4.42Å; L118-I120 HydrophobicContact CG-CG1 4.01Å; I120-W122 PolarHBondContact O-N 3.39Å; I120-F125 HydrophobicContact CG2-CE2 3.77Å; I120-F125 HydrophobicContact CG2-CZ 4.47Å; I120-C160 HydrophobicContact CD1-CB 3.98Å; I120-F163 HydrophobicContact CB-CB 4.34Å; I120-F163 HydrophobicContact CD1-CB 3.89Å; I120-F163 HydrophobicContact CD1-CD2 4.05Å; I120-F163 HydrophobicContact CD1-CG 4.32Å; I120-F163 HydrophobicContact CG1-CB 3.88Å; I120-F163 PolarHBondContact N-O 2.78Å; I120-F164 HydrophobicContact CB-CD1 4.21Å; I120-F164 HydrophobicContact CB-CE1 4.29Å; I120-F164 HydrophobicContact CG2-CE1 4.18Å; I120-F164 WeakPolarHBondContact O-CD1 3.47Å; I120-P165 WeakPolarHBondContact O-CD 3.4Å | ||
| 121 | N | 87.6 | Confident | 78.6 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | trans | -77.4 | 119.3 | 169.8 | -179.4 | 19.2 | 0 | 0 | 0 | 109.3 | R123 N124 | N121-R123 PolarHBondContact O-N 3.48Å; N121-R123 WeakPolarHBondContact OD1-CB 3.29Å; N121-R123 PolarHBondContact OD1-N 3.32Å; N121-R123 VanDerWaalsContact OD1-N 3.12Å; N121-N124 WeakPolarHBondContact CB-OD1 3.32Å; N121-N124 PolarHBondContact ND2-OD1 3.21Å; N121-N124 PolarHBondContact O-N 2.75Å | ||
| 122 | W | 88.3 | Confident | 79.3 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -33.6 | 175.4 | 68.6 | -81.9 | 0 | 0 | 0 | 112 | I120 N124 F125 F126 F164 S168 E171 V172 E175 F176 Y199 | I120-W122 PolarHBondContact O-N 3.39Å; W122-N124 PolarHBondContact O-N 3.33Å; W122-F125 PolarHBondContact O-N 2.88Å; W122-F126 HydrophobicContact CE3-CB 4.01Å; W122-F126 HydrophobicContact CZ3-CB 3.8Å; W122-F126 HydrophobicContact CZ3-CD1 4.17Å; W122-F126 AromaticContact CZ3-CG 3.93Å; W122-F126 HydrophobicContact CZ3-CG 3.93Å; W122-F126 PolarHBondContact O-N 3.01Å; W122-F164 HydrophobicContact CB-CD1 4.12Å; W122-F164 HydrophobicContact CB-CD2 3.61Å; W122-F164 HydrophobicContact CB-CE1 4.05Å; W122-F164 HydrophobicContact CB-CE2 3.54Å; W122-F164 HydrophobicContact CB-CG 3.93Å; W122-F164 HydrophobicContact CB-CZ 3.78Å; W122-S168 VanDerWaalsContact CD1-CB 3.44Å; W122-E171 HydrophobicContact CZ2-CB 3.91Å; W122-E171 PolarHBondContact NE1-OE2 2.71Å; W122-V172 HydrophobicContact CD2-CG2 3.4Å; W122-V172 HydrophobicContact CE3-CG2 3.65Å; W122-V172 HydrophobicContact CG-CG2 3.9Å; W122-V172 HydrophobicContact CH2-CG2 4.05Å; W122-V172 HydrophobicContact CZ2-CG2 3.84Å; W122-V172 HydrophobicContact CZ3-CG2 3.97Å; W122-E175 HydrophobicContact CH2-CB 4.06Å; W122-E175 HydrophobicContact CH2-CG 4.12Å; W122-F176 HydrophobicContact CZ3-CE2 4.49Å; W122-Y199 HydrophobicContact CE3-CD1 4.44Å; W122-Y199 HydrophobicContact CE3-CG 4.18Å |
| 123 | R | 88.9 | Confident | 79.7 | Confident | 87 Ų | 87 | 40.9 Ų | 40.9 | 33% | 0.328 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.7 | -31.7 | -174.6 | -153.8 | -170.2 | 176.9 | 93.5 | 10.8 | 112 | N121 F125 F126 D127 E175 | N121-R123 PolarHBondContact O-N 3.48Å; N121-R123 WeakPolarHBondContact OD1-CB 3.29Å; N121-R123 PolarHBondContact OD1-N 3.32Å; N121-R123 VanDerWaalsContact OD1-N 3.12Å; R123-F125 PolarHBondContact O-N 3.43Å; R123-F126 CarbonylContact O-C 3.51Å; R123-F126 WeakPolarHBondContact O-CA 3.45Å; R123-F126 WeakPolarHBondContact O-CB 3.46Å; R123-F126 PolarHBondContact O-N 3.13Å; R123-D127 WeakPolarHBondContact CG-OD1 3.33Å; R123-D127 IonicContact CZ-OD1 3.51Å; R123-D127 IonicContact NE-OD1 2.69Å; R123-D127 PolarHBondContact NE-OD1 3.15Å; R123-D127 VanDerWaalsContact NE-OD1 3.12Å; R123-D127 IonicContact NE-OD2 3.28Å; R123-D127 WeakPolarHBondContact O-CB 3.2Å; R123-D127 VanDerWaalsContact O-CG 3.22Å; R123-D127 PolarHBondContact O-N 3.27Å; R123-E175 IonicContact CZ-OE2 3.73Å; R123-E175 IonicContact NH1-OE2 2.96Å; R123-E175 PolarHBondContact NH1-OE2 2.78Å; R123-E175 IonicContact NH2-OE2 2.66Å; R123-E175 PolarHBondContact NH2-OE2 2.95Å; R123-E175 VanDerWaalsContact NH2-OE2 3.08Å |
| 124 | N | 87 | Confident | 79.4 | Confident | 60 Ų | 60 | 44.9 Ų | 44.9 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.2 | -33.7 | 175.6 | -64.2 | 28.9 | 0 | 0 | 0 | 113.2 | C87 N121 W122 M128 | C87-N124 HydrophobicContact CB-CB 3.96Å; C87-N124 PolarHBondContact SG-O 2.94Å; N121-N124 WeakPolarHBondContact CB-OD1 3.32Å; N121-N124 PolarHBondContact ND2-OD1 3.21Å; N121-N124 PolarHBondContact O-N 2.75Å; W122-N124 PolarHBondContact O-N 3.33Å; N124-M128 WeakPolarHBondContact O-CG 3.35Å |
| 125 | F | 87.9 | Confident | 78.5 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -80.9 | -31.1 | 174.8 | -62.6 | -77.2 | 0 | 0 | 0 | 112 | V83 I86 I120 W122 R123 R129 T157 C160 F164 Y199 | V83-F125 HydrophobicContact CG1-CE1 4.4Å; V83-F125 HydrophobicContact CG1-CE2 4.28Å; V83-F125 HydrophobicContact CG1-CZ 3.84Å; V83-F125 HydrophobicContact CG2-CZ 4.07Å; I86-F125 HydrophobicContact CG2-CE1 4.37Å; I120-F125 HydrophobicContact CG2-CE2 3.77Å; I120-F125 HydrophobicContact CG2-CZ 4.47Å; W122-F125 PolarHBondContact O-N 2.88Å; R123-F125 PolarHBondContact O-N 3.43Å; F125-R129 PolarHBondContact O-N 3.22Å; F125-T157 HydrophobicContact CB-CG2 3.88Å; F125-T157 HydrophobicContact CD1-CG2 4.48Å; F125-T157 HydrophobicContact CD2-CG2 4.12Å; F125-T157 HydrophobicContact CG-CG2 3.94Å; F125-C160 HydrophobicContact CE2-CB 3.86Å; F125-C160 HydrophobicContact CZ-CB 3.87Å; F125-F164 HydrophobicContact CD2-CE1 4.19Å; F125-F164 HydrophobicContact CD2-CZ 4.07Å; F125-F164 AromaticContact CE2-CE1 4Å; F125-F164 HydrophobicContact CE2-CE1 4Å; F125-F164 HydrophobicContact CE2-CZ 4.21Å; F125-Y199 HydrophobicContact CB-CD1 4.46Å; F125-Y199 HydrophobicContact CB-CE1 3.82Å; F125-Y199 PolarHBondContact O-OH 3.32Å |
| 126 | F | 86.2 | Confident | 77.4 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.7 | -48.8 | 176.6 | 179.6 | -110 | 0 | 0 | 0 | 112.3 | W122 R123 M128 R129 E130 E175 F176 Y199 | W122-F126 HydrophobicContact CE3-CB 4.01Å; W122-F126 HydrophobicContact CZ3-CB 3.8Å; W122-F126 HydrophobicContact CZ3-CD1 4.17Å; W122-F126 AromaticContact CZ3-CG 3.93Å; W122-F126 HydrophobicContact CZ3-CG 3.93Å; W122-F126 PolarHBondContact O-N 3.01Å; R123-F126 CarbonylContact O-C 3.51Å; R123-F126 WeakPolarHBondContact O-CA 3.45Å; R123-F126 WeakPolarHBondContact O-CB 3.46Å; R123-F126 PolarHBondContact O-N 3.13Å; F126-M128 PolarHBondContact O-N 2.81Å; F126-R129 CarbonylContact O-C 3.59Å; F126-R129 WeakPolarHBondContact O-CA 3.45Å; F126-R129 WeakPolarHBondContact O-CB 3.39Å; F126-R129 PolarHBondContact O-N 2.79Å; F126-E130 HydrophobicContact CE1-CG 3.96Å; F126-E130 VanDerWaalsContact CE1-OE2 3.27Å; F126-E130 WeakPolarHBondContact CE1-OE2 3.47Å; F126-E130 HydrophobicContact CE2-CG 3.99Å; F126-E130 HydrophobicContact CZ-CG 3.69Å; F126-E130 WeakPolarHBondContact CZ-OE1 3.48Å; F126-E130 PolarHBondContact O-N 2.85Å; F126-E175 HydrophobicContact CE1-CG 4.16Å; F126-E175 HydrophobicContact CZ-CG 4.39Å; F126-F176 HydrophobicContact CD2-CE1 4.41Å; F126-F176 AromaticContact CD2-CZ 3.68Å; F126-F176 HydrophobicContact CD2-CZ 3.68Å; F126-F176 AromaticContact CE2-CE1 3.64Å; F126-F176 HydrophobicContact CE2-CE1 3.64Å; F126-F176 HydrophobicContact CE2-CE2 4.47Å; F126-F176 AromaticContact CE2-CZ 3.36Å; F126-F176 HydrophobicContact CE2-CZ 3.36Å; F126-F176 HydrophobicContact CZ-CE1 4.18Å; F126-F176 HydrophobicContact CZ-CZ 4.1Å; F126-Y199 HydrophobicContact CB-CE1 4.21Å; F126-Y199 HydrophobicContact CB-CE2 4.31Å; F126-Y199 HydrophobicContact CD2-CD2 4.29Å; F126-Y199 AromaticContact CD2-CE2 3.64Å; F126-Y199 HydrophobicContact CD2-CE2 3.64Å; F126-Y199 HydrophobicContact CG-CE2 4.44Å |
| 127 | D | 84.7 | Confident | 76.4 | Confident | 71 Ų | 71 | 54.4 Ų | 54.4 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -35.3 | 178.3 | -59.5 | -30.6 | 0 | 0 | 0 | 110.8 | R123 W131 | R123-D127 WeakPolarHBondContact CG-OD1 3.33Å; R123-D127 IonicContact CZ-OD1 3.51Å; R123-D127 IonicContact NE-OD1 2.69Å; R123-D127 PolarHBondContact NE-OD1 3.15Å; R123-D127 VanDerWaalsContact NE-OD1 3.12Å; R123-D127 IonicContact NE-OD2 3.28Å; R123-D127 WeakPolarHBondContact O-CB 3.2Å; R123-D127 VanDerWaalsContact O-CG 3.22Å; R123-D127 PolarHBondContact O-N 3.27Å; D127-W131 WeakPolarHBondContact O-CB 3.32Å; D127-W131 PolarHBondContact O-N 3.43Å |
| 128 | M | 81.2 | Confident | 75 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 169.6 | -81.7 | -56.4 | -64.3 | 0 | 0 | 113.5 | I86 C87 N124 F126 W131 I132 | I86-M128 WeakPolarHBondContact O-CE 3.31Å; C87-M128 VanDerWaalsContact C-SD 3.58Å; C87-M128 VanDerWaalsContact CA-CG 3.48Å; C87-M128 HydrophobicContact CB-CG 4.09Å; N124-M128 WeakPolarHBondContact O-CG 3.35Å; F126-M128 PolarHBondContact O-N 2.81Å; M128-W131 HydrophobicContact CE-CE3 3.92Å; M128-W131 HydrophobicContact CE-CZ3 4.25Å; M128-W131 PolarHBondContact O-N 2.49Å; M128-I132 VanDerWaalsContact O-CG1 3.29Å; M128-I132 WeakPolarHBondContact O-CG1 3.09Å; M128-I132 PolarHBondContact O-N 3.01Å |
| 129 | R | 78.8 | Confident | 73 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.6 | -40.7 | 179.8 | -176.1 | 174.2 | 177.8 | 156 | -2 | 111 | F125 F126 W131 I132 D133 F150 H195 Y199 | F125-R129 PolarHBondContact O-N 3.22Å; F126-R129 CarbonylContact O-C 3.59Å; F126-R129 WeakPolarHBondContact O-CA 3.45Å; F126-R129 WeakPolarHBondContact O-CB 3.39Å; F126-R129 PolarHBondContact O-N 2.79Å; R129-W131 VanDerWaalsContact C-N 3.33Å; R129-I132 PolarHBondContact O-N 2.87Å; R129-D133 IonicContact NE-OD2 2.76Å; R129-D133 VanDerWaalsContact O-CB 3.29Å; R129-D133 WeakPolarHBondContact O-CB 3.17Å; R129-D133 VanDerWaalsContact O-CG 3.31Å; R129-D133 PolarHBondContact O-N 3.46Å; R129-F150 HydrophobicContact CG-CE2 4.19Å; R129-F150 HydrophobicContact CG-CZ 4.23Å; R129-H195 PolarHBondContact NE-CE1 3.36Å; R129-H195 PolarHBondContact NH2-CD2 3.28Å; R129-H195 PolarHBondContact NH2-CE1 2.94Å; R129-H195 PolarHBondContact NH2-NE2 3.11Å; R129-Y199 WeakPolarHBondContact CB-OH 3.44Å; R129-Y199 WeakPolarHBondContact CD-OH 3.5Å |
| 130 | E | 77.9 | Confident | 70.9 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 170.2 | -68.8 | -162.6 | 137.4 | 0 | 0 | 110.9 | F126 I132 D133 D134 R179 | F126-E130 HydrophobicContact CE1-CG 3.96Å; F126-E130 VanDerWaalsContact CE1-OE2 3.27Å; F126-E130 WeakPolarHBondContact CE1-OE2 3.47Å; F126-E130 HydrophobicContact CE2-CG 3.99Å; F126-E130 HydrophobicContact CZ-CG 3.69Å; F126-E130 WeakPolarHBondContact CZ-OE1 3.48Å; F126-E130 PolarHBondContact O-N 2.85Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 PolarHBondContact O-N 2.94Å; E130-D133 PolarHBondContact O-N 3.2Å; E130-D134 WeakPolarHBondContact O-CB 3.38Å; E130-D134 PolarHBondContact O-N 3.33Å; E130-R179 IonicContact OE1-CZ 2.75Å; E130-R179 VanDerWaalsContact OE1-CZ 3.28Å; E130-R179 IonicContact OE1-NH1 3.92Å; E130-R179 PolarHBondContact OE1-NH1 3.41Å; E130-R179 IonicContact OE1-NH2 3.71Å; E130-R179 PolarHBondContact OE1-NH2 3.41Å |
| 131 | W | 74.4 | Confident | 69.2 | Low | 88 Ų | 88 | 72.3 Ų | 72.3 | 33% | 0.333 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 173.6 | -178.8 | 77.1 | 0 | 0 | 0 | 113.4 | P89 N90 D127 M128 R129 G135 I143 | P89-W131 HydrophobicContact CB-CD2 3.95Å; P89-W131 HydrophobicContact CB-CG 4.16Å; P89-W131 HydrophobicContact CB-CZ2 4.38Å; N90-W131 VanDerWaalsContact OD1-CZ2 3.31Å; N90-W131 WeakPolarHBondContact OD1-CZ2 3.33Å; D127-W131 WeakPolarHBondContact O-CB 3.32Å; D127-W131 PolarHBondContact O-N 3.43Å; M128-W131 HydrophobicContact CE-CE3 3.92Å; M128-W131 HydrophobicContact CE-CZ3 4.25Å; M128-W131 PolarHBondContact O-N 2.49Å; R129-W131 VanDerWaalsContact C-N 3.33Å; W131-G135 WeakPolarHBondContact O-CA 3.06Å; W131-G135 PolarHBondContact O-N 3.18Å; W131-I143 HydrophobicContact CH2-CD1 4.22Å |
| 132 | I | 71.9 | Confident | 67.2 | Low | 14 Ų | 14 | 76.8 Ų | 76.8 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.1 | -51.1 | 173.2 | -66.4 | 160.2 | 0 | 0 | 0 | 110.8 | M128 R129 E130 D134 G135 W136 L145 L153 | M128-I132 VanDerWaalsContact O-CG1 3.29Å; M128-I132 WeakPolarHBondContact O-CG1 3.09Å; M128-I132 PolarHBondContact O-N 3.01Å; R129-I132 PolarHBondContact O-N 2.87Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 PolarHBondContact O-N 2.94Å; I132-D134 VanDerWaalsContact C-N 3.33Å; I132-D134 PolarHBondContact O-N 3.09Å; I132-G135 PolarHBondContact O-N 3.33Å; I132-W136 WeakPolarHBondContact O-CB 3.46Å; I132-W136 VanDerWaalsContact O-CD1 3.26Å; I132-W136 PolarHBondContact O-N 2.74Å; I132-L145 HydrophobicContact CD1-CD1 3.63Å; I132-L145 HydrophobicContact CG1-CD1 4.06Å; I132-L145 HydrophobicContact CG2-CD1 4.42Å; I132-L153 HydrophobicContact CD1-CD2 4.35Å |
| 133 | D | 69.1 | Low | 65.4 | Low | 45 Ų | 45 | 80.5 Ų | 80.5 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.6 | -27.3 | -174.9 | -74 | -21.5 | 0 | 0 | 0 | 112.9 | R129 E130 K137 H195 | R129-D133 IonicContact NE-OD2 2.76Å; R129-D133 VanDerWaalsContact O-CB 3.29Å; R129-D133 WeakPolarHBondContact O-CB 3.17Å; R129-D133 VanDerWaalsContact O-CG 3.31Å; R129-D133 PolarHBondContact O-N 3.46Å; E130-D133 PolarHBondContact O-N 3.2Å; D133-K137 WeakPolarHBondContact O-CE 3.41Å; D133-H195 IonicContact OD2-CE1 3.96Å |
| 134 | D | 63.6 | Low | 63.7 | Low | 86 Ų | 86 | 84.5 Ų | 84.5 | 46% | 0.46 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -91.2 | -34.8 | 172.8 | -76.9 | -21.3 | 0 | 0 | 0 | 112.8 | E130 I132 W136 K137 A138 | E130-D134 WeakPolarHBondContact O-CB 3.38Å; E130-D134 PolarHBondContact O-N 3.33Å; I132-D134 VanDerWaalsContact C-N 3.33Å; I132-D134 PolarHBondContact O-N 3.09Å; D134-W136 PolarHBondContact O-N 2.89Å; D134-K137 PolarHBondContact O-N 3.42Å; D134-K137 IonicContact OD1-NZ 3.1Å; D134-K137 PolarHBondContact OD1-NZ 3.34Å; D134-A138 PolarHBondContact O-N 2.83Å |
| 135 | G | 51.4 | Low | 62.3 | Low | 24 Ų | 24 | 82.8 Ų | 82.8 | 25% | 0.247 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -54.7 | -40.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W131 I132 K137 A138 N139 | W131-G135 WeakPolarHBondContact O-CA 3.06Å; W131-G135 PolarHBondContact O-N 3.18Å; I132-G135 PolarHBondContact O-N 3.33Å; G135-K137 PolarHBondContact O-N 2.71Å; G135-A138 PolarHBondContact O-N 3.08Å; G135-N139 PolarHBondContact O-N 3.16Å |
| 136 | W | 47.4 | Very low | 61.3 | Low | 191 Ų | 191 | 84.8 Ų | 84.8 | 72% | 0.723 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -56.8 | -24 | 172.2 | -92.1 | 41.7 | 0 | 0 | 0 | 115.2 | I132 D134 | I132-W136 WeakPolarHBondContact O-CB 3.46Å; I132-W136 VanDerWaalsContact O-CD1 3.26Å; I132-W136 PolarHBondContact O-N 2.74Å; D134-W136 PolarHBondContact O-N 2.89Å |
| 137 | K | 48.8 | Very low | 60.2 | Low | 161 Ų | 161 | 93.8 Ų | 93.8 | 70% | 0.7 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -95.9 | -25.8 | 178.9 | -60.4 | 172.5 | -159.4 | 142 | 0 | 113.1 | D133 D134 G135 | D133-K137 WeakPolarHBondContact O-CE 3.41Å; D134-K137 PolarHBondContact O-N 3.42Å; D134-K137 IonicContact OD1-NZ 3.1Å; D134-K137 PolarHBondContact OD1-NZ 3.34Å; G135-K137 PolarHBondContact O-N 2.71Å |
| 138 | A | 48 | Very low | 59.3 | Low | 70 Ų | 70 | 93.9 Ų | 93.9 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -102.1 | -40.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D134 G135 | D134-A138 PolarHBondContact O-N 2.83Å; G135-A138 PolarHBondContact O-N 3.08Å |
| 139 | N | 41.4 | Very low | 58.6 | Low | 130 Ų | 130 | 95.2 Ų | 95.2 | 70% | 0.695 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -117.9 | 97.2 | -167.4 | -74.5 | -17.7 | 0 | 0 | 0 | 111.9 | G135 | G135-N139 PolarHBondContact O-N 3.16Š|
| 140 | F | 38.6 | Very low | 58.4 | Low | 170 Ų | 170 | 96.6 Ų | 96.6 | 75% | 0.746 | 48% | 0.475 | S | S | * | . | trans | -51.3 | 138.8 | 172.9 | -86 | -86.3 | 0 | 0 | 0 | 113.7 | L142 | F140-L142 PolarHBondContact O-N 2.83Š| ||
| 141 | H | 49.4 | Very low | 58.1 | Low | 158 Ų | 158 | 95.3 Ų | 95.3 | 73% | 0.731 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 67.4 | -29.3 | 160.7 | -46 | 129 | 0 | 0 | 0 | 121.2 | ||
| 142 | L | 46.6 | Very low | 58.2 | Low | 163 Ų | 163 | 95.4 Ų | 95.4 | 85% | 0.853 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -82.1 | -19.8 | -158.9 | -72.8 | 174.2 | 0 | 0 | 0 | 118.5 | F140 | F140-L142 PolarHBondContact O-N 2.83Š|
| 143 | I | 51.1 | Low | 58.6 | Low | 84 Ų | 84 | 95.5 Ų | 95.5 | 43% | 0.431 | 47% | 0.474 | S | S | . | . | trans | -140.8 | 97.9 | 177.2 | -51.5 | 178 | 0 | 0 | 0 | 110.5 | T93 W131 | T93-I143 HydrophobicContact CG2-CG2 3.8Å; W131-I143 HydrophobicContact CH2-CD1 4.22Å | ||
| 144 | Q | 53.4 | Low | 59.1 | Low | 171 Ų | 171 | 94.7 Ų | 94.7 | 80% | 0.799 | 47% | 0.469 | S | S | * | . | trans | -94 | 110.6 | 167.8 | -67.4 | -171.5 | 3.9 | 0 | 0 | 110.3 | ||||
| 145 | L | 57.5 | Low | 59.8 | Low | 24 Ų | 24 | 92.7 Ų | 92.7 | 13% | 0.126 | 46% | 0.456 | C | S | . | . | trans | -80.3 | 132.4 | 159 | -72.2 | 166.9 | 0 | 0 | 0 | 108.4 | T93 M96 F97 I132 E149 | T93-L145 HydrophobicContact CG2-CD2 4.26Å; M96-L145 HydrophobicContact CE-CD1 4.35Å; M96-L145 HydrophobicContact CE-CD2 4.11Å; M96-L145 HydrophobicContact SD-CD2 4.19Å; F97-L145 HydrophobicContact CE1-CD2 3.68Å; F97-L145 HydrophobicContact CZ-CD2 3.88Å; I132-L145 HydrophobicContact CD1-CD1 3.63Å; I132-L145 HydrophobicContact CG1-CD1 4.06Å; I132-L145 HydrophobicContact CG2-CD1 4.42Å; L145-E149 WeakPolarHBondContact CA-OE2 3.4Å; L145-E149 HydrophobicContact CD2-CB 4.49Å | ||
| 146 | S | 65.5 | Low | 61.3 | Low | 44 Ų | 44 | 91.6 Ų | 91.6 | 31% | 0.308 | 45% | 0.445 | S | S | . | . | trans | -70.6 | 154.9 | 176.7 | 85.7 | 0 | 0 | 0 | 0 | 111.2 | T148 E149 F150 | S146-T148 PolarHBondContact O-N 3.48Å; S146-T148 VanDerWaalsContact O-N 3.11Å; S146-T148 PolarHBondContact OG-N 3.27Å; S146-T148 PolarHBondContact OG-OG1 3.45Å; S146-T148 VanDerWaalsContact OG-OG1 3.04Å; S146-E149 WeakPolarHBondContact CB-OE1 3.46Å; S146-E149 PolarHBondContact N-OE2 3.27Å; S146-E149 PolarHBondContact O-N 2.81Å; S146-E149 PolarHBondContact OG-N 3.17Å; S146-E149 PolarHBondContact OG-OE1 3.02Å; S146-F150 PolarHBondContact O-N 3.11Å | ||
| 147 | K | 64.5 | Low | 63.1 | Low | 192 Ų | 192 | 82.6 Ų | 82.6 | 84% | 0.835 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -50.9 | -38.1 | 174.7 | -67 | 179.1 | -178.7 | 173.5 | 0 | 111.6 | E149 F150 V151 | K147-E149 VanDerWaalsContact C-N 3.35Å; K147-E149 PolarHBondContact O-N 3.03Å; K147-F150 PolarHBondContact O-N 2.97Å; K147-V151 PolarHBondContact O-N 3.41Å |
| 148 | T | 64.2 | Low | 64.7 | Low | 72 Ų | 72 | 75.1 Ų | 75.1 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.2 | -29.5 | -179.4 | 81.9 | 0 | 0 | 0 | 0 | 113.3 | S146 K152 | S146-T148 PolarHBondContact O-N 3.48Å; S146-T148 VanDerWaalsContact O-N 3.11Å; S146-T148 PolarHBondContact OG-N 3.27Å; S146-T148 PolarHBondContact OG-OG1 3.45Å; S146-T148 VanDerWaalsContact OG-OG1 3.04Å; T148-K152 WeakPolarHBondContact O-CD 3.42Å; T148-K152 VanDerWaalsContact O-CG 3.24Å; T148-K152 WeakPolarHBondContact O-CG 3.28Å; T148-K152 PolarHBondContact O-N 3.2Å; T148-K152 PolarHBondContact OG1-NZ 3.3Å; T148-K152 VanDerWaalsContact OG1-NZ 3.07Å |
| 149 | E | 68.3 | Low | 66.2 | Low | 36 Ų | 36 | 73.5 Ų | 73.5 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -75.5 | -37.1 | 176.7 | -70 | 134.2 | -135.1 | 0 | 0 | 111.6 | F97 L145 S146 K147 V151 K152 L153 | F97-E149 HydrophobicContact CD1-CG 4.01Å; F97-E149 HydrophobicContact CE1-CB 3.89Å; F97-E149 HydrophobicContact CE1-CG 3.43Å; F97-E149 VanDerWaalsContact CE1-CG 3.43Å; F97-E149 WeakPolarHBondContact CE1-OE2 3.4Å; F97-E149 HydrophobicContact CZ-CG 3.78Å; F97-E149 WeakPolarHBondContact CZ-OE2 3.17Å; L145-E149 WeakPolarHBondContact CA-OE2 3.4Å; L145-E149 HydrophobicContact CD2-CB 4.49Å; S146-E149 WeakPolarHBondContact CB-OE1 3.46Å; S146-E149 PolarHBondContact N-OE2 3.27Å; S146-E149 PolarHBondContact O-N 2.81Å; S146-E149 PolarHBondContact OG-N 3.17Å; S146-E149 PolarHBondContact OG-OE1 3.02Å; K147-E149 VanDerWaalsContact C-N 3.35Å; K147-E149 PolarHBondContact O-N 3.03Å; E149-V151 VanDerWaalsContact C-N 3.32Å; E149-V151 PolarHBondContact O-N 3.38Å; E149-K152 WeakPolarHBondContact O-CB 3.46Å; E149-K152 PolarHBondContact O-N 3.1Å; E149-L153 PolarHBondContact O-N 3.01Å |
| 150 | F | 72.8 | Confident | 68.3 | Low | 51 Ų | 51 | 67.3 Ų | 67.3 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 174.2 | -165.9 | -115.3 | 0 | 0 | 0 | 111.7 | R129 S146 K147 L153 Q154 | R129-F150 HydrophobicContact CG-CE2 4.19Å; R129-F150 HydrophobicContact CG-CZ 4.23Å; S146-F150 PolarHBondContact O-N 3.11Å; K147-F150 PolarHBondContact O-N 2.97Å; F150-L153 PolarHBondContact O-N 3.13Å; F150-Q154 VanDerWaalsContact CD1-NE2 3.33Å; F150-Q154 WeakPolarHBondContact O-CG 3.45Å; F150-Q154 PolarHBondContact O-N 3.12Å |
| 151 | V | 72.3 | Confident | 70.5 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 17% | 0.17 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 172.6 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | K147 E149 L153 Q154 Q155 D476 | K147-V151 PolarHBondContact O-N 3.41Å; E149-V151 VanDerWaalsContact C-N 3.32Å; E149-V151 PolarHBondContact O-N 3.38Å; V151-L153 VanDerWaalsContact C-N 3.27Å; V151-L153 PolarHBondContact O-N 3Å; V151-Q154 PolarHBondContact O-N 3.41Å; V151-Q154 VanDerWaalsContact O-N 3.09Å; V151-Q155 HydrophobicContact CG1-CG 4.2Å; V151-Q155 WeakPolarHBondContact O-CG 3.25Å; V151-Q155 PolarHBondContact O-N 2.86Å; V151-D476 WeakPolarHBondContact CG1-OD1 3.41Å |
| 152 | K | 75.8 | Confident | 72.1 | Confident | 89 Ų | 89 | 52.2 Ų | 52.2 | 39% | 0.387 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.8 | -41.4 | 175.6 | -69.2 | 161.3 | -162.5 | 151.9 | 0 | 111.5 | T148 E149 Q155 I156 | T148-K152 WeakPolarHBondContact O-CD 3.42Å; T148-K152 VanDerWaalsContact O-CG 3.24Å; T148-K152 WeakPolarHBondContact O-CG 3.28Å; T148-K152 PolarHBondContact O-N 3.2Å; T148-K152 PolarHBondContact OG1-NZ 3.3Å; T148-K152 VanDerWaalsContact OG1-NZ 3.07Å; E149-K152 WeakPolarHBondContact O-CB 3.46Å; E149-K152 PolarHBondContact O-N 3.1Å; K152-Q155 PolarHBondContact O-N 2.94Å; K152-I156 WeakPolarHBondContact O-CB 3.38Å; K152-I156 WeakPolarHBondContact O-CG1 3.42Å; K152-I156 PolarHBondContact O-N 2.92Å |
| 153 | L | 81.2 | Confident | 73.9 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.7 | 178.4 | 63.8 | 0 | 0 | 0 | 111.9 | I86 L100 I132 E149 F150 V151 I156 T157 | I86-L153 HydrophobicContact CG2-CD1 3.66Å; L100-L153 HydrophobicContact CD2-CD1 3.89Å; I132-L153 HydrophobicContact CD1-CD2 4.35Å; E149-L153 PolarHBondContact O-N 3.01Å; F150-L153 PolarHBondContact O-N 3.13Å; V151-L153 VanDerWaalsContact C-N 3.27Å; V151-L153 PolarHBondContact O-N 3Å; L153-I156 PolarHBondContact O-N 3.45Å; L153-T157 WeakPolarHBondContact O-CB 3.45Å; L153-T157 PolarHBondContact O-N 3.42Å; L153-T157 PolarHBondContact O-OG1 3.35Å |
| 154 | Q | 80.5 | Confident | 75.7 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 175.4 | -69.5 | -179.2 | 19.5 | 0 | 0 | 112.2 | F150 V151 I156 T157 V158 T198 N474 | F150-Q154 VanDerWaalsContact CD1-NE2 3.33Å; F150-Q154 WeakPolarHBondContact O-CG 3.45Å; F150-Q154 PolarHBondContact O-N 3.12Å; V151-Q154 PolarHBondContact O-N 3.41Å; V151-Q154 VanDerWaalsContact O-N 3.09Å; Q154-I156 PolarHBondContact O-N 3.01Å; Q154-T157 WeakPolarHBondContact O-CB 3.29Å; Q154-T157 PolarHBondContact O-N 3.09Å; Q154-V158 WeakPolarHBondContact O-CG2 3.5Å; Q154-V158 PolarHBondContact O-N 3.43Å; Q154-T198 HydrophobicContact CB-CG2 4.14Å; Q154-T198 HydrophobicContact CG-CG2 4.17Å; Q154-N474 PolarHBondContact OE1-ND2 3.02Å |
| 155 | Q | 78.2 | Confident | 77.3 | Confident | 43 Ų | 43 | 34.7 Ų | 34.7 | 20% | 0.201 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 176.3 | -75.3 | 169.7 | -5.4 | 0 | 0 | 111.5 | V151 K152 V158 L159 N474 | V151-Q155 HydrophobicContact CG1-CG 4.2Å; V151-Q155 WeakPolarHBondContact O-CG 3.25Å; V151-Q155 PolarHBondContact O-N 2.86Å; K152-Q155 PolarHBondContact O-N 2.94Å; Q155-V158 PolarHBondContact O-N 3.09Å; Q155-L159 WeakPolarHBondContact O-CG 3.39Å; Q155-L159 PolarHBondContact O-N 2.99Å; Q155-N474 WeakPolarHBondContact CG-O 3.44Å; Q155-N474 PolarHBondContact NE2-O 3.05Å |
| 156 | I | 82.6 | Confident | 78.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -39 | 175.9 | -76.7 | 163.5 | 0 | 0 | 0 | 111.9 | L100 L103 N104 K152 L153 Q154 V158 L159 C160 | L100-I156 HydrophobicContact CB-CD1 3.58Å; L100-I156 HydrophobicContact CD2-CB 4.33Å; L100-I156 HydrophobicContact CD2-CD1 3.47Å; L100-I156 VanDerWaalsContact CD2-CD1 3.47Å; L100-I156 HydrophobicContact CD2-CG1 4.49Å; L100-I156 HydrophobicContact CD2-CG2 4.16Å; L100-I156 HydrophobicContact CG-CD1 4.1Å; L100-I156 VanDerWaalsContact O-CD1 3.24Å; L100-I156 WeakPolarHBondContact O-CD1 3.2Å; L103-I156 HydrophobicContact CD2-CG2 3.56Å; L103-I156 HydrophobicContact CG-CG2 4.05Å; N104-I156 VanDerWaalsContact OD1-CG1 3.25Å; N104-I156 WeakPolarHBondContact OD1-CG1 3.47Å; K152-I156 WeakPolarHBondContact O-CB 3.38Å; K152-I156 WeakPolarHBondContact O-CG1 3.42Å; K152-I156 PolarHBondContact O-N 2.92Å; L153-I156 PolarHBondContact O-N 3.45Å; Q154-I156 PolarHBondContact O-N 3.01Å; I156-V158 VanDerWaalsContact C-N 3.34Å; I156-V158 PolarHBondContact O-N 2.9Å; I156-L159 PolarHBondContact O-N 3.46Å; I156-C160 WeakPolarHBondContact O-CB 3.15Å; I156-C160 PolarHBondContact O-N 2.73Å; I156-C160 PolarHBondContact O-SG 2.95Å |
| 157 | T | 85.4 | Confident | 79.6 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.1 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | F125 L153 Q154 C160 S161 F164 T198 Y199 | F125-T157 HydrophobicContact CB-CG2 3.88Å; F125-T157 HydrophobicContact CD1-CG2 4.48Å; F125-T157 HydrophobicContact CD2-CG2 4.12Å; F125-T157 HydrophobicContact CG-CG2 3.94Å; L153-T157 WeakPolarHBondContact O-CB 3.45Å; L153-T157 PolarHBondContact O-N 3.42Å; L153-T157 PolarHBondContact O-OG1 3.35Å; Q154-T157 WeakPolarHBondContact O-CB 3.29Å; Q154-T157 PolarHBondContact O-N 3.09Å; T157-C160 CarbonylContact O-C 3.6Å; T157-C160 WeakPolarHBondContact O-CA 3.35Å; T157-C160 WeakPolarHBondContact O-CB 3.36Å; T157-C160 PolarHBondContact O-N 2.98Å; T157-C160 VanDerWaalsContact O-N 3.15Å; T157-S161 PolarHBondContact O-N 2.84Å; T157-F164 HydrophobicContact CG2-CZ 4.31Å; T157-T198 HydrophobicContact CG2-CG2 4.08Å; T157-Y199 HydrophobicContact CG2-CD1 3.68Å; T157-Y199 HydrophobicContact CG2-CE1 3.69Å |
| 158 | V | 81.3 | Confident | 80.7 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.3 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | Q154 Q155 I156 C160 S161 T198 Y471 V473 | Q154-V158 WeakPolarHBondContact O-CG2 3.5Å; Q154-V158 PolarHBondContact O-N 3.43Å; Q155-V158 PolarHBondContact O-N 3.09Å; I156-V158 VanDerWaalsContact C-N 3.34Å; I156-V158 PolarHBondContact O-N 2.9Å; V158-C160 VanDerWaalsContact C-N 3.26Å; V158-C160 PolarHBondContact O-N 3.47Å; V158-S161 VanDerWaalsContact O-CB 3.24Å; V158-S161 WeakPolarHBondContact O-CB 3.12Å; V158-S161 PolarHBondContact O-N 3.32Å; V158-S161 VanDerWaalsContact O-N 3.09Å; V158-S161 PolarHBondContact O-OG 3.08Å; V158-T198 HydrophobicContact CG2-CG2 4.31Å; V158-Y471 WeakPolarHBondContact CG1-O 3.23Å; V158-V473 HydrophobicContact CG1-CB 3.94Å; V158-V473 HydrophobicContact CG1-CG2 3.96Å; V158-V473 HydrophobicContact CG2-CB 3.97Å |
| 159 | L | 80 | Confident | 81.8 | Confident | 36 Ų | 36 | 26.2 Ų | 26.2 | 19% | 0.188 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.4 | -30.6 | 173.1 | -66.5 | 173.4 | 0 | 0 | 0 | 112.5 | N104 L107 Q155 I156 S161 | N104-L159 WeakPolarHBondContact OD1-CD1 3.46Å; L107-L159 HydrophobicContact CD1-CB 3.83Å; Q155-L159 WeakPolarHBondContact O-CG 3.39Å; Q155-L159 PolarHBondContact O-N 2.99Å; I156-L159 PolarHBondContact O-N 3.46Å; L159-S161 VanDerWaalsContact C-N 3.34Å |
| 160 | C | 85.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74 | -22 | 173.1 | -68.8 | 0 | 0 | 0 | 0 | 113.4 | I120 F125 I156 T157 V158 K162 F163 F164 | I120-C160 HydrophobicContact CD1-CB 3.98Å; F125-C160 HydrophobicContact CE2-CB 3.86Å; F125-C160 HydrophobicContact CZ-CB 3.87Å; I156-C160 WeakPolarHBondContact O-CB 3.15Å; I156-C160 PolarHBondContact O-N 2.73Å; I156-C160 PolarHBondContact O-SG 2.95Å; T157-C160 CarbonylContact O-C 3.6Å; T157-C160 WeakPolarHBondContact O-CA 3.35Å; T157-C160 WeakPolarHBondContact O-CB 3.36Å; T157-C160 PolarHBondContact O-N 2.98Å; T157-C160 VanDerWaalsContact O-N 3.15Å; V158-C160 VanDerWaalsContact C-N 3.26Å; V158-C160 PolarHBondContact O-N 3.47Å; C160-K162 PolarHBondContact O-N 3.32Å; C160-F163 PolarHBondContact O-N 3.29Å; C160-F164 HydrophobicContact CB-CE1 4.15Å; C160-F164 HydrophobicContact CB-CZ 4.46Å |
| 161 | S | 85.2 | Confident | 83.8 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -57.1 | -24.2 | 179.8 | 75.7 | 0 | 0 | 0 | 0 | 113.9 | T157 V158 L159 F163 F164 P201 Y203 | T157-S161 PolarHBondContact O-N 2.84Å; V158-S161 VanDerWaalsContact O-CB 3.24Å; V158-S161 WeakPolarHBondContact O-CB 3.12Å; V158-S161 PolarHBondContact O-N 3.32Å; V158-S161 VanDerWaalsContact O-N 3.09Å; V158-S161 PolarHBondContact O-OG 3.08Å; L159-S161 VanDerWaalsContact C-N 3.34Å; S161-F163 PolarHBondContact O-N 3.12Å; S161-F163 VanDerWaalsContact O-N 3.07Å; S161-F164 PolarHBondContact O-N 3.33Å; S161-P201 WeakPolarHBondContact O-CB 3.47Å; S161-Y203 WeakPolarHBondContact OG-CE2 3.49Å; S161-Y203 PolarHBondContact OG-OH 2.82Å |
| 162 | K | 82.2 | Confident | 84.7 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.035 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -52.2 | -28.1 | 170.9 | -171.4 | -179.9 | 173.5 | 177 | 0 | 113.1 | S110 L113 S115 C160 Y203 E357 D360 L361 | S110-K162 PolarHBondContact O-NZ 3.08Å; S110-K162 VanDerWaalsContact O-NZ 3.07Å; L113-K162 PolarHBondContact O-NZ 3.28Å; S115-K162 WeakPolarHBondContact CB-O 3.22Å; C160-K162 PolarHBondContact O-N 3.32Å; K162-Y203 PolarHBondContact N-OH 3.14Å; K162-E357 IonicContact NZ-OE2 3.51Å; K162-E357 PolarHBondContact NZ-OE2 3.33Å; K162-D360 IonicContact NZ-OD2 3.49Å; K162-L361 HydrophobicContact CD-CD1 4.15Å; K162-L361 HydrophobicContact CD-CD2 4.36Å; K162-L361 HydrophobicContact CG-CD1 4.22Å; K162-L361 HydrophobicContact CG-CD2 3.76Å |
| 163 | F | 84.8 | Confident | 85.4 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -109.1 | 6 | -176.5 | -55.3 | -67.8 | 0 | 0 | 0 | 113.4 | L107 L113 L118 S119 I120 C160 S161 | L107-F163 HydrophobicContact CD2-CE2 3.72Å; L113-F163 HydrophobicContact CB-CE1 4.01Å; L113-F163 HydrophobicContact CB-CZ 3.88Å; L113-F163 HydrophobicContact CD1-CZ 3.99Å; L118-F163 HydrophobicContact CB-CD1 3.68Å; L118-F163 HydrophobicContact CB-CE1 4.15Å; L118-F163 HydrophobicContact CB-CG 4.19Å; L118-F163 HydrophobicContact CD2-CB 4.28Å; L118-F163 HydrophobicContact CD2-CD1 3.83Å; L118-F163 HydrophobicContact CD2-CD2 3.85Å; L118-F163 HydrophobicContact CD2-CE1 4.09Å; L118-F163 HydrophobicContact CD2-CE2 4.12Å; L118-F163 HydrophobicContact CD2-CG 3.7Å; L118-F163 HydrophobicContact CD2-CZ 4.23Å; L118-F163 HydrophobicContact CG-CB 3.98Å; L118-F163 HydrophobicContact CG-CD1 3.85Å; L118-F163 HydrophobicContact CG-CD2 4.46Å; L118-F163 HydrophobicContact CG-CE1 4.49Å; L118-F163 HydrophobicContact CG-CG 3.82Å; L118-F163 WeakPolarHBondContact O-CB 3.34Å; S119-F163 CarbonylContact C-O 3.15Å; S119-F163 WeakPolarHBondContact CA-O 3.48Å; I120-F163 HydrophobicContact CB-CB 4.34Å; I120-F163 HydrophobicContact CD1-CB 3.89Å; I120-F163 HydrophobicContact CD1-CD2 4.05Å; I120-F163 HydrophobicContact CD1-CG 4.32Å; I120-F163 HydrophobicContact CG1-CB 3.88Å; I120-F163 PolarHBondContact N-O 2.78Å; C160-F163 PolarHBondContact O-N 3.29Å; S161-F163 PolarHBondContact O-N 3.12Å; S161-F163 VanDerWaalsContact O-N 3.07Å |
| 164 | F | 88.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -71.6 | 138.5 | 171.3 | -61.5 | -10.9 | 0 | 0 | 0 | 109.4 | I120 W122 F125 T157 C160 S161 Y199 P201 Y206 | I120-F164 HydrophobicContact CB-CD1 4.21Å; I120-F164 HydrophobicContact CB-CE1 4.29Å; I120-F164 HydrophobicContact CG2-CE1 4.18Å; I120-F164 WeakPolarHBondContact O-CD1 3.47Å; W122-F164 HydrophobicContact CB-CD1 4.12Å; W122-F164 HydrophobicContact CB-CD2 3.61Å; W122-F164 HydrophobicContact CB-CE1 4.05Å; W122-F164 HydrophobicContact CB-CE2 3.54Å; W122-F164 HydrophobicContact CB-CG 3.93Å; W122-F164 HydrophobicContact CB-CZ 3.78Å; F125-F164 HydrophobicContact CD2-CE1 4.19Å; F125-F164 HydrophobicContact CD2-CZ 4.07Å; F125-F164 AromaticContact CE2-CE1 4Å; F125-F164 HydrophobicContact CE2-CE1 4Å; F125-F164 HydrophobicContact CE2-CZ 4.21Å; T157-F164 HydrophobicContact CG2-CZ 4.31Å; C160-F164 HydrophobicContact CB-CE1 4.15Å; C160-F164 HydrophobicContact CB-CZ 4.46Å; S161-F164 PolarHBondContact O-N 3.33Å; F164-Y199 VanDerWaalsContact CD2-O 3.31Å; F164-Y199 WeakPolarHBondContact CD2-O 3.41Å; F164-Y199 WeakPolarHBondContact CE2-O 3.34Å; F164-P201 HydrophobicContact CB-CB 4.47Å; F164-Y206 PolarHBondContact O-OH 3.29Å; F164-Y206 VanDerWaalsContact O-OH 3.05Å |
| 165 | P | 85.8 | Confident | 86.2 | Confident | 46 Ų | 46 | 28.5 Ų | 28.5 | 30% | 0.299 | 15% | 0.146 | S | C | . | . | trans | -65.6 | 157.8 | 177.7 | 28 | -33.2 | 0 | 0 | 0 | 110.7 | I120 S167 S168 | I120-P165 WeakPolarHBondContact O-CD 3.4Å; P165-S167 PolarHBondContact O-N 3.11Å; P165-S167 VanDerWaalsContact O-N 3.17Å; P165-S168 WeakPolarHBondContact CD-OG 3.18Å; P165-S168 WeakPolarHBondContact CG-OG 3.28Å; P165-S168 WeakPolarHBondContact O-CB 3.49Å; P165-S168 PolarHBondContact O-N 3Å; P165-S168 PolarHBondContact O-OG 3.39Å | ||
| 166 | K | 84.8 | Confident | 86.7 | Confident | 98 Ų | 98 | 26.4 Ų | 26.4 | 43% | 0.426 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -34.3 | -178.4 | 178.2 | 177.2 | 160.2 | 169.1 | 0 | 112.4 | S168 V169 Y206 E209 | K166-S168 PolarHBondContact O-N 3.14Å; K166-V169 PolarHBondContact O-N 2.95Å; K166-Y206 HydrophobicContact CB-CD1 4.28Å; K166-Y206 HydrophobicContact CB-CE1 3.89Å; K166-Y206 HydrophobicContact CG-CD1 4.14Å; K166-Y206 HydrophobicContact CG-CE1 4.25Å; K166-E209 WeakPolarHBondContact CE-OE1 3.48Å; K166-E209 WeakPolarHBondContact CE-OE2 3.36Å; K166-E209 HydrophobicContact CG-CG 4.33Å; K166-E209 VanDerWaalsContact NZ-CD 3.32Å; K166-E209 IonicContact NZ-OE1 3.96Å; K166-E209 IonicContact NZ-OE2 2.6Å; K166-E209 PolarHBondContact NZ-OE2 2.98Å |
| 167 | S | 86.5 | Confident | 86.9 | Confident | 55 Ų | 55 | 31.4 Ų | 31.4 | 39% | 0.385 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.2 | 178.8 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | P165 V169 E170 E171 | P165-S167 PolarHBondContact O-N 3.11Å; P165-S167 VanDerWaalsContact O-N 3.17Å; S167-V169 PolarHBondContact O-N 3.35Å; S167-V169 VanDerWaalsContact O-N 3.14Å; S167-E170 WeakPolarHBondContact O-CA 3.4Å; S167-E170 PolarHBondContact O-N 3.39Å; S167-E171 WeakPolarHBondContact CB-OE1 3.13Å; S167-E171 WeakPolarHBondContact O-CG 3.2Å; S167-E171 PolarHBondContact O-N 3.21Å; S167-E171 PolarHBondContact OG-OE1 3.5Å |
| 168 | S | 88.2 | Confident | 87 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -19 | 179.9 | -55.7 | 0 | 0 | 0 | 0 | 113.8 | W122 P165 K166 E170 E171 V172 | W122-S168 VanDerWaalsContact CD1-CB 3.44Å; P165-S168 WeakPolarHBondContact CD-OG 3.18Å; P165-S168 WeakPolarHBondContact CG-OG 3.28Å; P165-S168 WeakPolarHBondContact O-CB 3.49Å; P165-S168 PolarHBondContact O-N 3Å; P165-S168 PolarHBondContact O-OG 3.39Å; K166-S168 PolarHBondContact O-N 3.14Å; S168-E170 VanDerWaalsContact C-N 3.27Å; S168-E170 PolarHBondContact O-N 3.14Å; S168-E171 VanDerWaalsContact CA-OE2 3.32Å; S168-E171 WeakPolarHBondContact CA-OE2 3.31Å; S168-E171 PolarHBondContact OG-OE2 2.72Å; S168-V172 WeakPolarHBondContact O-CB 3.44Å; S168-V172 WeakPolarHBondContact O-CG2 3.22Å; S168-V172 PolarHBondContact O-N 3.18Å |
| 169 | V | 87.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -35.7 | 169.1 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | K166 S167 W173 P201 E209 I210 | K166-V169 PolarHBondContact O-N 2.95Å; S167-V169 PolarHBondContact O-N 3.35Å; S167-V169 VanDerWaalsContact O-N 3.14Å; V169-W173 WeakPolarHBondContact O-CB 3.46Å; V169-P201 HydrophobicContact CG2-CG 3.79Å; V169-E209 HydrophobicContact CB-CB 4.45Å; V169-E209 HydrophobicContact CB-CG 3.96Å; V169-E209 HydrophobicContact CG1-CB 4.23Å; V169-E209 HydrophobicContact CG1-CG 4.02Å; V169-E209 HydrophobicContact CG2-CG 4.45Å; V169-I210 HydrophobicContact CG1-CG1 3.72Å |
| 170 | E | 91 | Very high | 87.2 | Confident | 74 Ų | 74 | 37.1 Ų | 37.1 | 35% | 0.346 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -87.7 | -40 | 178.8 | -162.7 | 166.5 | 135.1 | 0 | 0 | 111.8 | S167 S168 W173 L174 R212 V213 | S167-E170 WeakPolarHBondContact O-CA 3.4Å; S167-E170 PolarHBondContact O-N 3.39Å; S168-E170 VanDerWaalsContact C-N 3.27Å; S168-E170 PolarHBondContact O-N 3.14Å; E170-W173 PolarHBondContact O-N 2.99Å; E170-L174 HydrophobicContact CG-CD1 4.21Å; E170-L174 VanDerWaalsContact O-CG 3.3Å; E170-L174 WeakPolarHBondContact O-CG 3.22Å; E170-L174 PolarHBondContact O-N 3.35Å; E170-R212 IonicContact OE2-CZ 2.6Å; E170-R212 IonicContact OE2-NH1 2.68Å; E170-R212 PolarHBondContact OE2-NH1 3.13Å; E170-R212 IonicContact OE2-NH2 3.67Å; E170-R212 PolarHBondContact OE2-NH2 3.23Å; E170-V213 HydrophobicContact CB-CG1 4.19Å; E170-V213 HydrophobicContact CB-CG2 4.1Å; E170-V213 HydrophobicContact CG-CG1 4.1Å; E170-V213 HydrophobicContact CG-CG2 4.13Å |
| 171 | E | 91.4 | Very high | 86.9 | Confident | 74 Ų | 74 | 39.3 Ų | 39.3 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.1 | -49.8 | 175.6 | -59.1 | 153 | -165.4 | 0 | 0 | 112.1 | W122 S167 S168 W173 L174 E175 | W122-E171 HydrophobicContact CZ2-CB 3.91Å; W122-E171 PolarHBondContact NE1-OE2 2.71Å; S167-E171 WeakPolarHBondContact CB-OE1 3.13Å; S167-E171 WeakPolarHBondContact O-CG 3.2Å; S167-E171 PolarHBondContact O-N 3.21Å; S167-E171 PolarHBondContact OG-OE1 3.5Å; S168-E171 VanDerWaalsContact CA-OE2 3.32Å; S168-E171 WeakPolarHBondContact CA-OE2 3.31Å; S168-E171 PolarHBondContact OG-OE2 2.72Å; E171-W173 VanDerWaalsContact C-N 3.33Å; E171-W173 PolarHBondContact O-N 2.92Å; E171-L174 PolarHBondContact O-N 3.23Å; E171-E175 PolarHBondContact O-N 2.84Å |
| 172 | V | 90.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 179.6 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | W122 S168 F176 F196 T200 | W122-V172 HydrophobicContact CD2-CG2 3.4Å; W122-V172 HydrophobicContact CE3-CG2 3.65Å; W122-V172 HydrophobicContact CG-CG2 3.9Å; W122-V172 HydrophobicContact CH2-CG2 4.05Å; W122-V172 HydrophobicContact CZ2-CG2 3.84Å; W122-V172 HydrophobicContact CZ3-CG2 3.97Å; S168-V172 WeakPolarHBondContact O-CB 3.44Å; S168-V172 WeakPolarHBondContact O-CG2 3.22Å; S168-V172 PolarHBondContact O-N 3.18Å; V172-F176 HydrophobicContact CG1-CD2 3.71Å; V172-F176 HydrophobicContact CG1-CE2 3.94Å; V172-F176 VanDerWaalsContact O-CD2 3.28Å; V172-F176 WeakPolarHBondContact O-CD2 3.44Å; V172-F176 PolarHBondContact O-N 3.49Å; V172-F176 VanDerWaalsContact O-N 3.1Å; V172-F196 HydrophobicContact CG1-CD2 3.91Å; V172-F196 HydrophobicContact CG1-CE2 4.37Å; V172-T200 WeakPolarHBondContact CG1-OG1 3.21Å |
| 173 | W | 91.4 | Very high | 86.4 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -48.6 | 175.5 | -176.2 | -127.5 | 0 | 0 | 0 | 111.8 | V169 E170 E171 E175 F176 R177 I180 F196 V213 W214 D217 I218 L221 | V169-W173 WeakPolarHBondContact O-CB 3.46Å; E170-W173 PolarHBondContact O-N 2.99Å; E171-W173 VanDerWaalsContact C-N 3.33Å; E171-W173 PolarHBondContact O-N 2.92Å; W173-E175 VanDerWaalsContact C-N 3.33Å; W173-E175 PolarHBondContact O-N 3.22Å; W173-F176 PolarHBondContact O-N 2.98Å; W173-R177 HydrophobicContact CD2-CB 4.04Å; W173-R177 HydrophobicContact CD2-CG 4.43Å; W173-R177 HydrophobicContact CE3-CB 4.41Å; W173-R177 HydrophobicContact CG-CB 4.5Å; W173-R177 HydrophobicContact CH2-CB 4.48Å; W173-R177 HydrophobicContact CH2-CG 4.33Å; W173-R177 HydrophobicContact CZ2-CB 4.08Å; W173-R177 HydrophobicContact CZ2-CG 3.67Å; W173-R177 WeakPolarHBondContact O-CA 3.22Å; W173-R177 WeakPolarHBondContact O-CB 3.45Å; W173-R177 PolarHBondContact O-N 3Å; W173-I180 HydrophobicContact CZ3-CD1 3.84Å; W173-F196 AromaticContact CE3-CD2 3.97Å; W173-F196 HydrophobicContact CE3-CD2 3.97Å; W173-F196 AromaticContact CE3-CE2 3.54Å; W173-F196 HydrophobicContact CE3-CE2 3.54Å; W173-F196 HydrophobicContact CE3-CZ 4.08Å; W173-F196 HydrophobicContact CZ3-CD2 4.44Å; W173-F196 HydrophobicContact CZ3-CE2 4.18Å; W173-F196 HydrophobicContact CZ3-CZ 4.41Å; W173-V213 HydrophobicContact CB-CG1 3.84Å; W173-V213 HydrophobicContact CG-CG1 4.05Å; W173-V213 PolarHBondContact NE1-O 2.82Å; W173-W214 HydrophobicContact CB-CB 4.29Å; W173-W214 HydrophobicContact CB-CG 4.5Å; W173-W214 HydrophobicContact CD2-CB 3.37Å; W173-W214 HydrophobicContact CD2-CG 4.2Å; W173-W214 VanDerWaalsContact CE2-CB 3.46Å; W173-W214 HydrophobicContact CE3-CB 3.88Å; W173-W214 HydrophobicContact CE3-CG 4.4Å; W173-W214 HydrophobicContact CG-CB 3.56Å; W173-W214 HydrophobicContact CG-CG 4.25Å; W173-W214 HydrophobicContact CH2-CB 4.48Å; W173-W214 HydrophobicContact CZ2-CB 4.06Å; W173-W214 HydrophobicContact CZ3-CB 4.39Å; W173-D217 HydrophobicContact CH2-CB 4.28Å; W173-D217 HydrophobicContact CZ2-CB 3.53Å; W173-D217 VanDerWaalsContact CZ2-OD2 3.3Å; W173-D217 WeakPolarHBondContact CZ2-OD2 3.45Å; W173-D217 PolarHBondContact NE1-OD2 3.44Å; W173-I218 HydrophobicContact CH2-CD1 3.98Å; W173-I218 HydrophobicContact CH2-CG1 4.35Å; W173-I218 HydrophobicContact CZ3-CD1 4.09Å; W173-L221 HydrophobicContact CH2-CD1 4.38Å |
| 174 | L | 90 | Very high | 85.8 | Confident | 105 Ų | 105 | 43.2 Ų | 43.2 | 55% | 0.55 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.3 | -37 | -178.4 | -68.7 | 170.4 | 0 | 0 | 0 | 112.9 | E170 E171 | E170-L174 HydrophobicContact CG-CD1 4.21Å; E170-L174 VanDerWaalsContact O-CG 3.3Å; E170-L174 WeakPolarHBondContact O-CG 3.22Å; E170-L174 PolarHBondContact O-N 3.35Å; E171-L174 PolarHBondContact O-N 3.23Å |
| 175 | E | 89.4 | Confident | 85 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 175.3 | -174.6 | 73.8 | -119.4 | 0 | 0 | 112.1 | W122 R123 F126 E171 W173 H178 R179 | W122-E175 HydrophobicContact CH2-CB 4.06Å; W122-E175 HydrophobicContact CH2-CG 4.12Å; R123-E175 IonicContact CZ-OE2 3.73Å; R123-E175 IonicContact NH1-OE2 2.96Å; R123-E175 PolarHBondContact NH1-OE2 2.78Å; R123-E175 IonicContact NH2-OE2 2.66Å; R123-E175 PolarHBondContact NH2-OE2 2.95Å; R123-E175 VanDerWaalsContact NH2-OE2 3.08Å; F126-E175 HydrophobicContact CE1-CG 4.16Å; F126-E175 HydrophobicContact CZ-CG 4.39Å; E171-E175 PolarHBondContact O-N 2.84Å; W173-E175 VanDerWaalsContact C-N 3.33Å; W173-E175 PolarHBondContact O-N 3.22Å; E175-H178 PolarHBondContact O-CE1 3.09Å; E175-H178 PolarHBondContact O-ND1 3.37Å; E175-H178 VanDerWaalsContact O-ND1 3.14Å; E175-R179 IonicContact OE1-CZ 3.75Å; E175-R179 IonicContact OE1-NE 3.42Å; E175-R179 IonicContact OE1-NH2 2.68Å; E175-R179 PolarHBondContact OE1-NH2 3.09Å |
| 176 | F | 88.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -91.3 | -26.3 | -178.1 | -70.2 | -66.1 | 0 | 0 | 0 | 115.6 | W122 F126 V172 W173 H178 R179 I180 F192 H195 F196 Y199 | W122-F176 HydrophobicContact CZ3-CE2 4.49Å; F126-F176 HydrophobicContact CD2-CE1 4.41Å; F126-F176 AromaticContact CD2-CZ 3.68Å; F126-F176 HydrophobicContact CD2-CZ 3.68Å; F126-F176 AromaticContact CE2-CE1 3.64Å; F126-F176 HydrophobicContact CE2-CE1 3.64Å; F126-F176 HydrophobicContact CE2-CE2 4.47Å; F126-F176 AromaticContact CE2-CZ 3.36Å; F126-F176 HydrophobicContact CE2-CZ 3.36Å; F126-F176 HydrophobicContact CZ-CE1 4.18Å; F126-F176 HydrophobicContact CZ-CZ 4.1Å; V172-F176 HydrophobicContact CG1-CD2 3.71Å; V172-F176 HydrophobicContact CG1-CE2 3.94Å; V172-F176 VanDerWaalsContact O-CD2 3.28Å; V172-F176 WeakPolarHBondContact O-CD2 3.44Å; V172-F176 PolarHBondContact O-N 3.49Å; V172-F176 VanDerWaalsContact O-N 3.1Å; W173-F176 PolarHBondContact O-N 2.98Å; F176-H178 VanDerWaalsContact C-N 3.32Å; F176-H178 PolarHBondContact O-N 3.03Å; F176-R179 CarbonylContact O-C 3.55Å; F176-R179 WeakPolarHBondContact O-CA 3.28Å; F176-R179 PolarHBondContact O-N 3.16Å; F176-I180 HydrophobicContact CB-CD1 3.81Å; F176-I180 HydrophobicContact CB-CG1 4.37Å; F176-I180 WeakPolarHBondContact O-CG1 3.01Å; F176-I180 PolarHBondContact O-N 2.88Å; F176-F192 HydrophobicContact CD1-CB 4.18Å; F176-F192 HydrophobicContact CD1-CD1 4.15Å; F176-F192 HydrophobicContact CE1-CD1 4.16Å; F176-H195 HydrophobicContact CD1-CB 4.32Å; F176-H195 HydrophobicContact CE1-CB 3.57Å; F176-H195 HydrophobicContact CZ-CB 3.71Å; F176-F196 HydrophobicContact CB-CB 4.27Å; F176-F196 HydrophobicContact CB-CD2 4.49Å; F176-F196 HydrophobicContact CD2-CB 4.09Å; F176-F196 HydrophobicContact CD2-CD2 4.47Å; F176-F196 HydrophobicContact CG-CB 4.21Å; F176-Y199 AromaticContact CE2-CD2 3.74Å; F176-Y199 HydrophobicContact CE2-CD2 3.74Å; F176-Y199 HydrophobicContact CE2-CE2 4.43Å; F176-Y199 AromaticContact CZ-CD2 3.79Å; F176-Y199 HydrophobicContact CZ-CD2 3.79Å; F176-Y199 HydrophobicContact CZ-CE2 4.01Å |
| 177 | R | 86.8 | Confident | 83.4 | Confident | 106 Ų | 106 | 50.4 Ų | 50.4 | 40% | 0.4 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -52.5 | -46.4 | -173.8 | -177.5 | -175.6 | -158.9 | -144.9 | 8.7 | 112.4 | W173 I180 C181 D217 | W173-R177 HydrophobicContact CD2-CB 4.04Å; W173-R177 HydrophobicContact CD2-CG 4.43Å; W173-R177 HydrophobicContact CE3-CB 4.41Å; W173-R177 HydrophobicContact CG-CB 4.5Å; W173-R177 HydrophobicContact CH2-CB 4.48Å; W173-R177 HydrophobicContact CH2-CG 4.33Å; W173-R177 HydrophobicContact CZ2-CB 4.08Å; W173-R177 HydrophobicContact CZ2-CG 3.67Å; W173-R177 WeakPolarHBondContact O-CA 3.22Å; W173-R177 WeakPolarHBondContact O-CB 3.45Å; W173-R177 PolarHBondContact O-N 3Å; R177-I180 PolarHBondContact O-N 3.33Å; R177-C181 WeakPolarHBondContact O-CB 3.48Å; R177-C181 PolarHBondContact O-N 2.83Å; R177-C181 PolarHBondContact O-SG 3.3Å; R177-D217 IonicContact CZ-OD2 3.03Å; R177-D217 IonicContact NE-OD2 3.73Å; R177-D217 PolarHBondContact NE-OD2 3.16Å; R177-D217 IonicContact NH2-OD1 3.17Å; R177-D217 IonicContact NH2-OD2 3.6Å; R177-D217 PolarHBondContact NH2-OD2 3.27Å |
| 178 | H | 86 | Confident | 82.3 | Confident | 113 Ų | 113 | 50.5 Ų | 50.5 | 52% | 0.523 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.8 | -34.4 | 179.5 | 73 | -89.4 | 0 | 0 | 0 | 112.6 | E175 F176 S182 | E175-H178 PolarHBondContact O-CE1 3.09Å; E175-H178 PolarHBondContact O-ND1 3.37Å; E175-H178 VanDerWaalsContact O-ND1 3.14Å; F176-H178 VanDerWaalsContact C-N 3.32Å; F176-H178 PolarHBondContact O-N 3.03Å; H178-S182 WeakPolarHBondContact O-CB 3.39Å; H178-S182 PolarHBondContact O-N 3.15Å |
| 179 | R | 84 | Confident | 81.1 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 18% | 0.181 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.1 | -41.4 | 176.1 | -49.5 | -167.4 | -166.5 | -164.6 | 10.6 | 111.6 | E130 E175 F176 S182 D183 F192 | E130-R179 IonicContact OE1-CZ 2.75Å; E130-R179 VanDerWaalsContact OE1-CZ 3.28Å; E130-R179 IonicContact OE1-NH1 3.92Å; E130-R179 PolarHBondContact OE1-NH1 3.41Å; E130-R179 IonicContact OE1-NH2 3.71Å; E130-R179 PolarHBondContact OE1-NH2 3.41Å; E175-R179 IonicContact OE1-CZ 3.75Å; E175-R179 IonicContact OE1-NE 3.42Å; E175-R179 IonicContact OE1-NH2 2.68Å; E175-R179 PolarHBondContact OE1-NH2 3.09Å; F176-R179 CarbonylContact O-C 3.55Å; F176-R179 WeakPolarHBondContact O-CA 3.28Å; F176-R179 PolarHBondContact O-N 3.16Å; R179-S182 WeakPolarHBondContact O-CB 3.16Å; R179-S182 PolarHBondContact O-N 2.76Å; R179-S182 VanDerWaalsContact O-N 3.16Å; R179-D183 PolarHBondContact O-N 3.41Å; R179-F192 HydrophobicContact CB-CB 4.22Å; R179-F192 HydrophobicContact CB-CD1 4.28Å; R179-F192 HydrophobicContact CB-CD2 3.54Å; R179-F192 HydrophobicContact CB-CE2 3.94Å; R179-F192 HydrophobicContact CB-CG 3.74Å; R179-F192 HydrophobicContact CB-CZ 4.46Å |
| 180 | I | 82.4 | Confident | 80 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 174.2 | -68.8 | 162.3 | 0 | 0 | 0 | 110.6 | W173 F176 R177 S182 D183 I184 I190 F192 L193 F196 L221 | W173-I180 HydrophobicContact CZ3-CD1 3.84Å; F176-I180 HydrophobicContact CB-CD1 3.81Å; F176-I180 HydrophobicContact CB-CG1 4.37Å; F176-I180 WeakPolarHBondContact O-CG1 3.01Å; F176-I180 PolarHBondContact O-N 2.88Å; R177-I180 PolarHBondContact O-N 3.33Å; I180-S182 PolarHBondContact O-N 2.75Å; I180-D183 PolarHBondContact O-N 3.4Å; I180-I184 HydrophobicContact CG2-CD1 3.83Å; I180-I184 WeakPolarHBondContact O-CB 3.28Å; I180-I184 WeakPolarHBondContact O-CD1 3.33Å; I180-I184 VanDerWaalsContact O-CG1 3.22Å; I180-I184 WeakPolarHBondContact O-CG1 3.23Å; I180-I184 PolarHBondContact O-N 3.06Å; I180-I184 VanDerWaalsContact O-N 3.12Å; I180-I190 HydrophobicContact CG2-CG2 4.13Å; I180-F192 HydrophobicContact CG1-CB 4.04Å; I180-L193 HydrophobicContact CD1-CD1 3.7Å; I180-L193 HydrophobicContact CG1-CD1 4.21Å; I180-L193 HydrophobicContact CG2-CD1 4.38Å; I180-F196 HydrophobicContact CD1-CB 4.22Å; I180-F196 HydrophobicContact CD1-CG 4.44Å; I180-L221 HydrophobicContact CG2-CD1 4.32Å |
| 181 | C | 79.9 | Confident | 79 | Confident | 46 Ų | 46 | 60.6 Ų | 60.6 | 31% | 0.311 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -31.4 | 174.4 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | R177 L185 | R177-C181 WeakPolarHBondContact O-CB 3.48Å; R177-C181 PolarHBondContact O-N 2.83Å; R177-C181 PolarHBondContact O-SG 3.3Å; C181-L185 WeakPolarHBondContact O-CB 3.28Å; C181-L185 WeakPolarHBondContact O-CD1 3.33Å; C181-L185 VanDerWaalsContact O-CG 3.23Å; C181-L185 WeakPolarHBondContact O-CG 3.45Å; C181-L185 PolarHBondContact O-N 3.25Å |
| 182 | S | 80.5 | Confident | 78.3 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.4 | -52.4 | 173.4 | -168.7 | 0 | 0 | 0 | 0 | 111.9 | H178 R179 I180 I184 L185 T186 | H178-S182 WeakPolarHBondContact O-CB 3.39Å; H178-S182 PolarHBondContact O-N 3.15Å; R179-S182 WeakPolarHBondContact O-CB 3.16Å; R179-S182 PolarHBondContact O-N 2.76Å; R179-S182 VanDerWaalsContact O-N 3.16Å; I180-S182 PolarHBondContact O-N 2.75Å; S182-I184 PolarHBondContact O-N 3.45Å; S182-L185 PolarHBondContact O-N 3.23Å; S182-T186 PolarHBondContact O-N 2.89Å; S182-T186 PolarHBondContact O-OG1 3.43Å |
| 183 | D | 75.6 | Confident | 77.7 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -51.1 | -43.5 | 177.6 | -79.4 | 1.4 | 0 | 0 | 0 | 111.3 | R179 I180 T186 G187 T188 I190 R191 F192 | R179-D183 PolarHBondContact O-N 3.41Å; I180-D183 PolarHBondContact O-N 3.4Å; D183-T186 WeakPolarHBondContact CA-OG1 3.18Å; D183-T186 PolarHBondContact O-N 3.11Å; D183-T186 PolarHBondContact O-OG1 2.88Å; D183-T186 VanDerWaalsContact O-OG1 3.13Å; D183-G187 PolarHBondContact O-N 3.07Å; D183-T188 WeakPolarHBondContact CA-OG1 3.27Å; D183-T188 PolarHBondContact O-N 3.46Å; D183-T188 VanDerWaalsContact O-N 3.13Å; D183-T188 PolarHBondContact O-OG1 2.82Å; D183-I190 HydrophobicContact CB-CB 4.48Å; D183-I190 HydrophobicContact CB-CG2 4.01Å; D183-I190 WeakPolarHBondContact OD2-CA 3.48Å; D183-R191 PolarHBondContact OD2-N 3.05Å; D183-F192 VanDerWaalsContact OD1-CD2 3.32Å; D183-F192 WeakPolarHBondContact OD1-CD2 3.49Å; D183-F192 VanDerWaalsContact OD2-CD2 3.29Å; D183-F192 WeakPolarHBondContact OD2-CD2 3.46Å; D183-F192 PolarHBondContact OD2-N 2.66Å; D183-F192 VanDerWaalsContact OD2-N 3.16Å |
| 184 | I | 72.6 | Confident | 77 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 179.3 | -69.9 | 171.4 | 0 | 0 | 0 | 111.6 | I180 S182 T186 G187 I190 L221 H225 | I180-I184 HydrophobicContact CG2-CD1 3.83Å; I180-I184 WeakPolarHBondContact O-CB 3.28Å; I180-I184 WeakPolarHBondContact O-CD1 3.33Å; I180-I184 VanDerWaalsContact O-CG1 3.22Å; I180-I184 WeakPolarHBondContact O-CG1 3.23Å; I180-I184 PolarHBondContact O-N 3.06Å; I180-I184 VanDerWaalsContact O-N 3.12Å; S182-I184 PolarHBondContact O-N 3.45Å; I184-T186 VanDerWaalsContact C-N 3.33Å; I184-G187 PolarHBondContact O-N 3.2Å; I184-I190 HydrophobicContact CD1-CD1 3.93Å; I184-I190 HydrophobicContact CG1-CD1 3.62Å; I184-I190 HydrophobicContact CG1-CG1 3.92Å; I184-I190 HydrophobicContact CG1-CG2 4.41Å; I184-L221 HydrophobicContact CD1-CD1 4.38Å; I184-L221 HydrophobicContact CD1-CD2 3.91Å; I184-H225 WeakPolarHBondContact CG2-CE1 3.35Å; I184-H225 WeakPolarHBondContact CG2-NE2 3.28Å |
| 185 | L | 71.4 | Confident | 76.6 | Confident | 151 Ų | 151 | 55.9 Ų | 55.9 | 79% | 0.791 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70.1 | -27.3 | 176.8 | -75.3 | 169.6 | 0 | 0 | 0 | 113.1 | C181 S182 G187 | C181-L185 WeakPolarHBondContact O-CB 3.28Å; C181-L185 WeakPolarHBondContact O-CD1 3.33Å; C181-L185 VanDerWaalsContact O-CG 3.23Å; C181-L185 WeakPolarHBondContact O-CG 3.45Å; C181-L185 PolarHBondContact O-N 3.25Å; S182-L185 PolarHBondContact O-N 3.23Å; L185-G187 VanDerWaalsContact C-N 3.33Å |
| 186 | T | 71.6 | Confident | 76.4 | Confident | 90 Ų | 90 | 54 Ų | 54 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.9 | 175.1 | 45.7 | 0 | 0 | 0 | 0 | 113.9 | S182 D183 I184 T188 | S182-T186 PolarHBondContact O-N 2.89Å; S182-T186 PolarHBondContact O-OG1 3.43Å; D183-T186 WeakPolarHBondContact CA-OG1 3.18Å; D183-T186 PolarHBondContact O-N 3.11Å; D183-T186 PolarHBondContact O-OG1 2.88Å; D183-T186 VanDerWaalsContact O-OG1 3.13Å; I184-T186 VanDerWaalsContact C-N 3.33Å; T186-T188 PolarHBondContact O-N 3Å; T186-T188 PolarHBondContact OG1-OG1 3.41Å |
| 187 | G | 65.7 | Low | 76.1 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 14.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D183 I184 L185 | D183-G187 PolarHBondContact O-N 3.07Å; I184-G187 PolarHBondContact O-N 3.2Å; L185-G187 VanDerWaalsContact C-N 3.33Å |
| 188 | T | 64.4 | Low | 75.9 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | trans | -84.4 | 148.5 | 178.5 | 41.1 | 0 | 0 | 0 | 0 | 110.4 | D183 T186 I190 | D183-T188 WeakPolarHBondContact CA-OG1 3.27Å; D183-T188 PolarHBondContact O-N 3.46Å; D183-T188 VanDerWaalsContact O-N 3.13Å; D183-T188 PolarHBondContact O-OG1 2.82Å; T186-T188 PolarHBondContact O-N 3Å; T186-T188 PolarHBondContact OG1-OG1 3.41Å; T188-I190 PolarHBondContact O-N 3.05Å | ||
| 189 | P | 61.9 | Low | 75.9 | Confident | 91 Ų | 91 | 44 Ų | 44 | 59% | 0.591 | 25% | 0.249 | S | C | * | . | trans | -55.6 | 131.4 | 174 | 24.2 | -34 | 0 | 0 | 0 | 110.1 | R191 N230 | P189-R191 VanDerWaalsContact C-N 3.27Å; P189-R191 PolarHBondContact O-N 3.21Å; P189-N230 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 190 | I | 65.5 | Low | 76 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | trans | -71.7 | 74.8 | -166.9 | -40.2 | 173.3 | 0 | 0 | 0 | 112.2 | I180 D183 I184 T188 F192 L193 N230 I234 | I180-I190 HydrophobicContact CG2-CG2 4.13Å; D183-I190 HydrophobicContact CB-CB 4.48Å; D183-I190 HydrophobicContact CB-CG2 4.01Å; D183-I190 WeakPolarHBondContact OD2-CA 3.48Å; I184-I190 HydrophobicContact CD1-CD1 3.93Å; I184-I190 HydrophobicContact CG1-CD1 3.62Å; I184-I190 HydrophobicContact CG1-CG1 3.92Å; I184-I190 HydrophobicContact CG1-CG2 4.41Å; T188-I190 PolarHBondContact O-N 3.05Å; I190-F192 VanDerWaalsContact C-N 3.34Å; I190-F192 PolarHBondContact O-N 3Å; I190-L193 HydrophobicContact CB-CB 4.31Å; I190-L193 HydrophobicContact CG2-CB 3.84Å; I190-L193 HydrophobicContact CG2-CD2 4.46Å; I190-L193 WeakPolarHBondContact O-CB 3.4Å; I190-L193 PolarHBondContact O-N 3.37Å; I190-N230 HydrophobicContact CD1-CB 4.07Å; I190-N230 HydrophobicContact CG1-CB 4.27Å; I190-I234 HydrophobicContact CD1-CD1 4.26Å | ||
| 191 | R | 69.3 | Low | 76.1 | Confident | 181 Ų | 181 | 41.8 Ų | 41.8 | 68% | 0.683 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60.6 | -40.6 | -176.1 | -74.4 | 177.2 | 62.2 | 160.5 | -0.4 | 112 | D183 P189 L193 G194 H195 | D183-R191 PolarHBondContact OD2-N 3.05Å; P189-R191 VanDerWaalsContact C-N 3.27Å; P189-R191 PolarHBondContact O-N 3.21Å; R191-L193 PolarHBondContact O-N 2.93Å; R191-G194 PolarHBondContact O-N 2.92Å; R191-H195 PolarHBondContact O-CD2 3.17Å |
| 192 | F | 77.4 | Confident | 76.2 | Confident | 52 Ų | 52 | 40.2 Ų | 40.2 | 23% | 0.228 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.1 | -15.4 | -177 | -68.7 | -67.4 | 0 | 0 | 0 | 113.6 | F176 R179 I180 D183 I190 H195 F196 | F176-F192 HydrophobicContact CD1-CB 4.18Å; F176-F192 HydrophobicContact CD1-CD1 4.15Å; F176-F192 HydrophobicContact CE1-CD1 4.16Å; R179-F192 HydrophobicContact CB-CB 4.22Å; R179-F192 HydrophobicContact CB-CD1 4.28Å; R179-F192 HydrophobicContact CB-CD2 3.54Å; R179-F192 HydrophobicContact CB-CE2 3.94Å; R179-F192 HydrophobicContact CB-CG 3.74Å; R179-F192 HydrophobicContact CB-CZ 4.46Å; I180-F192 HydrophobicContact CG1-CB 4.04Å; D183-F192 VanDerWaalsContact OD1-CD2 3.32Å; D183-F192 WeakPolarHBondContact OD1-CD2 3.49Å; D183-F192 VanDerWaalsContact OD2-CD2 3.29Å; D183-F192 WeakPolarHBondContact OD2-CD2 3.46Å; D183-F192 PolarHBondContact OD2-N 2.66Å; D183-F192 VanDerWaalsContact OD2-N 3.16Å; I190-F192 VanDerWaalsContact C-N 3.34Å; I190-F192 PolarHBondContact O-N 3Å; F192-H195 WeakPolarHBondContact O-CB 3.48Å; F192-H195 PolarHBondContact O-N 3.49Å; F192-F196 PolarHBondContact O-N 2.89Å |
| 193 | L | 78.1 | Confident | 76.4 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.1 | -33.7 | 178 | -153.1 | 57.8 | 0 | 0 | 0 | 112.2 | I180 I190 R191 F196 L197 I218 E233 I234 I237 | I180-L193 HydrophobicContact CD1-CD1 3.7Å; I180-L193 HydrophobicContact CG1-CD1 4.21Å; I180-L193 HydrophobicContact CG2-CD1 4.38Å; I190-L193 HydrophobicContact CB-CB 4.31Å; I190-L193 HydrophobicContact CG2-CB 3.84Å; I190-L193 HydrophobicContact CG2-CD2 4.46Å; I190-L193 WeakPolarHBondContact O-CB 3.4Å; I190-L193 PolarHBondContact O-N 3.37Å; R191-L193 PolarHBondContact O-N 2.93Å; L193-F196 HydrophobicContact CD1-CD1 4.2Å; L193-F196 PolarHBondContact O-N 3.4Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 WeakPolarHBondContact O-CG 3.35Å; L193-L197 PolarHBondContact O-N 2.76Å; L193-I218 HydrophobicContact CD1-CD1 4.24Å; L193-E233 HydrophobicContact CB-CB 4.1Å; L193-E233 HydrophobicContact CD2-CB 3.89Å; L193-E233 HydrophobicContact CG-CB 4.17Å; L193-I234 HydrophobicContact CD2-CB 4.49Å; L193-I234 HydrophobicContact CD2-CG1 3.54Å; L193-I237 HydrophobicContact CD1-CD1 3.4Å; L193-I237 HydrophobicContact CD2-CD1 3.95Å; L193-I237 HydrophobicContact CG-CD1 3.51Å |
| 194 | G | 76.7 | Confident | 76.7 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.8 | -28.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R191 T198 | R191-G194 PolarHBondContact O-N 2.92Å; G194-T198 PolarHBondContact O-N 2.76Å; G194-T198 PolarHBondContact O-OG1 2.73Å |
| 195 | H | 80.1 | Confident | 77.3 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 7% | 0.069 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.1 | -49.7 | 171.8 | -67.7 | -134.8 | 0 | 0 | 0 | 109.6 | R129 D133 F176 R191 F192 L197 T198 Y199 | R129-H195 PolarHBondContact NE-CE1 3.36Å; R129-H195 PolarHBondContact NH2-CD2 3.28Å; R129-H195 PolarHBondContact NH2-CE1 2.94Å; R129-H195 PolarHBondContact NH2-NE2 3.11Å; D133-H195 IonicContact OD2-CE1 3.96Å; F176-H195 HydrophobicContact CD1-CB 4.32Å; F176-H195 HydrophobicContact CE1-CB 3.57Å; F176-H195 HydrophobicContact CZ-CB 3.71Å; R191-H195 PolarHBondContact O-CD2 3.17Å; F192-H195 WeakPolarHBondContact O-CB 3.48Å; F192-H195 PolarHBondContact O-N 3.49Å; H195-L197 VanDerWaalsContact C-N 3.31Å; H195-L197 PolarHBondContact O-N 2.75Å; H195-T198 WeakPolarHBondContact O-CB 3.5Å; H195-T198 PolarHBondContact O-N 3.33Å; H195-Y199 HydrophobicContact CB-CE2 4.37Å; H195-Y199 WeakPolarHBondContact O-CD2 3.41Å; H195-Y199 PolarHBondContact O-N 2.89Å |
| 196 | F | 85.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.2 | -44.1 | 174 | 168.5 | -95.2 | 0 | 0 | 0 | 112.8 | V172 W173 F176 I180 F192 L193 T198 Y199 T200 W214 I237 | V172-F196 HydrophobicContact CG1-CD2 3.91Å; V172-F196 HydrophobicContact CG1-CE2 4.37Å; W173-F196 AromaticContact CE3-CD2 3.97Å; W173-F196 HydrophobicContact CE3-CD2 3.97Å; W173-F196 AromaticContact CE3-CE2 3.54Å; W173-F196 HydrophobicContact CE3-CE2 3.54Å; W173-F196 HydrophobicContact CE3-CZ 4.08Å; W173-F196 HydrophobicContact CZ3-CD2 4.44Å; W173-F196 HydrophobicContact CZ3-CE2 4.18Å; W173-F196 HydrophobicContact CZ3-CZ 4.41Å; F176-F196 HydrophobicContact CB-CB 4.27Å; F176-F196 HydrophobicContact CB-CD2 4.49Å; F176-F196 HydrophobicContact CD2-CB 4.09Å; F176-F196 HydrophobicContact CD2-CD2 4.47Å; F176-F196 HydrophobicContact CG-CB 4.21Å; I180-F196 HydrophobicContact CD1-CB 4.22Å; I180-F196 HydrophobicContact CD1-CG 4.44Å; F192-F196 PolarHBondContact O-N 2.89Å; L193-F196 HydrophobicContact CD1-CD1 4.2Å; L193-F196 PolarHBondContact O-N 3.4Å; F196-T198 VanDerWaalsContact C-N 3.29Å; F196-T198 PolarHBondContact O-N 3.13Å; F196-Y199 PolarHBondContact O-N 3Å; F196-T200 WeakPolarHBondContact CD2-OG1 3.36Å; F196-T200 HydrophobicContact CE2-CG2 4.5Å; F196-T200 VanDerWaalsContact CE2-OG1 3.25Å; F196-T200 WeakPolarHBondContact CE2-OG1 3.37Å; F196-T200 HydrophobicContact CZ-CG2 4.22Å; F196-T200 VanDerWaalsContact O-CB 3.27Å; F196-T200 WeakPolarHBondContact O-CB 3.45Å; F196-T200 PolarHBondContact O-N 3.09Å; F196-T200 PolarHBondContact O-OG1 2.94Å; F196-W214 HydrophobicContact CE1-CH2 4.34Å; F196-W214 HydrophobicContact CE1-CZ2 4.35Å; F196-W214 HydrophobicContact CE1-CZ3 4.47Å; F196-W214 AromaticContact CZ-CD2 3.75Å; F196-W214 HydrophobicContact CZ-CD2 3.75Å; F196-W214 AromaticContact CZ-CE2 3.59Å; F196-W214 HydrophobicContact CZ-CE3 4.1Å; F196-W214 HydrophobicContact CZ-CG 4.17Å; F196-W214 HydrophobicContact CZ-CH2 4.18Å; F196-W214 AromaticContact CZ-CZ2 3.81Å; F196-W214 HydrophobicContact CZ-CZ2 3.81Å; F196-W214 HydrophobicContact CZ-CZ3 4.32Å; F196-W214 AromaticContact CZ-NE1 3.9Å; F196-I237 HydrophobicContact CD1-CD1 3.78Å; F196-I237 HydrophobicContact CE1-CD1 3.76Å; F196-I237 HydrophobicContact CE1-CG1 4.41Å |
| 197 | L | 82.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.9 | -38.9 | 173.3 | -86.1 | 174.6 | 0 | 0 | 0 | 113.2 | L193 H195 F202 R236 I237 Y240 V473 | L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 WeakPolarHBondContact O-CG 3.35Å; L193-L197 PolarHBondContact O-N 2.76Å; H195-L197 VanDerWaalsContact C-N 3.31Å; H195-L197 PolarHBondContact O-N 2.75Å; L197-F202 HydrophobicContact CD2-CE2 3.87Å; L197-F202 HydrophobicContact CD2-CZ 3.74Å; L197-R236 HydrophobicContact CD1-CG 4.1Å; L197-I237 HydrophobicContact CD1-CG1 4.27Å; L197-I237 HydrophobicContact CD2-CB 4.49Å; L197-I237 HydrophobicContact CD2-CG1 3.51Å; L197-I237 HydrophobicContact CG-CD1 4.46Å; L197-I237 HydrophobicContact CG-CG1 3.81Å; L197-Y240 HydrophobicContact CD1-CE2 4.49Å; L197-Y240 HydrophobicContact CD2-CD2 3.55Å; L197-Y240 HydrophobicContact CD2-CE2 3.79Å; L197-V473 HydrophobicContact CB-CG1 4Å; L197-V473 HydrophobicContact CD2-CG1 4.26Å |
| 198 | T | 82.5 | Confident | 79.6 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -73.6 | -31.2 | -175.4 | -57.7 | 0 | 0 | 0 | 0 | 112.8 | Q154 T157 V158 G194 H195 F196 N474 | Q154-T198 HydrophobicContact CB-CG2 4.14Å; Q154-T198 HydrophobicContact CG-CG2 4.17Å; T157-T198 HydrophobicContact CG2-CG2 4.08Å; V158-T198 HydrophobicContact CG2-CG2 4.31Å; G194-T198 PolarHBondContact O-N 2.76Å; G194-T198 PolarHBondContact O-OG1 2.73Å; H195-T198 WeakPolarHBondContact O-CB 3.5Å; H195-T198 PolarHBondContact O-N 3.33Å; F196-T198 VanDerWaalsContact C-N 3.29Å; F196-T198 PolarHBondContact O-N 3.13Å; T198-N474 PolarHBondContact OG1-ND2 3.45Å |
| 199 | Y | 86 | Confident | 80.7 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 2% | 0.02 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -101.4 | -18.3 | -176.3 | -56.5 | -65.3 | 0 | 0 | 0 | 114.5 | W122 F125 F126 R129 T157 F164 F176 H195 F196 | W122-Y199 HydrophobicContact CE3-CD1 4.44Å; W122-Y199 HydrophobicContact CE3-CG 4.18Å; F125-Y199 HydrophobicContact CB-CD1 4.46Å; F125-Y199 HydrophobicContact CB-CE1 3.82Å; F125-Y199 PolarHBondContact O-OH 3.32Å; F126-Y199 HydrophobicContact CB-CE1 4.21Å; F126-Y199 HydrophobicContact CB-CE2 4.31Å; F126-Y199 HydrophobicContact CD2-CD2 4.29Å; F126-Y199 AromaticContact CD2-CE2 3.64Å; F126-Y199 HydrophobicContact CD2-CE2 3.64Å; F126-Y199 HydrophobicContact CG-CE2 4.44Å; R129-Y199 WeakPolarHBondContact CB-OH 3.44Å; R129-Y199 WeakPolarHBondContact CD-OH 3.5Å; T157-Y199 HydrophobicContact CG2-CD1 3.68Å; T157-Y199 HydrophobicContact CG2-CE1 3.69Å; F164-Y199 VanDerWaalsContact CD2-O 3.31Å; F164-Y199 WeakPolarHBondContact CD2-O 3.41Å; F164-Y199 WeakPolarHBondContact CE2-O 3.34Å; F176-Y199 AromaticContact CE2-CD2 3.74Å; F176-Y199 HydrophobicContact CE2-CD2 3.74Å; F176-Y199 HydrophobicContact CE2-CE2 4.43Å; F176-Y199 AromaticContact CZ-CD2 3.79Å; F176-Y199 HydrophobicContact CZ-CD2 3.79Å; F176-Y199 HydrophobicContact CZ-CE2 4.01Å; H195-Y199 HydrophobicContact CB-CE2 4.37Å; H195-Y199 WeakPolarHBondContact O-CD2 3.41Å; H195-Y199 PolarHBondContact O-N 2.89Å; F196-Y199 PolarHBondContact O-N 3Å |
| 200 | T | 85.7 | Confident | 82.1 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -77.5 | 128 | -178.8 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | V172 F196 F202 W214 | V172-T200 WeakPolarHBondContact CG1-OG1 3.21Å; F196-T200 WeakPolarHBondContact CD2-OG1 3.36Å; F196-T200 HydrophobicContact CE2-CG2 4.5Å; F196-T200 VanDerWaalsContact CE2-OG1 3.25Å; F196-T200 WeakPolarHBondContact CE2-OG1 3.37Å; F196-T200 HydrophobicContact CZ-CG2 4.22Å; F196-T200 VanDerWaalsContact O-CB 3.27Å; F196-T200 WeakPolarHBondContact O-CB 3.45Å; F196-T200 PolarHBondContact O-N 3.09Å; F196-T200 PolarHBondContact O-OG1 2.94Å; T200-F202 HydrophobicContact CG2-CD2 4.43Å; T200-F202 HydrophobicContact CG2-CE2 3.96Å; T200-F202 HydrophobicContact CG2-CZ 4.04Å; T200-F202 WeakPolarHBondContact O-CD2 3.46Å; T200-F202 PolarHBondContact O-N 3.48Å; T200-F202 VanDerWaalsContact O-N 3.1Å; T200-W214 HydrophobicContact CG2-CZ2 3.79Å |
| 201 | P | 84.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -82.4 | 91 | -176.2 | 32.5 | -35.7 | 0 | 0 | 0 | 112.5 | S161 F164 V169 Y203 Y206 | S161-P201 WeakPolarHBondContact O-CB 3.47Å; F164-P201 HydrophobicContact CB-CB 4.47Å; V169-P201 HydrophobicContact CG2-CG 3.79Å; P201-Y203 HydrophobicContact CB-CD2 3.91Å; P201-Y203 HydrophobicContact CB-CE2 3.9Å; P201-Y203 PolarHBondContact O-N 3.14Å; P201-Y206 HydrophobicContact CB-CD2 3.87Å; P201-Y206 HydrophobicContact CB-CE2 3.94Å; P201-Y206 HydrophobicContact CG-CD2 3.81Å; P201-Y206 HydrophobicContact CG-CE2 4.03Å | ||
| 202 | F | 83 | Confident | 84.2 | Confident | 12 Ų | 12 | 26 Ų | 26 | 5% | 0.053 | 13% | 0.127 | C | C | . | . | trans | -72.1 | 83.5 | 179.7 | -69.4 | -87.7 | 0 | 0 | 0 | 113.3 | L197 T200 W214 V241 I244 V473 | L197-F202 HydrophobicContact CD2-CE2 3.87Å; L197-F202 HydrophobicContact CD2-CZ 3.74Å; T200-F202 HydrophobicContact CG2-CD2 4.43Å; T200-F202 HydrophobicContact CG2-CE2 3.96Å; T200-F202 HydrophobicContact CG2-CZ 4.04Å; T200-F202 WeakPolarHBondContact O-CD2 3.46Å; T200-F202 PolarHBondContact O-N 3.48Å; T200-F202 VanDerWaalsContact O-N 3.1Å; F202-W214 AromaticContact CE1-CH2 3.85Å; F202-W214 HydrophobicContact CE1-CH2 3.85Å; F202-W214 HydrophobicContact CE1-CZ2 4.19Å; F202-W214 HydrophobicContact CZ-CH2 4.26Å; F202-W214 HydrophobicContact CZ-CZ2 4.44Å; F202-V241 HydrophobicContact CE1-CG2 4.1Å; F202-I244 HydrophobicContact CB-CD1 4.38Å; F202-I244 HydrophobicContact CB-CG2 4.38Å; F202-I244 HydrophobicContact CD1-CD1 4.11Å; F202-I244 WeakPolarHBondContact O-CG2 3.4Å; F202-V473 HydrophobicContact CD2-CG2 4.22Å | ||
| 203 | Y | 84.4 | Confident | 84.7 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 2% | 0.02 | 12% | 0.122 | C | C | . | . | trans | -134.4 | 146.1 | 175.8 | -56.4 | -79.5 | 0 | 0 | 0 | 112.5 | S161 K162 P201 K205 Y206 F207 L361 Y471 | S161-Y203 WeakPolarHBondContact OG-CE2 3.49Å; S161-Y203 PolarHBondContact OG-OH 2.82Å; K162-Y203 PolarHBondContact N-OH 3.14Å; P201-Y203 HydrophobicContact CB-CD2 3.91Å; P201-Y203 HydrophobicContact CB-CE2 3.9Å; P201-Y203 PolarHBondContact O-N 3.14Å; Y203-K205 PolarHBondContact O-N 2.81Å; Y203-K205 VanDerWaalsContact O-N 3.14Å; Y203-Y206 HydrophobicContact CD2-CD2 4.13Å; Y203-Y206 HydrophobicContact CD2-CE2 4.27Å; Y203-Y206 PolarHBondContact O-N 3.05Å; Y203-F207 PolarHBondContact O-N 3.36Å; Y203-L361 HydrophobicContact CD1-CB 4.02Å; Y203-L361 HydrophobicContact CD1-CD1 3.78Å; Y203-L361 HydrophobicContact CD1-CD2 4.02Å; Y203-L361 HydrophobicContact CD1-CG 4.14Å; Y203-L361 HydrophobicContact CE1-CD1 3.8Å; Y203-L361 HydrophobicContact CE1-CD2 4.37Å; Y203-L361 HydrophobicContact CG-CD2 4.32Å; Y203-Y471 AromaticContact CD1-CD1 3.79Å; Y203-Y471 HydrophobicContact CD1-CD1 3.79Å; Y203-Y471 AromaticContact CD1-CE1 3.78Å; Y203-Y471 HydrophobicContact CD1-CE1 3.78Å; Y203-Y471 HydrophobicContact CD1-CG 4.22Å; Y203-Y471 AromaticContact CE1-CD1 3.61Å; Y203-Y471 HydrophobicContact CE1-CD1 3.61Å; Y203-Y471 AromaticContact CE1-CD2 3.93Å; Y203-Y471 HydrophobicContact CE1-CD2 3.93Å; Y203-Y471 HydrophobicContact CE1-CE1 4Å; Y203-Y471 HydrophobicContact CE1-CE2 4.28Å; Y203-Y471 AromaticContact CE1-CG 3.58Å; Y203-Y471 HydrophobicContact CE1-CG 3.58Å | ||
| 204 | S | 82.9 | Confident | 85.3 | Confident | 10 Ų | 10 | 24.5 Ų | 24.5 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.4 | -176.7 | -157.4 | 0 | 0 | 0 | 0 | 113.7 | F207 I244 R248 L361 | S204-F207 WeakPolarHBondContact O-CB 3.33Å; S204-I244 WeakPolarHBondContact CB-O 3.47Å; S204-I244 PolarHBondContact OG-O 2.99Å; S204-R248 PolarHBondContact O-NH1 3.19Å; S204-R248 PolarHBondContact O-NH2 2.67Å; S204-R248 PolarHBondContact OG-NH2 3.31Å; S204-L361 PolarHBondContact N-O 2.85Å |
| 205 | K | 83.3 | Confident | 86 | Confident | 87 Ų | 87 | 24 Ų | 24 | 38% | 0.378 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -28.3 | 168 | 171 | -176.6 | 168.9 | -149.6 | 0 | 114 | S115 Y203 D360 L361 | S115-K205 PolarHBondContact OG-NZ 3.38Å; Y203-K205 PolarHBondContact O-N 2.81Å; Y203-K205 VanDerWaalsContact O-N 3.14Å; K205-D360 VanDerWaalsContact CD-O 3.3Å; K205-D360 WeakPolarHBondContact CD-O 3.46Å; K205-L361 VanDerWaalsContact CB-O 3.28Å; K205-L361 WeakPolarHBondContact CB-O 3.38Å; K205-L361 PolarHBondContact N-O 2.92Å |
| 206 | Y | 85.3 | Confident | 86.5 | Confident | 14 Ų | 14 | 27.2 Ų | 27.2 | 6% | 0.055 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 0.7 | -179.6 | -60.1 | -32.5 | 0 | 0 | 0 | 112.9 | F164 K166 P201 Y203 D208 E209 I210 | F164-Y206 PolarHBondContact O-OH 3.29Å; F164-Y206 VanDerWaalsContact O-OH 3.05Å; K166-Y206 HydrophobicContact CB-CD1 4.28Å; K166-Y206 HydrophobicContact CB-CE1 3.89Å; K166-Y206 HydrophobicContact CG-CD1 4.14Å; K166-Y206 HydrophobicContact CG-CE1 4.25Å; P201-Y206 HydrophobicContact CB-CD2 3.87Å; P201-Y206 HydrophobicContact CB-CE2 3.94Å; P201-Y206 HydrophobicContact CG-CD2 3.81Å; P201-Y206 HydrophobicContact CG-CE2 4.03Å; Y203-Y206 HydrophobicContact CD2-CD2 4.13Å; Y203-Y206 HydrophobicContact CD2-CE2 4.27Å; Y203-Y206 PolarHBondContact O-N 3.05Å; Y206-D208 VanDerWaalsContact C-N 3.3Å; Y206-D208 PolarHBondContact O-N 2.97Å; Y206-E209 WeakPolarHBondContact O-CA 3.42Å; Y206-E209 WeakPolarHBondContact O-CB 3.24Å; Y206-E209 PolarHBondContact O-N 3.34Å; Y206-I210 PolarHBondContact O-N 3.07Å |
| 207 | F | 86.9 | Confident | 86.6 | Confident | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -50.9 | -46.1 | 179.1 | 178.4 | -88.6 | 0 | 0 | 0 | 113.1 | Y203 S204 E209 I210 S211 I244 R248 I249 | Y203-F207 PolarHBondContact O-N 3.36Å; S204-F207 WeakPolarHBondContact O-CB 3.33Å; F207-E209 PolarHBondContact O-N 3.02Å; F207-I210 WeakPolarHBondContact O-CB 3.45Å; F207-I210 PolarHBondContact O-N 2.76Å; F207-S211 WeakPolarHBondContact O-CB 3.4Å; F207-S211 PolarHBondContact O-N 3.27Å; F207-I244 HydrophobicContact CD2-CG1 4.44Å; F207-R248 HydrophobicContact CD1-CB 4.11Å; F207-R248 VanDerWaalsContact CD1-CD 3.44Å; F207-R248 HydrophobicContact CD1-CG 4.46Å; F207-R248 HydrophobicContact CE1-CB 3.51Å; F207-R248 HydrophobicContact CE1-CG 4.32Å; F207-R248 HydrophobicContact CE2-CB 4.34Å; F207-R248 HydrophobicContact CZ-CB 3.66Å; F207-I249 HydrophobicContact CE2-CD1 3.85Å; F207-I249 HydrophobicContact CE2-CG1 3.78Å; F207-I249 HydrophobicContact CZ-CD1 4.14Å; F207-I249 HydrophobicContact CZ-CG1 3.56Å |
| 208 | D | 86.5 | Confident | 86.9 | Confident | 102 Ų | 102 | 29 Ų | 29 | 55% | 0.545 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -66.8 | -22.9 | -176.8 | -43.2 | -20.2 | 0 | 0 | 0 | 111.9 | Y206 R212 R248 | Y206-D208 VanDerWaalsContact C-N 3.3Å; Y206-D208 PolarHBondContact O-N 2.97Å; D208-R212 WeakPolarHBondContact O-CB 3.5Å; D208-R212 PolarHBondContact O-N 2.8Å; D208-R248 IonicContact OD1-NH1 2.78Å; D208-R248 PolarHBondContact OD1-NH1 3.15Å |
| 209 | E | 87.4 | Confident | 87.2 | Confident | 21 Ų | 21 | 30 Ų | 30 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -80.6 | -47 | 173 | -158.5 | 76.8 | 146.9 | 0 | 0 | 111.2 | K166 V169 Y206 F207 S211 R212 V213 | K166-E209 WeakPolarHBondContact CE-OE1 3.48Å; K166-E209 WeakPolarHBondContact CE-OE2 3.36Å; K166-E209 HydrophobicContact CG-CG 4.33Å; K166-E209 VanDerWaalsContact NZ-CD 3.32Å; K166-E209 IonicContact NZ-OE1 3.96Å; K166-E209 IonicContact NZ-OE2 2.6Å; K166-E209 PolarHBondContact NZ-OE2 2.98Å; V169-E209 HydrophobicContact CB-CB 4.45Å; V169-E209 HydrophobicContact CB-CG 3.96Å; V169-E209 HydrophobicContact CG1-CB 4.23Å; V169-E209 HydrophobicContact CG1-CG 4.02Å; V169-E209 HydrophobicContact CG2-CG 4.45Å; Y206-E209 WeakPolarHBondContact O-CA 3.42Å; Y206-E209 WeakPolarHBondContact O-CB 3.24Å; Y206-E209 PolarHBondContact O-N 3.34Å; F207-E209 PolarHBondContact O-N 3.02Å; E209-S211 VanDerWaalsContact C-N 3.27Å; E209-S211 PolarHBondContact O-N 3.45Å; E209-R212 PolarHBondContact O-N 2.72Å; E209-R212 IonicContact OE1-CZ 3.87Å; E209-R212 IonicContact OE1-NH2 3.21Å; E209-R212 PolarHBondContact OE1-NH2 3.31Å; E209-R212 IonicContact OE2-CZ 2.73Å; E209-R212 IonicContact OE2-NE 3.38Å; E209-R212 PolarHBondContact OE2-NE 3.19Å; E209-R212 IonicContact OE2-NH2 3.43Å; E209-R212 PolarHBondContact OE2-NH2 2.9Å; E209-V213 HydrophobicContact CG-CG2 4.14Å; E209-V213 WeakPolarHBondContact O-CB 3.49Å; E209-V213 VanDerWaalsContact O-CG2 3.26Å; E209-V213 WeakPolarHBondContact O-CG2 3.43Å; E209-V213 PolarHBondContact O-N 3.45Å |
| 210 | I | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.2 | -47.1 | 174.1 | -73.7 | 169.3 | 0 | 0 | 0 | 110.5 | V169 Y206 F207 R212 V213 W214 L215 I244 | V169-I210 HydrophobicContact CG1-CG1 3.72Å; Y206-I210 PolarHBondContact O-N 3.07Å; F207-I210 WeakPolarHBondContact O-CB 3.45Å; F207-I210 PolarHBondContact O-N 2.76Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 2.92Å; I210-V213 PolarHBondContact O-N 2.63Å; I210-W214 HydrophobicContact CB-CZ2 3.97Å; I210-W214 HydrophobicContact CD1-CZ2 4.09Å; I210-W214 HydrophobicContact CG1-CZ2 3.67Å; I210-W214 HydrophobicContact CG2-CD2 4.2Å; I210-W214 HydrophobicContact CG2-CE3 4.33Å; I210-W214 HydrophobicContact CG2-CH2 3.52Å; I210-W214 HydrophobicContact CG2-CZ2 3.34Å; I210-W214 HydrophobicContact CG2-CZ3 4.01Å; I210-W214 PolarHBondContact O-N 3.27Å; I210-L215 HydrophobicContact CG2-CB 4.42Å; I210-L215 WeakPolarHBondContact O-CB 3.38Å; I210-L215 PolarHBondContact O-N 3.41Å; I210-I244 HydrophobicContact CD1-CD1 3.59Å |
| 211 | S | 88.9 | Confident | 87.2 | Confident | 49 Ų | 49 | 35.1 Ų | 35.1 | 34% | 0.343 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.9 | -26.5 | 178.3 | -167.6 | 0 | 0 | 0 | 0 | 113.8 | F207 E209 | F207-S211 WeakPolarHBondContact O-CB 3.4Å; F207-S211 PolarHBondContact O-N 3.27Å; E209-S211 VanDerWaalsContact C-N 3.27Å; E209-S211 PolarHBondContact O-N 3.45Å |
| 212 | R | 90.1 | Very high | 87.2 | Confident | 141 Ų | 141 | 35.3 Ų | 35.3 | 53% | 0.532 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -85.4 | -37.6 | 178.4 | 177.1 | -178.2 | 69.1 | 78.8 | -9.4 | 112.5 | E170 D208 E209 I210 | E170-R212 IonicContact OE2-CZ 2.6Å; E170-R212 IonicContact OE2-NH1 2.68Å; E170-R212 PolarHBondContact OE2-NH1 3.13Å; E170-R212 IonicContact OE2-NH2 3.67Å; E170-R212 PolarHBondContact OE2-NH2 3.23Å; D208-R212 WeakPolarHBondContact O-CB 3.5Å; D208-R212 PolarHBondContact O-N 2.8Å; E209-R212 PolarHBondContact O-N 2.72Å; E209-R212 IonicContact OE1-CZ 3.87Å; E209-R212 IonicContact OE1-NH2 3.21Å; E209-R212 PolarHBondContact OE1-NH2 3.31Å; E209-R212 IonicContact OE2-CZ 2.73Å; E209-R212 IonicContact OE2-NE 3.38Å; E209-R212 PolarHBondContact OE2-NE 3.19Å; E209-R212 IonicContact OE2-NH2 3.43Å; E209-R212 PolarHBondContact OE2-NH2 2.9Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 2.92Å |
| 213 | V | 89.3 | Confident | 87.3 | Confident | 21 Ų | 21 | 39 Ų | 39 | 13% | 0.127 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -92.2 | -44.6 | -164.5 | 169.9 | 0 | 0 | 0 | 0 | 112.9 | E170 W173 E209 I210 | E170-V213 HydrophobicContact CB-CG1 4.19Å; E170-V213 HydrophobicContact CB-CG2 4.1Å; E170-V213 HydrophobicContact CG-CG1 4.1Å; E170-V213 HydrophobicContact CG-CG2 4.13Å; W173-V213 HydrophobicContact CB-CG1 3.84Å; W173-V213 HydrophobicContact CG-CG1 4.05Å; W173-V213 PolarHBondContact NE1-O 2.82Å; E209-V213 HydrophobicContact CG-CG2 4.14Å; E209-V213 WeakPolarHBondContact O-CB 3.49Å; E209-V213 VanDerWaalsContact O-CG2 3.26Å; E209-V213 WeakPolarHBondContact O-CG2 3.43Å; E209-V213 PolarHBondContact O-N 3.45Å; I210-V213 PolarHBondContact O-N 2.63Å |
| 214 | W | 90.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.7 | -15.4 | -166.7 | 58.9 | -111.1 | 0 | 0 | 0 | 116.1 | W173 F196 T200 F202 I210 T216 D217 I218 I237 V241 | W173-W214 HydrophobicContact CB-CB 4.29Å; W173-W214 HydrophobicContact CB-CG 4.5Å; W173-W214 HydrophobicContact CD2-CB 3.37Å; W173-W214 HydrophobicContact CD2-CG 4.2Å; W173-W214 VanDerWaalsContact CE2-CB 3.46Å; W173-W214 HydrophobicContact CE3-CB 3.88Å; W173-W214 HydrophobicContact CE3-CG 4.4Å; W173-W214 HydrophobicContact CG-CB 3.56Å; W173-W214 HydrophobicContact CG-CG 4.25Å; W173-W214 HydrophobicContact CH2-CB 4.48Å; W173-W214 HydrophobicContact CZ2-CB 4.06Å; W173-W214 HydrophobicContact CZ3-CB 4.39Å; F196-W214 HydrophobicContact CE1-CH2 4.34Å; F196-W214 HydrophobicContact CE1-CZ2 4.35Å; F196-W214 HydrophobicContact CE1-CZ3 4.47Å; F196-W214 AromaticContact CZ-CD2 3.75Å; F196-W214 HydrophobicContact CZ-CD2 3.75Å; F196-W214 AromaticContact CZ-CE2 3.59Å; F196-W214 HydrophobicContact CZ-CE3 4.1Å; F196-W214 HydrophobicContact CZ-CG 4.17Å; F196-W214 HydrophobicContact CZ-CH2 4.18Å; F196-W214 AromaticContact CZ-CZ2 3.81Å; F196-W214 HydrophobicContact CZ-CZ2 3.81Å; F196-W214 HydrophobicContact CZ-CZ3 4.32Å; F196-W214 AromaticContact CZ-NE1 3.9Å; T200-W214 HydrophobicContact CG2-CZ2 3.79Å; F202-W214 AromaticContact CE1-CH2 3.85Å; F202-W214 HydrophobicContact CE1-CH2 3.85Å; F202-W214 HydrophobicContact CE1-CZ2 4.19Å; F202-W214 HydrophobicContact CZ-CH2 4.26Å; F202-W214 HydrophobicContact CZ-CZ2 4.44Å; I210-W214 HydrophobicContact CB-CZ2 3.97Å; I210-W214 HydrophobicContact CD1-CZ2 4.09Å; I210-W214 HydrophobicContact CG1-CZ2 3.67Å; I210-W214 HydrophobicContact CG2-CD2 4.2Å; I210-W214 HydrophobicContact CG2-CE3 4.33Å; I210-W214 HydrophobicContact CG2-CH2 3.52Å; I210-W214 HydrophobicContact CG2-CZ2 3.34Å; I210-W214 HydrophobicContact CG2-CZ3 4.01Å; I210-W214 PolarHBondContact O-N 3.27Å; W214-T216 VanDerWaalsContact C-N 3.33Å; W214-T216 PolarHBondContact O-N 3.48Å; W214-D217 WeakPolarHBondContact O-CB 3.29Å; W214-D217 PolarHBondContact O-N 3.49Å; W214-I218 HydrophobicContact CE3-CB 4.4Å; W214-I218 HydrophobicContact CE3-CG1 3.67Å; W214-I218 HydrophobicContact CZ3-CG1 4.09Å; W214-I218 WeakPolarHBondContact O-CG1 3.29Å; W214-I218 PolarHBondContact O-N 3.2Å; W214-I237 HydrophobicContact CH2-CG2 4.14Å; W214-I237 HydrophobicContact CZ3-CG2 3.83Å; W214-V241 HydrophobicContact CH2-CG2 3.62Å; W214-V241 HydrophobicContact CZ3-CG2 3.93Å |
| 215 | L | 90.9 | Very high | 86.3 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | -176.6 | -177.2 | 54.7 | 0 | 0 | 0 | 112.6 | I210 I218 F219 V241 I249 | I210-L215 HydrophobicContact CG2-CB 4.42Å; I210-L215 WeakPolarHBondContact O-CB 3.38Å; I210-L215 PolarHBondContact O-N 3.41Å; L215-I218 PolarHBondContact O-N 3.49Å; L215-F219 HydrophobicContact CD1-CD2 3.99Å; L215-F219 HydrophobicContact CD1-CE2 3.59Å; L215-F219 HydrophobicContact CD1-CZ 4.28Å; L215-F219 HydrophobicContact CD2-CE2 4.21Å; L215-F219 HydrophobicContact CG-CD2 3.96Å; L215-F219 HydrophobicContact CG-CE2 3.67Å; L215-F219 VanDerWaalsContact O-CD2 3.25Å; L215-F219 WeakPolarHBondContact O-CD2 3.19Å; L215-F219 PolarHBondContact O-N 2.93Å; L215-V241 HydrophobicContact CD1-CG1 3.79Å; L215-V241 HydrophobicContact CD1-CG2 4.44Å; L215-V241 HydrophobicContact CD2-CG1 4.27Å; L215-I249 HydrophobicContact CD2-CD1 3.84Å; L215-I249 HydrophobicContact CD2-CG1 4.19Å |
| 216 | T | 90.4 | Very high | 85.3 | Confident | 83 Ų | 83 | 48.5 Ų | 48.5 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 174.9 | -46.2 | 0 | 0 | 0 | 0 | 111.2 | W214 I218 F219 D220 | W214-T216 VanDerWaalsContact C-N 3.33Å; W214-T216 PolarHBondContact O-N 3.48Å; T216-I218 VanDerWaalsContact C-N 3.29Å; T216-I218 PolarHBondContact O-N 2.84Å; T216-F219 PolarHBondContact O-N 2.95Å; T216-F219 VanDerWaalsContact O-N 3.1Å; T216-D220 PolarHBondContact O-N 3.46Å |
| 217 | D | 88.5 | Confident | 84 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.1 | -41.3 | 175.5 | -71.1 | 19.4 | 0 | 0 | 0 | 112 | W173 R177 W214 D220 L221 | W173-D217 HydrophobicContact CH2-CB 4.28Å; W173-D217 HydrophobicContact CZ2-CB 3.53Å; W173-D217 VanDerWaalsContact CZ2-OD2 3.3Å; W173-D217 WeakPolarHBondContact CZ2-OD2 3.45Å; W173-D217 PolarHBondContact NE1-OD2 3.44Å; R177-D217 IonicContact CZ-OD2 3.03Å; R177-D217 IonicContact NE-OD2 3.73Å; R177-D217 PolarHBondContact NE-OD2 3.16Å; R177-D217 IonicContact NH2-OD1 3.17Å; R177-D217 IonicContact NH2-OD2 3.6Å; R177-D217 PolarHBondContact NH2-OD2 3.27Å; W214-D217 WeakPolarHBondContact O-CB 3.29Å; W214-D217 PolarHBondContact O-N 3.49Å; D217-D220 PolarHBondContact O-N 3.1Å; D217-L221 WeakPolarHBondContact O-CB 3.32Å; D217-L221 WeakPolarHBondContact O-CG 3.48Å; D217-L221 PolarHBondContact O-N 2.96Å |
| 218 | I | 88.7 | Confident | 82.6 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 176.9 | -70.6 | -65.2 | 0 | 0 | 0 | 111.4 | W173 L193 W214 L215 T216 W222 I234 I237 L238 | W173-I218 HydrophobicContact CH2-CD1 3.98Å; W173-I218 HydrophobicContact CH2-CG1 4.35Å; W173-I218 HydrophobicContact CZ3-CD1 4.09Å; L193-I218 HydrophobicContact CD1-CD1 4.24Å; W214-I218 HydrophobicContact CE3-CB 4.4Å; W214-I218 HydrophobicContact CE3-CG1 3.67Å; W214-I218 HydrophobicContact CZ3-CG1 4.09Å; W214-I218 WeakPolarHBondContact O-CG1 3.29Å; W214-I218 PolarHBondContact O-N 3.2Å; L215-I218 PolarHBondContact O-N 3.49Å; T216-I218 VanDerWaalsContact C-N 3.29Å; T216-I218 PolarHBondContact O-N 2.84Å; I218-W222 VanDerWaalsContact O-CB 3.23Å; I218-W222 WeakPolarHBondContact O-CB 3.47Å; I218-W222 PolarHBondContact O-N 3.25Å; I218-I234 HydrophobicContact CG2-CG2 4.48Å; I218-I237 HydrophobicContact CD1-CD1 4.16Å; I218-I237 HydrophobicContact CG2-CG2 4.13Å; I218-L238 HydrophobicContact CG2-CD2 4.33Å |
| 219 | F | 89.6 | Confident | 81.3 | Confident | 22 Ų | 22 | 52 Ų | 52 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -47.9 | 171.6 | -78.4 | -61.4 | 0 | 0 | 0 | 111.4 | L215 T216 L221 W222 Y223 L238 I249 W251 H254 | L215-F219 HydrophobicContact CD1-CD2 3.99Å; L215-F219 HydrophobicContact CD1-CE2 3.59Å; L215-F219 HydrophobicContact CD1-CZ 4.28Å; L215-F219 HydrophobicContact CD2-CE2 4.21Å; L215-F219 HydrophobicContact CG-CD2 3.96Å; L215-F219 HydrophobicContact CG-CE2 3.67Å; L215-F219 VanDerWaalsContact O-CD2 3.25Å; L215-F219 WeakPolarHBondContact O-CD2 3.19Å; L215-F219 PolarHBondContact O-N 2.93Å; T216-F219 PolarHBondContact O-N 2.95Å; T216-F219 VanDerWaalsContact O-N 3.1Å; F219-L221 PolarHBondContact O-N 3.35Å; F219-W222 AromaticContact CD1-CE3 3.97Å; F219-W222 HydrophobicContact CD1-CE3 3.97Å; F219-W222 HydrophobicContact CD1-CZ3 4.26Å; F219-W222 HydrophobicContact CE1-CE3 4.41Å; F219-W222 HydrophobicContact CE1-CZ3 4.32Å; F219-W222 WeakPolarHBondContact O-CB 3.3Å; F219-W222 PolarHBondContact O-N 3.42Å; F219-W222 VanDerWaalsContact O-N 3.11Å; F219-Y223 WeakPolarHBondContact O-CD2 3.14Å; F219-Y223 PolarHBondContact O-N 3.3Å; F219-L238 HydrophobicContact CD1-CD2 4.19Å; F219-L238 HydrophobicContact CE1-CD2 3.64Å; F219-L238 HydrophobicContact CZ-CD2 3.94Å; F219-I249 HydrophobicContact CE2-CG2 4.5Å; F219-I249 HydrophobicContact CZ-CG2 4.25Å; F219-W251 HydrophobicContact CE1-CE3 4.42Å; F219-W251 AromaticContact CE1-CZ3 3.9Å; F219-W251 HydrophobicContact CE1-CZ3 3.9Å; F219-W251 HydrophobicContact CZ-CE3 4.34Å; F219-W251 HydrophobicContact CZ-CH2 4.14Å; F219-W251 AromaticContact CZ-CZ3 3.87Å; F219-W251 HydrophobicContact CZ-CZ3 3.87Å; F219-H254 AromaticContact CD1-CD2 3.96Å; F219-H254 AromaticContact CD1-CE1 3.74Å; F219-H254 AromaticContact CD1-NE2 3.62Å; F219-H254 AromaticContact CE1-CD2 3.37Å; F219-H254 WeakPolarHBondContact CE1-CD2 3.28Å; F219-H254 AromaticContact CE1-CE1 3.96Å; F219-H254 AromaticContact CE1-CG 3.87Å; F219-H254 AromaticContact CE1-NE2 3.45Å; F219-H254 WeakPolarHBondContact CE1-NE2 3.43Å; F219-H254 AromaticContact CZ-CD2 3.69Å; F219-H254 AromaticContact CZ-NE2 3.69Å |
| 220 | D | 87.4 | Confident | 79.9 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 179.1 | -73.6 | -26.9 | 0 | 0 | 0 | 111.5 | T216 D217 W222 Y223 M224 | T216-D220 PolarHBondContact O-N 3.46Å; D217-D220 PolarHBondContact O-N 3.1Å; D220-W222 VanDerWaalsContact C-N 3.28Å; D220-W222 PolarHBondContact O-N 3.25Å; D220-Y223 PolarHBondContact O-N 2.85Å; D220-Y223 VanDerWaalsContact O-N 3.1Å; D220-M224 WeakPolarHBondContact O-CG 3.37Å; D220-M224 PolarHBondContact O-N 2.76Å |
| 221 | L | 83.6 | Confident | 78.9 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 16% | 0.162 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.2 | -41.2 | 174.2 | -70.1 | 170.5 | 0 | 0 | 0 | 111.8 | W173 I180 I184 D217 F219 Y223 H225 | W173-L221 HydrophobicContact CH2-CD1 4.38Å; I180-L221 HydrophobicContact CG2-CD1 4.32Å; I184-L221 HydrophobicContact CD1-CD1 4.38Å; I184-L221 HydrophobicContact CD1-CD2 3.91Å; D217-L221 WeakPolarHBondContact O-CB 3.32Å; D217-L221 WeakPolarHBondContact O-CG 3.48Å; D217-L221 PolarHBondContact O-N 2.96Å; F219-L221 PolarHBondContact O-N 3.35Å; L221-Y223 VanDerWaalsContact C-N 3.33Å; L221-Y223 PolarHBondContact O-N 3.4Å; L221-H225 PolarHBondContact O-N 2.7Å |
| 222 | W | 84.7 | Confident | 78.2 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -31.7 | 176.9 | -175.6 | 46.2 | 0 | 0 | 0 | 113.3 | I218 F219 D220 F231 I234 I235 L238 H254 R257 I258 | I218-W222 VanDerWaalsContact O-CB 3.23Å; I218-W222 WeakPolarHBondContact O-CB 3.47Å; I218-W222 PolarHBondContact O-N 3.25Å; F219-W222 AromaticContact CD1-CE3 3.97Å; F219-W222 HydrophobicContact CD1-CE3 3.97Å; F219-W222 HydrophobicContact CD1-CZ3 4.26Å; F219-W222 HydrophobicContact CE1-CE3 4.41Å; F219-W222 HydrophobicContact CE1-CZ3 4.32Å; F219-W222 WeakPolarHBondContact O-CB 3.3Å; F219-W222 PolarHBondContact O-N 3.42Å; F219-W222 VanDerWaalsContact O-N 3.11Å; D220-W222 VanDerWaalsContact C-N 3.28Å; D220-W222 PolarHBondContact O-N 3.25Å; W222-F231 AromaticContact CD1-CD1 3.53Å; W222-F231 AromaticContact CD1-CE1 3.55Å; W222-F231 AromaticContact NE1-CD1 3.8Å; W222-F231 AromaticContact NE1-CE1 3.87Å; W222-I234 HydrophobicContact CB-CG2 3.76Å; W222-I234 HydrophobicContact CG-CG2 3.71Å; W222-I235 HydrophobicContact CZ2-CD1 3.93Å; W222-L238 HydrophobicContact CD2-CD1 3.8Å; W222-L238 HydrophobicContact CE3-CD1 3.85Å; W222-L238 HydrophobicContact CG-CD1 4.35Å; W222-L238 HydrophobicContact CH2-CD1 4.18Å; W222-L238 HydrophobicContact CZ2-CD1 4.16Å; W222-L238 HydrophobicContact CZ3-CD1 4.04Å; W222-H254 HydrophobicContact CH2-CB 4.35Å; W222-H254 HydrophobicContact CZ3-CB 3.96Å; W222-R257 HydrophobicContact CH2-CB 3.84Å; W222-R257 HydrophobicContact CH2-CG 3.97Å; W222-R257 HydrophobicContact CZ2-CB 4.04Å; W222-R257 HydrophobicContact CZ2-CG 3.69Å; W222-R257 PolarHBondContact O-NE 3.4Å; W222-R257 PolarHBondContact O-NH2 3.14Å; W222-I258 HydrophobicContact CH2-CG1 3.84Å; W222-I258 HydrophobicContact CZ2-CG1 4.42Å |
| 223 | Y | 85.2 | Confident | 77.6 | Confident | 91 Ų | 91 | 49.8 Ų | 49.8 | 36% | 0.357 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -78.6 | -43 | 175.5 | -88 | -91.4 | 0 | 0 | 0 | 113.1 | F219 D220 L221 H225 P253 H254 R257 | F219-Y223 WeakPolarHBondContact O-CD2 3.14Å; F219-Y223 PolarHBondContact O-N 3.3Å; D220-Y223 PolarHBondContact O-N 2.85Å; D220-Y223 VanDerWaalsContact O-N 3.1Å; L221-Y223 VanDerWaalsContact C-N 3.33Å; L221-Y223 PolarHBondContact O-N 3.4Å; Y223-H225 VanDerWaalsContact C-N 3.29Å; Y223-H225 PolarHBondContact O-N 3.33Å; Y223-P253 PolarHBondContact OH-O 2.87Å; Y223-H254 AromaticContact CE2-CE1 3.8Å; Y223-H254 AromaticContact CE2-ND1 3.39Å; Y223-H254 WeakPolarHBondContact CE2-ND1 3.45Å; Y223-H254 AromaticContact CZ-ND1 3.61Å; Y223-H254 PolarHBondContact OH-ND1 3.33Å; Y223-R257 PolarHBondContact O-NH2 3.49Å; Y223-R257 VanDerWaalsContact O-NH2 3.16Å |
| 224 | M | 79 | Confident | 77.3 | Confident | 143 Ų | 143 | 49.1 Ų | 49.1 | 70% | 0.704 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.1 | -34.9 | -175.6 | -70.8 | -68.2 | 173.7 | 0 | 0 | 113.2 | D220 | D220-M224 WeakPolarHBondContact O-CG 3.37Å; D220-M224 PolarHBondContact O-N 2.76Å |
| 225 | H | 66.9 | Low | 77.1 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | trans | -104.3 | 127.1 | -178.5 | -64.2 | -84.9 | 0 | 0 | 0 | 110.7 | I184 L221 Y223 F231 R257 | I184-H225 WeakPolarHBondContact CG2-CE1 3.35Å; I184-H225 WeakPolarHBondContact CG2-NE2 3.28Å; L221-H225 PolarHBondContact O-N 2.7Å; Y223-H225 VanDerWaalsContact C-N 3.29Å; Y223-H225 PolarHBondContact O-N 3.33Å; H225-F231 WeakPolarHBondContact O-CE1 3.42Å; H225-F231 WeakPolarHBondContact O-CZ 3.3Å; H225-R257 PolarHBondContact O-NH2 3.48Å | ||
| 226 | P | 61.5 | Low | 76.9 | Confident | 95 Ų | 95 | 50.7 Ų | 50.7 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | trans | -98.3 | 4 | -179.9 | 37.3 | -35.5 | 0 | 0 | 0 | 114.5 | ||||
| 227 | E | 59.7 | Low | 76.7 | Confident | 106 Ų | 106 | 46.8 Ų | 46.8 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | trans | -91.7 | 136.3 | -165.7 | -65.7 | 175.3 | 173.3 | 0 | 0 | 113.6 | F231 | E227-F231 VanDerWaalsContact O-CD2 3.28Å; E227-F231 WeakPolarHBondContact O-CD2 3.29Å; E227-F231 WeakPolarHBondContact O-CG 3.13Å | ||
| 228 | L | 55.7 | Low | 76.8 | Confident | 64 Ų | 64 | 45 Ų | 45 | 34% | 0.335 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -67.2 | -48.8 | -165.7 | -77.9 | 164.8 | 0 | 0 | 0 | 114.9 | N230 F231 | L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 3.25Å; L228-F231 HydrophobicContact CD2-CD2 4.37Å; L228-F231 WeakPolarHBondContact O-CB 3.17Å; L228-F231 PolarHBondContact O-N 3.33Å |
| 229 | G | 59.1 | Low | 76.9 | Confident | 29 Ų | 29 | 45 Ų | 45 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -61.3 | -38 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F231 E276 | G229-F231 PolarHBondContact O-N 3.42Å; G229-E276 WeakPolarHBondContact CA-OE2 3.1Å |
| 230 | N | 58.1 | Low | 76.7 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -72.2 | -11.1 | 178 | -75.9 | -34.6 | 0 | 0 | 0 | 113.7 | P189 I190 L228 | P189-N230 WeakPolarHBondContact CA-OD1 3.26Å; I190-N230 HydrophobicContact CD1-CB 4.07Å; I190-N230 HydrophobicContact CG1-CB 4.27Å; L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 3.25Å |
| 231 | F | 69.4 | Low | 76.9 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -79.6 | -26.2 | 179.8 | -71.7 | -39.9 | 0 | 0 | 0 | 115.2 | W222 H225 E227 L228 G229 E233 I234 I235 | W222-F231 AromaticContact CD1-CD1 3.53Å; W222-F231 AromaticContact CD1-CE1 3.55Å; W222-F231 AromaticContact NE1-CD1 3.8Å; W222-F231 AromaticContact NE1-CE1 3.87Å; H225-F231 WeakPolarHBondContact O-CE1 3.42Å; H225-F231 WeakPolarHBondContact O-CZ 3.3Å; E227-F231 VanDerWaalsContact O-CD2 3.28Å; E227-F231 WeakPolarHBondContact O-CD2 3.29Å; E227-F231 WeakPolarHBondContact O-CG 3.13Å; L228-F231 HydrophobicContact CD2-CD2 4.37Å; L228-F231 WeakPolarHBondContact O-CB 3.17Å; L228-F231 PolarHBondContact O-N 3.33Å; G229-F231 PolarHBondContact O-N 3.42Å; F231-E233 PolarHBondContact O-N 3.05Å; F231-I234 WeakPolarHBondContact O-CA 3.25Å; F231-I234 WeakPolarHBondContact O-CB 3.48Å; F231-I234 PolarHBondContact O-N 3.41Å; F231-I235 HydrophobicContact CB-CG1 4.39Å; F231-I235 WeakPolarHBondContact O-CG1 3.29Å; F231-I235 PolarHBondContact O-N 3.05Å |
| 232 | R | 73.6 | Confident | 77.2 | Confident | 85 Ų | 85 | 39.8 Ų | 39.8 | 32% | 0.321 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -52.7 | -55.4 | -169.4 | 175.4 | 174.2 | 66.1 | -117.2 | -6.3 | 112.7 | I234 I235 R236 D282 | R232-I234 PolarHBondContact O-N 3.18Å; R232-I235 PolarHBondContact O-N 2.88Å; R232-R236 WeakPolarHBondContact O-CB 3.37Å; R232-R236 PolarHBondContact O-N 3Å; R232-D282 WeakPolarHBondContact CD-OD1 3.4Å; R232-D282 WeakPolarHBondContact CG-OD1 3.37Å |
| 233 | E | 77.6 | Confident | 77.3 | Confident | 31 Ų | 31 | 42.2 Ų | 42.2 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.4 | -23.3 | -177.3 | -53.2 | -50.2 | 137.3 | 0 | 0 | 112.4 | L193 F231 R236 I237 | L193-E233 HydrophobicContact CB-CB 4.1Å; L193-E233 HydrophobicContact CD2-CB 3.89Å; L193-E233 HydrophobicContact CG-CB 4.17Å; F231-E233 PolarHBondContact O-N 3.05Å; E233-R236 WeakPolarHBondContact OE2-CD 3.47Å; E233-R236 IonicContact OE2-CZ 2.75Å; E233-R236 IonicContact OE2-NH1 2.63Å; E233-R236 PolarHBondContact OE2-NH1 3.28Å; E233-I237 WeakPolarHBondContact O-CG1 3.34Å; E233-I237 PolarHBondContact O-N 3.49Å |
| 234 | I | 84.6 | Confident | 77.4 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.1 | -48.4 | 171.9 | -63 | 172.2 | 0 | 0 | 0 | 110.7 | I190 L193 I218 W222 F231 R232 R236 I237 L238 | I190-I234 HydrophobicContact CD1-CD1 4.26Å; L193-I234 HydrophobicContact CD2-CB 4.49Å; L193-I234 HydrophobicContact CD2-CG1 3.54Å; I218-I234 HydrophobicContact CG2-CG2 4.48Å; W222-I234 HydrophobicContact CB-CG2 3.76Å; W222-I234 HydrophobicContact CG-CG2 3.71Å; F231-I234 WeakPolarHBondContact O-CA 3.25Å; F231-I234 WeakPolarHBondContact O-CB 3.48Å; F231-I234 PolarHBondContact O-N 3.41Å; R232-I234 PolarHBondContact O-N 3.18Å; I234-R236 PolarHBondContact O-N 3.39Å; I234-I237 PolarHBondContact O-N 2.99Å; I234-I237 VanDerWaalsContact O-N 3.14Å; I234-L238 HydrophobicContact CG2-CD1 4.13Å; I234-L238 HydrophobicContact CG2-CG 4.46Å; I234-L238 WeakPolarHBondContact O-CG 3.41Å; I234-L238 PolarHBondContact O-N 3.16Å |
| 235 | I | 85.5 | Confident | 77.7 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.4 | -36.9 | 174.6 | -63.8 | -64.3 | 0 | 0 | 0 | 110.3 | W222 F231 R232 L238 C239 F285 Y286 L289 | W222-I235 HydrophobicContact CZ2-CD1 3.93Å; F231-I235 HydrophobicContact CB-CG1 4.39Å; F231-I235 WeakPolarHBondContact O-CG1 3.29Å; F231-I235 PolarHBondContact O-N 3.05Å; R232-I235 PolarHBondContact O-N 2.88Å; I235-L238 PolarHBondContact O-N 3.08Å; I235-C239 WeakPolarHBondContact O-CB 3.32Å; I235-C239 PolarHBondContact O-N 2.79Å; I235-F285 HydrophobicContact CG2-CB 4.08Å; I235-Y286 HydrophobicContact CD1-CE1 3.99Å; I235-Y286 HydrophobicContact CG1-CE1 4.5Å; I235-Y286 HydrophobicContact CG2-CD1 4.44Å; I235-Y286 HydrophobicContact CG2-CD2 4.42Å; I235-Y286 HydrophobicContact CG2-CE1 4.36Å; I235-Y286 HydrophobicContact CG2-CE2 4.32Å; I235-Y286 HydrophobicContact CG2-CG 4.46Å; I235-L289 HydrophobicContact CG2-CD2 4.45Å |
| 236 | R | 85.6 | Confident | 78.7 | Confident | 35 Ų | 35 | 29.3 Ų | 29.3 | 13% | 0.132 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 173.9 | -169.3 | 176.5 | 177.6 | -157.1 | -1.2 | 113 | L197 R232 E233 I234 C239 Y240 F285 V473 N474 | L197-R236 HydrophobicContact CD1-CG 4.1Å; R232-R236 WeakPolarHBondContact O-CB 3.37Å; R232-R236 PolarHBondContact O-N 3Å; E233-R236 WeakPolarHBondContact OE2-CD 3.47Å; E233-R236 IonicContact OE2-CZ 2.75Å; E233-R236 IonicContact OE2-NH1 2.63Å; E233-R236 PolarHBondContact OE2-NH1 3.28Å; I234-R236 PolarHBondContact O-N 3.39Å; R236-C239 WeakPolarHBondContact O-CB 3.49Å; R236-C239 PolarHBondContact O-N 3.31Å; R236-Y240 HydrophobicContact CG-CD2 4.44Å; R236-Y240 HydrophobicContact CG-CE2 3.69Å; R236-Y240 WeakPolarHBondContact O-CD2 3.5Å; R236-Y240 PolarHBondContact O-N 3.14Å; R236-F285 HydrophobicContact CB-CD2 4.4Å; R236-F285 HydrophobicContact CB-CE2 4.47Å; R236-F285 HydrophobicContact CB-CG 4.45Å; R236-F285 HydrophobicContact CG-CD1 4.14Å; R236-F285 HydrophobicContact CG-CE1 3.82Å; R236-F285 HydrophobicContact CG-CE2 4.23Å; R236-F285 HydrophobicContact CG-CG 4.49Å; R236-F285 HydrophobicContact CG-CZ 3.89Å; R236-V473 PolarHBondContact NH2-O 3.14Å; R236-N474 PolarHBondContact NH2-OD1 3.04Å |
| 237 | I | 87.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.7 | -51.2 | 168.8 | -74.3 | 170 | 0 | 0 | 0 | 110.7 | L193 F196 L197 W214 I218 E233 I234 C239 Y240 V241 | L193-I237 HydrophobicContact CD1-CD1 3.4Å; L193-I237 HydrophobicContact CD2-CD1 3.95Å; L193-I237 HydrophobicContact CG-CD1 3.51Å; F196-I237 HydrophobicContact CD1-CD1 3.78Å; F196-I237 HydrophobicContact CE1-CD1 3.76Å; F196-I237 HydrophobicContact CE1-CG1 4.41Å; L197-I237 HydrophobicContact CD1-CG1 4.27Å; L197-I237 HydrophobicContact CD2-CB 4.49Å; L197-I237 HydrophobicContact CD2-CG1 3.51Å; L197-I237 HydrophobicContact CG-CD1 4.46Å; L197-I237 HydrophobicContact CG-CG1 3.81Å; W214-I237 HydrophobicContact CH2-CG2 4.14Å; W214-I237 HydrophobicContact CZ3-CG2 3.83Å; I218-I237 HydrophobicContact CD1-CD1 4.16Å; I218-I237 HydrophobicContact CG2-CG2 4.13Å; E233-I237 WeakPolarHBondContact O-CG1 3.34Å; E233-I237 PolarHBondContact O-N 3.49Å; I234-I237 PolarHBondContact O-N 2.99Å; I234-I237 VanDerWaalsContact O-N 3.14Å; I237-C239 PolarHBondContact O-N 3.12Å; I237-Y240 PolarHBondContact O-N 2.99Å; I237-Y240 VanDerWaalsContact O-N 3.15Å; I237-V241 HydrophobicContact CG2-CG2 3.91Å; I237-V241 WeakPolarHBondContact O-CB 3.35Å; I237-V241 VanDerWaalsContact O-CG2 3.28Å; I237-V241 WeakPolarHBondContact O-CG2 3.42Å; I237-V241 PolarHBondContact O-N 3.45Å |
| 238 | L | 90.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -36.4 | -177.6 | -67.8 | 174.1 | 0 | 0 | 0 | 111.4 | I218 F219 W222 I234 I235 S242 W251 L289 | I218-L238 HydrophobicContact CG2-CD2 4.33Å; F219-L238 HydrophobicContact CD1-CD2 4.19Å; F219-L238 HydrophobicContact CE1-CD2 3.64Å; F219-L238 HydrophobicContact CZ-CD2 3.94Å; W222-L238 HydrophobicContact CD2-CD1 3.8Å; W222-L238 HydrophobicContact CE3-CD1 3.85Å; W222-L238 HydrophobicContact CG-CD1 4.35Å; W222-L238 HydrophobicContact CH2-CD1 4.18Å; W222-L238 HydrophobicContact CZ2-CD1 4.16Å; W222-L238 HydrophobicContact CZ3-CD1 4.04Å; I234-L238 HydrophobicContact CG2-CD1 4.13Å; I234-L238 HydrophobicContact CG2-CG 4.46Å; I234-L238 WeakPolarHBondContact O-CG 3.41Å; I234-L238 PolarHBondContact O-N 3.16Å; I235-L238 PolarHBondContact O-N 3.08Å; L238-S242 WeakPolarHBondContact O-CB 3.34Å; L238-S242 PolarHBondContact O-N 3.48Å; L238-S242 PolarHBondContact O-OG 2.82Å; L238-W251 HydrophobicContact CB-CH2 3.99Å; L238-W251 HydrophobicContact CB-CZ3 4.28Å; L238-W251 HydrophobicContact CD2-CH2 3.88Å; L238-W251 HydrophobicContact CD2-CZ3 4.03Å; L238-W251 HydrophobicContact CG-CH2 4.48Å; L238-L289 HydrophobicContact CB-CD1 4.38Å; L238-L289 HydrophobicContact CB-CD2 4.39Å |
| 239 | C | 89.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.2 | -58.1 | 170.5 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | I235 R236 I237 V241 S242 R243 E288 L289 | I235-C239 WeakPolarHBondContact O-CB 3.32Å; I235-C239 PolarHBondContact O-N 2.79Å; R236-C239 WeakPolarHBondContact O-CB 3.49Å; R236-C239 PolarHBondContact O-N 3.31Å; I237-C239 PolarHBondContact O-N 3.12Å; C239-V241 VanDerWaalsContact C-N 3.31Å; C239-V241 PolarHBondContact O-N 2.85Å; C239-S242 PolarHBondContact O-N 3.28Å; C239-S242 VanDerWaalsContact O-N 3.15Å; C239-S242 PolarHBondContact O-OG 3.07Å; C239-R243 PolarHBondContact O-N 2.61Å; C239-R243 VanDerWaalsContact O-N 3.13Å; C239-E288 VanDerWaalsContact SG-CG 3.54Å; C239-L289 HydrophobicContact CB-CB 4.29Å |
| 240 | Y | 87.1 | Confident | 83.6 | Confident | 29 Ų | 29 | 26.6 Ų | 26.6 | 11% | 0.114 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 178.9 | -61.3 | -48.2 | 0 | 0 | 0 | 112.9 | L197 R236 I237 R243 I244 V473 | L197-Y240 HydrophobicContact CD1-CE2 4.49Å; L197-Y240 HydrophobicContact CD2-CD2 3.55Å; L197-Y240 HydrophobicContact CD2-CE2 3.79Å; R236-Y240 HydrophobicContact CG-CD2 4.44Å; R236-Y240 HydrophobicContact CG-CE2 3.69Å; R236-Y240 WeakPolarHBondContact O-CD2 3.5Å; R236-Y240 PolarHBondContact O-N 3.14Å; I237-Y240 PolarHBondContact O-N 2.99Å; I237-Y240 VanDerWaalsContact O-N 3.15Å; Y240-R243 PolarHBondContact O-N 3.49Å; Y240-I244 PolarHBondContact O-N 2.73Å; Y240-I244 VanDerWaalsContact O-N 3.12Å; Y240-V473 HydrophobicContact CD2-CG1 4.33Å; Y240-V473 HydrophobicContact CD2-CG2 4.42Å; Y240-V473 HydrophobicContact CE1-CG2 4.47Å; Y240-V473 HydrophobicContact CE2-CB 4.28Å; Y240-V473 HydrophobicContact CE2-CG1 3.65Å; Y240-V473 HydrophobicContact CE2-CG2 4.24Å; Y240-V473 PolarHBondContact OH-O 2.86Å |
| 241 | V | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.3 | 165.9 | 0 | 0 | 0 | 0 | 111.2 | F202 W214 L215 I237 C239 R243 I244 G245 I249 W251 | F202-V241 HydrophobicContact CE1-CG2 4.1Å; W214-V241 HydrophobicContact CH2-CG2 3.62Å; W214-V241 HydrophobicContact CZ3-CG2 3.93Å; L215-V241 HydrophobicContact CD1-CG1 3.79Å; L215-V241 HydrophobicContact CD1-CG2 4.44Å; L215-V241 HydrophobicContact CD2-CG1 4.27Å; I237-V241 HydrophobicContact CG2-CG2 3.91Å; I237-V241 WeakPolarHBondContact O-CB 3.35Å; I237-V241 VanDerWaalsContact O-CG2 3.28Å; I237-V241 WeakPolarHBondContact O-CG2 3.42Å; I237-V241 PolarHBondContact O-N 3.45Å; C239-V241 VanDerWaalsContact C-N 3.31Å; C239-V241 PolarHBondContact O-N 2.85Å; V241-R243 VanDerWaalsContact C-N 3.31Å; V241-R243 PolarHBondContact O-N 2.76Å; V241-I244 WeakPolarHBondContact O-CG1 3.14Å; V241-I244 PolarHBondContact O-N 2.83Å; V241-G245 WeakPolarHBondContact O-CA 3.43Å; V241-G245 PolarHBondContact O-N 3.46Å; V241-I249 HydrophobicContact CG1-CD1 3.31Å; V241-W251 HydrophobicContact CG1-CZ2 4.42Å |
| 242 | S | 90 | Very high | 86.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.1 | -37.2 | 177 | 75 | 0 | 0 | 0 | 0 | 112.3 | L238 C239 G245 R246 N292 | L238-S242 WeakPolarHBondContact O-CB 3.34Å; L238-S242 PolarHBondContact O-N 3.48Å; L238-S242 PolarHBondContact O-OG 2.82Å; C239-S242 PolarHBondContact O-N 3.28Å; C239-S242 VanDerWaalsContact O-N 3.15Å; C239-S242 PolarHBondContact O-OG 3.07Å; S242-G245 CarbonylContact O-C 3.55Å; S242-R246 WeakPolarHBondContact O-CG 3.29Å; S242-R246 PolarHBondContact O-N 2.89Å; S242-N292 WeakPolarHBondContact OG-CB 3.27Å |
| 243 | R | 87.8 | Confident | 86.9 | Confident | 56 Ų | 56 | 27.5 Ų | 27.5 | 21% | 0.211 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 178 | 175.5 | 158.4 | 160.5 | -178.2 | -7.6 | 113.3 | C239 Y240 V241 E288 V470 | C239-R243 PolarHBondContact O-N 2.61Å; C239-R243 VanDerWaalsContact O-N 3.13Å; Y240-R243 PolarHBondContact O-N 3.49Å; V241-R243 VanDerWaalsContact C-N 3.31Å; V241-R243 PolarHBondContact O-N 2.76Å; R243-E288 WeakPolarHBondContact CD-OE1 3.25Å; R243-E288 IonicContact CZ-OE1 3.66Å; R243-E288 IonicContact NE-OE1 3.67Å; R243-E288 IonicContact NH1-OE1 2.95Å; R243-E288 PolarHBondContact NH1-OE1 2.92Å; R243-E288 IonicContact NH1-OE2 3.32Å; R243-V470 PolarHBondContact NH2-O 2.9Å |
| 244 | I | 86.4 | Confident | 87.5 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 7% | 0.067 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -82.9 | -24.7 | 176.4 | 66.2 | 170.9 | 0 | 0 | 0 | 113.3 | F202 S204 F207 I210 Y240 V241 | F202-I244 HydrophobicContact CB-CD1 4.38Å; F202-I244 HydrophobicContact CB-CG2 4.38Å; F202-I244 HydrophobicContact CD1-CD1 4.11Å; F202-I244 WeakPolarHBondContact O-CG2 3.4Å; S204-I244 WeakPolarHBondContact CB-O 3.47Å; S204-I244 PolarHBondContact OG-O 2.99Å; F207-I244 HydrophobicContact CD2-CG1 4.44Å; I210-I244 HydrophobicContact CD1-CD1 3.59Å; Y240-I244 PolarHBondContact O-N 2.73Å; Y240-I244 VanDerWaalsContact O-N 3.12Å; V241-I244 WeakPolarHBondContact O-CG1 3.14Å; V241-I244 PolarHBondContact O-N 2.83Å |
| 245 | G | 86.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -106.5 | 18.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | V241 S242 G247 R248 | V241-G245 WeakPolarHBondContact O-CA 3.43Å; V241-G245 PolarHBondContact O-N 3.46Å; S242-G245 CarbonylContact O-C 3.55Å; G245-G247 PolarHBondContact O-N 3.44Å; G245-R248 PolarHBondContact O-N 3.31Å |
| 246 | R | 87.1 | Confident | 88.1 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | 114.6 | 178.3 | -72.4 | 176.3 | -176.5 | 150.7 | 4.8 | 111.3 | S242 R248 N292 D350 T364 | S242-R246 WeakPolarHBondContact O-CG 3.29Å; S242-R246 PolarHBondContact O-N 2.89Å; R246-R248 VanDerWaalsContact C-N 3.28Å; R246-R248 PolarHBondContact O-N 3.23Å; R246-N292 VanDerWaalsContact CZ-OD1 3.26Å; R246-N292 PolarHBondContact NE-OD1 3.4Å; R246-N292 PolarHBondContact NH2-OD1 2.92Å; R246-D350 IonicContact NH1-OD2 2.99Å; R246-T364 HydrophobicContact CB-CG2 3.65Å; R246-T364 WeakPolarHBondContact CD-OG1 3.31Å |
| 247 | G | 81.5 | Confident | 88.3 | Confident | 27 Ų | 27 | 34.8 Ų | 34.8 | 28% | 0.278 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -4.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | G245 F368 | G245-G247 PolarHBondContact O-N 3.44Å; G247-F368 WeakPolarHBondContact O-CE1 3.35Å; G247-F368 WeakPolarHBondContact O-CZ 3.35Å |
| 248 | R | 84.3 | Confident | 88.4 | Confident | 80 Ų | 80 | 34.8 Ų | 34.8 | 30% | 0.302 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -13.5 | 177.5 | -57.7 | -166.5 | -161.3 | 178.9 | 18.3 | 114.4 | S204 F207 D208 G245 R246 | S204-R248 PolarHBondContact O-NH1 3.19Å; S204-R248 PolarHBondContact O-NH2 2.67Å; S204-R248 PolarHBondContact OG-NH2 3.31Å; F207-R248 HydrophobicContact CD1-CB 4.11Å; F207-R248 VanDerWaalsContact CD1-CD 3.44Å; F207-R248 HydrophobicContact CD1-CG 4.46Å; F207-R248 HydrophobicContact CE1-CB 3.51Å; F207-R248 HydrophobicContact CE1-CG 4.32Å; F207-R248 HydrophobicContact CE2-CB 4.34Å; F207-R248 HydrophobicContact CZ-CB 3.66Å; D208-R248 IonicContact OD1-NH1 2.78Å; D208-R248 PolarHBondContact OD1-NH1 3.15Å; G245-R248 PolarHBondContact O-N 3.31Å; R246-R248 VanDerWaalsContact C-N 3.28Å; R246-R248 PolarHBondContact O-N 3.23Å |
| 249 | I | 87.1 | Confident | 88.5 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 11% | 0.108 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -106.9 | 131 | 175 | -62.3 | 171.4 | 0 | 0 | 0 | 107.7 | F207 L215 F219 V241 W251 | F207-I249 HydrophobicContact CE2-CD1 3.85Å; F207-I249 HydrophobicContact CE2-CG1 3.78Å; F207-I249 HydrophobicContact CZ-CD1 4.14Å; F207-I249 HydrophobicContact CZ-CG1 3.56Å; L215-I249 HydrophobicContact CD2-CD1 3.84Å; L215-I249 HydrophobicContact CD2-CG1 4.19Å; F219-I249 HydrophobicContact CE2-CG2 4.5Å; F219-I249 HydrophobicContact CZ-CG2 4.25Å; V241-I249 HydrophobicContact CG1-CD1 3.31Å; I249-W251 HydrophobicContact CB-CG 4.5Å; I249-W251 HydrophobicContact CB-CZ2 4.44Å; I249-W251 HydrophobicContact CD1-CH2 4.46Å; I249-W251 HydrophobicContact CD1-CZ2 3.64Å; I249-W251 HydrophobicContact CG2-CD2 3.87Å; I249-W251 HydrophobicContact CG2-CG 3.99Å; I249-W251 HydrophobicContact CG2-CZ2 4.19Å; I249-W251 PolarHBondContact O-N 3.09Å |
| 250 | D | 86.4 | Confident | 88.5 | Confident | 109 Ų | 109 | 38.8 Ų | 38.8 | 58% | 0.583 | 19% | 0.194 | S | C | * | . | trans | -74.3 | 106.7 | 161 | -180 | 14.4 | 0 | 0 | 0 | 108.9 | E252 | D250-E252 VanDerWaalsContact OD1-CB 3.26Å; D250-E252 WeakPolarHBondContact OD1-CB 3.26Å; D250-E252 PolarHBondContact OD1-N 2.96Å | ||
| 251 | W | 90.5 | Very high | 88.4 | Confident | 8 Ų | 8 | 38 Ų | 38 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | trans | -89.8 | -8.1 | 177.1 | -70.2 | 98.6 | 0 | 0 | 0 | 112.6 | F219 L238 V241 I249 H254 M255 I258 L289 T293 | F219-W251 HydrophobicContact CE1-CE3 4.42Å; F219-W251 AromaticContact CE1-CZ3 3.9Å; F219-W251 HydrophobicContact CE1-CZ3 3.9Å; F219-W251 HydrophobicContact CZ-CE3 4.34Å; F219-W251 HydrophobicContact CZ-CH2 4.14Å; F219-W251 AromaticContact CZ-CZ3 3.87Å; F219-W251 HydrophobicContact CZ-CZ3 3.87Å; L238-W251 HydrophobicContact CB-CH2 3.99Å; L238-W251 HydrophobicContact CB-CZ3 4.28Å; L238-W251 HydrophobicContact CD2-CH2 3.88Å; L238-W251 HydrophobicContact CD2-CZ3 4.03Å; L238-W251 HydrophobicContact CG-CH2 4.48Å; V241-W251 HydrophobicContact CG1-CZ2 4.42Å; I249-W251 HydrophobicContact CB-CG 4.5Å; I249-W251 HydrophobicContact CB-CZ2 4.44Å; I249-W251 HydrophobicContact CD1-CH2 4.46Å; I249-W251 HydrophobicContact CD1-CZ2 3.64Å; I249-W251 HydrophobicContact CG2-CD2 3.87Å; I249-W251 HydrophobicContact CG2-CG 3.99Å; I249-W251 HydrophobicContact CG2-CZ2 4.19Å; I249-W251 PolarHBondContact O-N 3.09Å; W251-H254 HydrophobicContact CE3-CB 4.37Å; W251-H254 WeakPolarHBondContact O-CA 3.45Å; W251-H254 WeakPolarHBondContact O-CB 3.4Å; W251-H254 PolarHBondContact O-N 3.38Å; W251-M255 HydrophobicContact CB-CE 3.39Å; W251-M255 HydrophobicContact CB-SD 4.27Å; W251-M255 WeakPolarHBondContact O-CG 3.09Å; W251-M255 PolarHBondContact O-N 2.97Å; W251-M255 VanDerWaalsContact O-N 3.13Å; W251-I258 HydrophobicContact CE3-CD1 4.08Å; W251-L289 HydrophobicContact CH2-CD1 3.86Å; W251-L289 HydrophobicContact CZ2-CD1 4.25Å; W251-L289 HydrophobicContact CZ3-CD1 4.02Å; W251-T293 HydrophobicContact CB-CG2 4.12Å; W251-T293 HydrophobicContact CD2-CG2 3.51Å; W251-T293 HydrophobicContact CE3-CG2 4.14Å; W251-T293 HydrophobicContact CG-CG2 3.49Å; W251-T293 VanDerWaalsContact CG-CG2 3.49Å; W251-T293 HydrophobicContact CZ2-CG2 4.42Å | ||
| 252 | E | 89.7 | Confident | 88.4 | Confident | 63 Ų | 63 | 38 Ų | 38 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -59 | -42.1 | -172.2 | -169 | 56.7 | -140.3 | 0 | 0 | 113.6 | D250 H254 M255 S304 R308 | D250-E252 VanDerWaalsContact OD1-CB 3.26Å; D250-E252 WeakPolarHBondContact OD1-CB 3.26Å; D250-E252 PolarHBondContact OD1-N 2.96Å; E252-H254 PolarHBondContact O-N 3.26Å; E252-H254 VanDerWaalsContact O-N 3.11Å; E252-M255 PolarHBondContact O-N 3.49Å; E252-S304 WeakPolarHBondContact OE1-CB 3.49Å; E252-S304 PolarHBondContact OE1-OG 2.88Å; E252-S304 WeakPolarHBondContact OE2-CB 3.43Å; E252-S304 PolarHBondContact OE2-OG 3.06Å; E252-R308 IonicContact OE1-CZ 3.5Å; E252-R308 IonicContact OE1-NE 3.47Å; E252-R308 PolarHBondContact OE1-NE 3.15Å; E252-R308 IonicContact OE1-NH2 2.7Å; E252-R308 PolarHBondContact OE1-NH2 3.26Å |
| 253 | P | 89.8 | Confident | 88.3 | Confident | 82 Ų | 82 | 39.5 Ų | 39.5 | 53% | 0.532 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -61.6 | -18.9 | 173.5 | -23 | 34.8 | 0 | 0 | 0 | 114.3 | Y223 | Y223-P253 PolarHBondContact OH-O 2.87Š|
| 254 | H | 91.2 | Very high | 88 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 12% | 0.12 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -100.7 | -18.8 | -172.9 | -56.1 | -40.6 | 0 | 0 | 0 | 113.2 | F219 W222 Y223 W251 E252 E256 R257 I258 | F219-H254 AromaticContact CD1-CD2 3.96Å; F219-H254 AromaticContact CD1-CE1 3.74Å; F219-H254 AromaticContact CD1-NE2 3.62Å; F219-H254 AromaticContact CE1-CD2 3.37Å; F219-H254 WeakPolarHBondContact CE1-CD2 3.28Å; F219-H254 AromaticContact CE1-CE1 3.96Å; F219-H254 AromaticContact CE1-CG 3.87Å; F219-H254 AromaticContact CE1-NE2 3.45Å; F219-H254 WeakPolarHBondContact CE1-NE2 3.43Å; F219-H254 AromaticContact CZ-CD2 3.69Å; F219-H254 AromaticContact CZ-NE2 3.69Å; W222-H254 HydrophobicContact CH2-CB 4.35Å; W222-H254 HydrophobicContact CZ3-CB 3.96Å; Y223-H254 AromaticContact CE2-CE1 3.8Å; Y223-H254 AromaticContact CE2-ND1 3.39Å; Y223-H254 WeakPolarHBondContact CE2-ND1 3.45Å; Y223-H254 AromaticContact CZ-ND1 3.61Å; Y223-H254 PolarHBondContact OH-ND1 3.33Å; W251-H254 HydrophobicContact CE3-CB 4.37Å; W251-H254 WeakPolarHBondContact O-CA 3.45Å; W251-H254 WeakPolarHBondContact O-CB 3.4Å; W251-H254 PolarHBondContact O-N 3.38Å; E252-H254 PolarHBondContact O-N 3.26Å; E252-H254 VanDerWaalsContact O-N 3.11Å; H254-E256 VanDerWaalsContact C-N 3.32Å; H254-E256 PolarHBondContact O-N 3.04Å; H254-R257 WeakPolarHBondContact O-CB 3.41Å; H254-R257 PolarHBondContact O-N 2.87Å; H254-I258 HydrophobicContact CB-CD1 4.37Å; H254-I258 PolarHBondContact O-N 3.44Å; H254-I258 VanDerWaalsContact O-N 3.11Å |
| 255 | M | 90.4 | Very high | 87.8 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.9 | -41.4 | -172.9 | -63 | -59.1 | 179.8 | 0 | 0 | 113.6 | W251 E252 R257 I258 F259 V305 | W251-M255 HydrophobicContact CB-CE 3.39Å; W251-M255 HydrophobicContact CB-SD 4.27Å; W251-M255 WeakPolarHBondContact O-CG 3.09Å; W251-M255 PolarHBondContact O-N 2.97Å; W251-M255 VanDerWaalsContact O-N 3.13Å; E252-M255 PolarHBondContact O-N 3.49Å; M255-R257 VanDerWaalsContact C-N 3.28Å; M255-R257 PolarHBondContact O-N 3.46Å; M255-I258 PolarHBondContact O-N 3.49Å; M255-I258 HydrophobicContact SD-CD1 4.38Å; M255-F259 HydrophobicContact CB-CD2 4.26Å; M255-F259 WeakPolarHBondContact O-CD2 3.44Å; M255-F259 PolarHBondContact O-N 2.99Å; M255-F259 HydrophobicContact SD-CE2 4.3Å; M255-V305 HydrophobicContact CE-CG2 3.21Å; M255-V305 HydrophobicContact SD-CG2 3.81Å |
| 256 | E | 90.9 | Very high | 87.6 | Confident | 138 Ų | 138 | 42 Ų | 42 | 65% | 0.645 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.8 | -39 | -179.8 | -170.9 | 177.2 | 157 | 0 | 0 | 111.6 | H254 T260 | H254-E256 VanDerWaalsContact C-N 3.32Å; H254-E256 PolarHBondContact O-N 3.04Å; E256-T260 WeakPolarHBondContact O-CB 3.28Å; E256-T260 PolarHBondContact O-N 3.41Å; E256-T260 PolarHBondContact O-OG1 3.31Å |
| 257 | R | 89.8 | Confident | 87.3 | Confident | 64 Ų | 64 | 42.9 Ų | 42.9 | 24% | 0.242 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69 | -41.3 | 176 | -160.5 | 175.9 | -171.4 | 100.7 | -0.4 | 111.2 | W222 Y223 H225 H254 M255 G261 | W222-R257 HydrophobicContact CH2-CB 3.84Å; W222-R257 HydrophobicContact CH2-CG 3.97Å; W222-R257 HydrophobicContact CZ2-CB 4.04Å; W222-R257 HydrophobicContact CZ2-CG 3.69Å; W222-R257 PolarHBondContact O-NE 3.4Å; W222-R257 PolarHBondContact O-NH2 3.14Å; Y223-R257 PolarHBondContact O-NH2 3.49Å; Y223-R257 VanDerWaalsContact O-NH2 3.16Å; H225-R257 PolarHBondContact O-NH2 3.48Å; H254-R257 WeakPolarHBondContact O-CB 3.41Å; H254-R257 PolarHBondContact O-N 2.87Å; M255-R257 VanDerWaalsContact C-N 3.28Å; M255-R257 PolarHBondContact O-N 3.46Å; R257-G261 PolarHBondContact O-N 3.06Å |
| 258 | I | 91.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -56.4 | 177.1 | -59.8 | 166.8 | 0 | 0 | 0 | 110.9 | W222 W251 H254 M255 T260 G261 L262 Y286 L289 I290 | W222-I258 HydrophobicContact CH2-CG1 3.84Å; W222-I258 HydrophobicContact CZ2-CG1 4.42Å; W251-I258 HydrophobicContact CE3-CD1 4.08Å; H254-I258 HydrophobicContact CB-CD1 4.37Å; H254-I258 PolarHBondContact O-N 3.44Å; H254-I258 VanDerWaalsContact O-N 3.11Å; M255-I258 PolarHBondContact O-N 3.49Å; M255-I258 HydrophobicContact SD-CD1 4.38Å; I258-T260 PolarHBondContact O-N 3.13Å; I258-G261 PolarHBondContact O-N 3.35Å; I258-L262 PolarHBondContact O-N 2.89Å; I258-Y286 HydrophobicContact CG2-CD1 4.03Å; I258-Y286 HydrophobicContact CG2-CE1 4.26Å; I258-L289 HydrophobicContact CD1-CD2 4.31Å; I258-L289 HydrophobicContact CG1-CD2 4.34Å; I258-L289 HydrophobicContact CG2-CD2 4.23Å; I258-I290 HydrophobicContact CG2-CD1 3.95Å; I258-I290 HydrophobicContact CG2-CG1 3.76Å |
| 259 | F | 92 | Very high | 85.9 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.4 | -33.1 | -176.1 | -79.4 | -78.8 | 0 | 0 | 0 | 112.5 | M255 S263 I290 V305 R308 L309 L312 | M255-F259 HydrophobicContact CB-CD2 4.26Å; M255-F259 WeakPolarHBondContact O-CD2 3.44Å; M255-F259 PolarHBondContact O-N 2.99Å; M255-F259 HydrophobicContact SD-CE2 4.3Å; F259-S263 VanDerWaalsContact O-CB 3.24Å; F259-S263 WeakPolarHBondContact O-CB 3.08Å; F259-S263 PolarHBondContact O-N 3.15Å; F259-I290 HydrophobicContact CE1-CD1 4.09Å; F259-I290 HydrophobicContact CE1-CG2 4.49Å; F259-I290 HydrophobicContact CZ-CD1 4.26Å; F259-I290 HydrophobicContact CZ-CG2 3.95Å; F259-V305 HydrophobicContact CZ-CG1 4.24Å; F259-R308 HydrophobicContact CD1-CB 4.33Å; F259-R308 HydrophobicContact CD2-CB 3.73Å; F259-R308 HydrophobicContact CD2-CG 4.44Å; F259-R308 HydrophobicContact CE1-CB 4.18Å; F259-R308 HydrophobicContact CE2-CB 3.54Å; F259-R308 HydrophobicContact CE2-CG 4.43Å; F259-R308 HydrophobicContact CG-CB 4.13Å; F259-R308 HydrophobicContact CZ-CB 3.78Å; F259-L309 HydrophobicContact CE1-CB 3.99Å; F259-L309 HydrophobicContact CE1-CD1 4.3Å; F259-L309 HydrophobicContact CZ-CB 4.17Å; F259-L312 HydrophobicContact CD1-CB 4.15Å; F259-L312 HydrophobicContact CD1-CD2 3.96Å; F259-L312 HydrophobicContact CE1-CD2 4.38Å |
| 260 | T | 88.7 | Confident | 84.5 | Confident | 67 Ų | 67 | 48.7 Ų | 48.7 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.3 | -40.2 | 171.4 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | E256 I258 R264 | E256-T260 WeakPolarHBondContact O-CB 3.28Å; E256-T260 PolarHBondContact O-N 3.41Å; E256-T260 PolarHBondContact O-OG1 3.31Å; I258-T260 PolarHBondContact O-N 3.13Å; T260-R264 HydrophobicContact CG2-CG 4.49Å; T260-R264 WeakPolarHBondContact O-CB 3.33Å; T260-R264 VanDerWaalsContact O-CG 3.25Å; T260-R264 WeakPolarHBondContact O-CG 3.43Å; T260-R264 PolarHBondContact O-N 2.98Å |
| 261 | G | 85.9 | Confident | 82.9 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59 | -52.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | R257 I258 R264 A265 | R257-G261 PolarHBondContact O-N 3.06Å; I258-G261 PolarHBondContact O-N 3.35Å; G261-R264 PolarHBondContact O-N 3.01Å; G261-A265 PolarHBondContact O-N 3.46Å |
| 262 | L | 88.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 177.4 | 178.8 | 59.3 | 0 | 0 | 0 | 113.1 | I258 R264 A265 I266 I283 Y286 I290 L312 F336 | I258-L262 PolarHBondContact O-N 2.89Å; L262-R264 VanDerWaalsContact C-N 3.33Å; L262-R264 PolarHBondContact O-N 3.24Å; L262-A265 WeakPolarHBondContact O-CB 2.93Å; L262-A265 PolarHBondContact O-N 3.25Å; L262-I266 HydrophobicContact CD1-CD1 3.75Å; L262-I266 HydrophobicContact CD1-CG1 4.17Å; L262-I266 HydrophobicContact CG-CD1 3.94Å; L262-I266 WeakPolarHBondContact O-CG1 3.41Å; L262-I266 PolarHBondContact O-N 3.06Å; L262-I283 HydrophobicContact CD1-CG2 4.29Å; L262-Y286 HydrophobicContact CB-CD1 4.04Å; L262-Y286 HydrophobicContact CB-CE1 4.42Å; L262-Y286 HydrophobicContact CB-CG 4.2Å; L262-Y286 HydrophobicContact CD1-CD2 4.47Å; L262-Y286 HydrophobicContact CD1-CG 4.21Å; L262-I290 HydrophobicContact CD2-CD1 3.53Å; L262-L312 HydrophobicContact CD2-CD2 3.5Å; L262-L312 VanDerWaalsContact CD2-CD2 3.5Å; L262-L312 HydrophobicContact CG-CD2 3.86Å; L262-F336 HydrophobicContact CD1-CD2 3.92Å; L262-F336 HydrophobicContact CD1-CE2 4.05Å; L262-F336 HydrophobicContact CD2-CD2 4.02Å; L262-F336 HydrophobicContact CD2-CE2 3.35Å; L262-F336 HydrophobicContact CD2-CZ 3.71Å; L262-F336 HydrophobicContact CG-CE2 4.36Å |
| 263 | S | 87.9 | Confident | 78.8 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | F259 I266 T267 | F259-S263 VanDerWaalsContact O-CB 3.24Å; F259-S263 WeakPolarHBondContact O-CB 3.08Å; F259-S263 PolarHBondContact O-N 3.15Å; S263-I266 PolarHBondContact O-N 2.7Å; S263-T267 WeakPolarHBondContact O-CB 3.45Å; S263-T267 WeakPolarHBondContact O-CG2 3.39Å; S263-T267 PolarHBondContact O-N 3.43Å; S263-T267 PolarHBondContact O-OG1 2.69Å |
| 264 | R | 83.3 | Confident | 76.7 | Confident | 114 Ų | 114 | 58.3 Ų | 58.3 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 176.7 | -68.2 | 175.3 | 85.7 | -176.7 | 6.1 | 111.8 | T260 G261 L262 I266 L268 | T260-R264 HydrophobicContact CG2-CG 4.49Å; T260-R264 WeakPolarHBondContact O-CB 3.33Å; T260-R264 VanDerWaalsContact O-CG 3.25Å; T260-R264 WeakPolarHBondContact O-CG 3.43Å; T260-R264 PolarHBondContact O-N 2.98Å; G261-R264 PolarHBondContact O-N 3.01Å; L262-R264 VanDerWaalsContact C-N 3.33Å; L262-R264 PolarHBondContact O-N 3.24Å; R264-I266 PolarHBondContact O-N 3.15Å; R264-L268 HydrophobicContact CB-CD1 4.04Å; R264-L268 HydrophobicContact CG-CD1 3.9Å; R264-L268 WeakPolarHBondContact O-CA 3.47Å; R264-L268 VanDerWaalsContact O-CB 3.29Å; R264-L268 WeakPolarHBondContact O-CB 3.32Å; R264-L268 PolarHBondContact O-N 2.85Å |
| 265 | A | 80.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G261 L262 L278 I283 | G261-A265 PolarHBondContact O-N 3.46Å; L262-A265 WeakPolarHBondContact O-CB 2.93Å; L262-A265 PolarHBondContact O-N 3.25Å; A265-L278 HydrophobicContact CB-CD1 3.63Å; A265-I283 HydrophobicContact CB-CD1 4.29Å; A265-I283 HydrophobicContact CB-CG1 4.25Å |
| 266 | I | 83.4 | Confident | 72.7 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -75.2 | -40.2 | -179.1 | -59.5 | 159.4 | 0 | 0 | 0 | 111.8 | L262 S263 R264 I283 V316 A329 L333 | L262-I266 HydrophobicContact CD1-CD1 3.75Å; L262-I266 HydrophobicContact CD1-CG1 4.17Å; L262-I266 HydrophobicContact CG-CD1 3.94Å; L262-I266 WeakPolarHBondContact O-CG1 3.41Å; L262-I266 PolarHBondContact O-N 3.06Å; S263-I266 PolarHBondContact O-N 2.7Å; R264-I266 PolarHBondContact O-N 3.15Å; I266-I283 HydrophobicContact CG1-CD1 4.23Å; I266-V316 HydrophobicContact CG2-CG1 3.8Å; I266-A329 HydrophobicContact CG2-CB 4.06Å; I266-L333 HydrophobicContact CD1-CD1 4.06Å |
| 267 | T | 80.3 | Confident | 71 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 18% | 0.184 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -94.4 | -22.7 | -169.2 | 62.2 | 0 | 0 | 0 | 0 | 115.2 | S263 V316 F319 | S263-T267 WeakPolarHBondContact O-CB 3.45Å; S263-T267 WeakPolarHBondContact O-CG2 3.39Å; S263-T267 PolarHBondContact O-N 3.43Å; S263-T267 PolarHBondContact O-OG1 2.69Å; T267-V316 HydrophobicContact CG2-CG1 4.2Å; T267-V316 HydrophobicContact CG2-CG2 4Å; T267-F319 HydrophobicContact CG2-CD1 3.97Å; T267-F319 HydrophobicContact CG2-CD2 4.16Å; T267-F319 HydrophobicContact CG2-CE1 3.68Å; T267-F319 HydrophobicContact CG2-CE2 3.88Å; T267-F319 HydrophobicContact CG2-CG 4.22Å; T267-F319 HydrophobicContact CG2-CZ 3.63Å |
| 268 | L | 71.7 | Confident | 69.6 | Low | 66 Ų | 66 | 68.3 Ų | 68.3 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -111.4 | 2.2 | -173.8 | -58.5 | 179.4 | 0 | 0 | 0 | 114.8 | R264 K270 K271 | R264-L268 HydrophobicContact CB-CD1 4.04Å; R264-L268 HydrophobicContact CG-CD1 3.9Å; R264-L268 WeakPolarHBondContact O-CA 3.47Å; R264-L268 VanDerWaalsContact O-CB 3.29Å; R264-L268 WeakPolarHBondContact O-CB 3.32Å; R264-L268 PolarHBondContact O-N 2.85Å; L268-K270 PolarHBondContact O-N 2.9Å; L268-K270 VanDerWaalsContact O-N 3.11Å; L268-K271 CarbonylContact O-C 3.6Å; L268-K271 WeakPolarHBondContact O-CA 3.5Å; L268-K271 PolarHBondContact O-N 3.11Å |
| 269 | N | 64.5 | Low | 68.6 | Low | 31 Ų | 31 | 73.4 Ų | 73.4 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -37.5 | -172.6 | -142.9 | 10.5 | 0 | 0 | 0 | 112.8 | K271 L277 L278 L332 | N269-K271 PolarHBondContact O-N 2.98Å; N269-K271 VanDerWaalsContact O-N 3.07Å; N269-L277 WeakPolarHBondContact O-CD2 3.5Å; N269-L278 PolarHBondContact ND2-O 2.65Å; N269-L278 PolarHBondContact OD1-N 3.39Å; N269-L332 HydrophobicContact CB-CD1 4.35Å |
| 270 | K | 57.1 | Low | 67.7 | Low | 153 Ų | 153 | 75.9 Ų | 75.9 | 67% | 0.665 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 6.5 | 174.3 | -63.2 | -157.8 | 174.4 | -160.6 | 0 | 115.5 | L268 | L268-K270 PolarHBondContact O-N 2.9Å; L268-K270 VanDerWaalsContact O-N 3.11Å |
| 271 | K | 52.4 | Low | 67.1 | Low | 156 Ų | 156 | 75.3 Ų | 75.3 | 68% | 0.678 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -129.2 | 83.6 | 173.8 | -73 | -172.9 | 177.1 | -178.5 | 0 | 109.3 | L268 N269 V273 | L268-K271 CarbonylContact O-C 3.6Å; L268-K271 WeakPolarHBondContact O-CA 3.5Å; L268-K271 PolarHBondContact O-N 3.11Å; N269-K271 PolarHBondContact O-N 2.98Å; N269-K271 VanDerWaalsContact O-N 3.07Å; K271-V273 PolarHBondContact O-N 2.91Å |
| 272 | P | 47.2 | Very low | 66.8 | Low | 78 Ų | 78 | 75 Ų | 75 | 51% | 0.506 | 37% | 0.372 | S | S | . | . | trans | -61.2 | 99.8 | 168.8 | 26.3 | -33.6 | 0 | 0 | 0 | 108.9 | H274 | P272-H274 WeakPolarHBondContact CB-O 3.23Š| ||
| 273 | V | 47.6 | Very low | 66.8 | Low | 95 Ų | 95 | 75 Ų | 75 | 58% | 0.576 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -68.5 | -30.4 | 168.6 | -171.2 | 0 | 0 | 0 | 0 | 109.2 | K271 | K271-V273 PolarHBondContact O-N 2.91Š|
| 274 | H | 45.3 | Very low | 66.8 | Low | 135 Ų | 135 | 74.5 Ų | 74.5 | 63% | 0.625 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -137.8 | 150.1 | 166.9 | -56.6 | 77.6 | 0 | 0 | 0 | 106.1 | P272 E276 | P272-H274 WeakPolarHBondContact CB-O 3.23Å; H274-E276 PolarHBondContact O-N 3.48Å |
| 275 | N | 46 | Very low | 67.2 | Low | 161 Ų | 161 | 70.6 Ų | 70.6 | 86% | 0.861 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -66.6 | 17.7 | -157.3 | -67.4 | -1.8 | 0 | 0 | 0 | 118.6 | ||
| 276 | E | 52 | Low | 67.7 | Low | 122 Ų | 122 | 71.4 Ų | 71.4 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | trans | -109.4 | 120.9 | 178.9 | -65 | -174.2 | 141.1 | 0 | 0 | 111.2 | G229 H274 | G229-E276 WeakPolarHBondContact CA-OE2 3.1Å; H274-E276 PolarHBondContact O-N 3.48Å | ||
| 277 | L | 56.5 | Low | 68.2 | Low | 120 Ų | 120 | 71.1 Ų | 71.1 | 63% | 0.628 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 135.1 | 164.9 | -73.3 | 162.1 | 0 | 0 | 0 | 108.9 | N269 | N269-L277 WeakPolarHBondContact O-CD2 3.5Š|
| 278 | L | 59 | Low | 68.8 | Low | 39 Ų | 39 | 70.5 Ų | 70.5 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 133.1 | 172.2 | -74.1 | 167.8 | 0 | 0 | 0 | 109.6 | A265 N269 D282 | A265-L278 HydrophobicContact CB-CD1 3.63Å; N269-L278 PolarHBondContact ND2-O 2.65Å; N269-L278 PolarHBondContact OD1-N 3.39Å; L278-D282 HydrophobicContact CB-CB 4.48Å; L278-D282 HydrophobicContact CD2-CB 4.06Å; L278-D282 WeakPolarHBondContact CD2-OD2 3.37Å |
| 279 | K | 70.3 | Confident | 69.9 | Low | 108 Ų | 108 | 67.3 Ų | 67.3 | 47% | 0.47 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 168.1 | -177.1 | -70.5 | -170.5 | 169.3 | -170.8 | 0 | 111.8 | E281 D282 | K279-E281 HydrophobicContact CB-CB 4.12Å; K279-E281 HydrophobicContact CB-CG 4.45Å; K279-E281 HydrophobicContact CD-CG 4.28Å; K279-E281 WeakPolarHBondContact CD-OE1 3.5Å; K279-E281 WeakPolarHBondContact CE-OE1 3.32Å; K279-E281 IonicContact NZ-OE1 2.69Å; K279-E281 PolarHBondContact NZ-OE1 3.38Å; K279-E281 IonicContact NZ-OE2 3.9Å; K279-E281 PolarHBondContact O-N 2.78Å; K279-D282 PolarHBondContact N-OD2 3.21Å; K279-D282 PolarHBondContact O-N 3.1Å |
| 280 | I | 74.2 | Confident | 71.3 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 35% | 0.349 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 167 | -59.6 | 175.3 | 0 | 0 | 0 | 110.1 | D282 I283 E284 L332 C335 | I280-D282 VanDerWaalsContact C-N 3.31Å; I280-D282 PolarHBondContact O-N 2.87Å; I280-I283 PolarHBondContact O-N 3.47Å; I280-I283 VanDerWaalsContact O-N 3.14Å; I280-E284 HydrophobicContact CG2-CG 4.44Å; I280-E284 PolarHBondContact O-N 3.26Å; I280-L332 HydrophobicContact CG1-CD2 4.27Å; I280-C335 HydrophobicContact CG2-CB 3.8Å |
| 281 | E | 75.9 | Confident | 73.1 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -47.7 | -46.8 | 173.5 | -63.3 | 167.6 | -137.2 | 0 | 0 | 113.2 | K279 I283 E284 F285 P477 | K279-E281 HydrophobicContact CB-CB 4.12Å; K279-E281 HydrophobicContact CB-CG 4.45Å; K279-E281 HydrophobicContact CD-CG 4.28Å; K279-E281 WeakPolarHBondContact CD-OE1 3.5Å; K279-E281 WeakPolarHBondContact CE-OE1 3.32Å; K279-E281 IonicContact NZ-OE1 2.69Å; K279-E281 PolarHBondContact NZ-OE1 3.38Å; K279-E281 IonicContact NZ-OE2 3.9Å; K279-E281 PolarHBondContact O-N 2.78Å; E281-I283 VanDerWaalsContact C-N 3.31Å; E281-I283 PolarHBondContact O-N 3.13Å; E281-E284 WeakPolarHBondContact O-CB 3.47Å; E281-E284 PolarHBondContact O-N 3.14Å; E281-F285 HydrophobicContact CB-CE2 4.36Å; E281-F285 WeakPolarHBondContact O-CD2 3.42Å; E281-F285 PolarHBondContact O-N 3.09Å; E281-P477 HydrophobicContact CG-CB 4.44Å |
| 282 | D | 80 | Confident | 74.9 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | -177.4 | -65.1 | -60.8 | 0 | 0 | 0 | 111.5 | R232 L278 K279 I280 F285 Y286 | R232-D282 WeakPolarHBondContact CD-OD1 3.4Å; R232-D282 WeakPolarHBondContact CG-OD1 3.37Å; L278-D282 HydrophobicContact CB-CB 4.48Å; L278-D282 HydrophobicContact CD2-CB 4.06Å; L278-D282 WeakPolarHBondContact CD2-OD2 3.37Å; K279-D282 PolarHBondContact N-OD2 3.21Å; K279-D282 PolarHBondContact O-N 3.1Å; I280-D282 VanDerWaalsContact C-N 3.31Å; I280-D282 PolarHBondContact O-N 2.87Å; D282-F285 PolarHBondContact O-N 3.19Å; D282-Y286 VanDerWaalsContact O-CD2 3.24Å; D282-Y286 WeakPolarHBondContact O-CD2 3.27Å; D282-Y286 PolarHBondContact O-N 3.45Å; D282-Y286 VanDerWaalsContact O-N 3.14Å |
| 283 | I | 87.4 | Confident | 77 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.2 | -31.3 | 179.9 | -63.7 | -173 | 0 | 0 | 0 | 111.1 | L262 A265 I266 I280 E281 Y286 A287 L332 F336 | L262-I283 HydrophobicContact CD1-CG2 4.29Å; A265-I283 HydrophobicContact CB-CD1 4.29Å; A265-I283 HydrophobicContact CB-CG1 4.25Å; I266-I283 HydrophobicContact CG1-CD1 4.23Å; I280-I283 PolarHBondContact O-N 3.47Å; I280-I283 VanDerWaalsContact O-N 3.14Å; E281-I283 VanDerWaalsContact C-N 3.31Å; E281-I283 PolarHBondContact O-N 3.13Å; I283-Y286 PolarHBondContact O-N 2.87Å; I283-A287 WeakPolarHBondContact O-CB 3.5Å; I283-A287 PolarHBondContact O-N 3.38Å; I283-L332 HydrophobicContact CD1-CB 3.63Å; I283-L332 HydrophobicContact CD1-CD1 4.21Å; I283-L332 HydrophobicContact CD1-CD2 3.67Å; I283-L332 HydrophobicContact CD1-CG 4Å; I283-F336 HydrophobicContact CG2-CB 3.6Å; I283-F336 HydrophobicContact CG2-CD2 3.88Å; I283-F336 HydrophobicContact CG2-CG 4.23Å |
| 284 | E | 89.2 | Confident | 79 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -39.4 | 169.4 | -69.3 | -145.8 | 145.9 | 0 | 0 | 112.6 | I280 E281 A287 E288 K339 | I280-E284 HydrophobicContact CG2-CG 4.44Å; I280-E284 PolarHBondContact O-N 3.26Å; E281-E284 WeakPolarHBondContact O-CB 3.47Å; E281-E284 PolarHBondContact O-N 3.14Å; E284-A287 PolarHBondContact O-N 3.29Å; E284-E288 PolarHBondContact O-N 3.15Å; E284-K339 HydrophobicContact CB-CB 4.25Å; E284-K339 HydrophobicContact CB-CD 4.06Å; E284-K339 HydrophobicContact CB-CG 3.75Å; E284-K339 HydrophobicContact CG-CB 3.94Å; E284-K339 HydrophobicContact CG-CD 4.14Å; E284-K339 HydrophobicContact CG-CG 3.94Å; E284-K339 WeakPolarHBondContact OE2-CD 3.17Å; E284-K339 WeakPolarHBondContact OE2-CE 3.37Å; E284-K339 IonicContact OE2-NZ 2.69Å; E284-K339 PolarHBondContact OE2-NZ 3.04Å |
| 285 | F | 90 | Very high | 80.3 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 15% | 0.145 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -38.8 | 174.2 | -61.6 | -50.9 | 0 | 0 | 0 | 112.2 | I235 R236 E281 D282 L289 | I235-F285 HydrophobicContact CG2-CB 4.08Å; R236-F285 HydrophobicContact CB-CD2 4.4Å; R236-F285 HydrophobicContact CB-CE2 4.47Å; R236-F285 HydrophobicContact CB-CG 4.45Å; R236-F285 HydrophobicContact CG-CD1 4.14Å; R236-F285 HydrophobicContact CG-CE1 3.82Å; R236-F285 HydrophobicContact CG-CE2 4.23Å; R236-F285 HydrophobicContact CG-CG 4.49Å; R236-F285 HydrophobicContact CG-CZ 3.89Å; E281-F285 HydrophobicContact CB-CE2 4.36Å; E281-F285 WeakPolarHBondContact O-CD2 3.42Å; E281-F285 PolarHBondContact O-N 3.09Å; D282-F285 PolarHBondContact O-N 3.19Å; F285-L289 WeakPolarHBondContact O-CB 3.41Å; F285-L289 PolarHBondContact O-N 2.97Å |
| 286 | Y | 92 | Very high | 81.2 | Confident | 17 Ų | 17 | 31.5 Ų | 31.5 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63 | -40.2 | 170.9 | -81.3 | -74.7 | 0 | 0 | 0 | 112.4 | I235 I258 L262 D282 I283 I290 | I235-Y286 HydrophobicContact CD1-CE1 3.99Å; I235-Y286 HydrophobicContact CG1-CE1 4.5Å; I235-Y286 HydrophobicContact CG2-CD1 4.44Å; I235-Y286 HydrophobicContact CG2-CD2 4.42Å; I235-Y286 HydrophobicContact CG2-CE1 4.36Å; I235-Y286 HydrophobicContact CG2-CE2 4.32Å; I235-Y286 HydrophobicContact CG2-CG 4.46Å; I258-Y286 HydrophobicContact CG2-CD1 4.03Å; I258-Y286 HydrophobicContact CG2-CE1 4.26Å; L262-Y286 HydrophobicContact CB-CD1 4.04Å; L262-Y286 HydrophobicContact CB-CE1 4.42Å; L262-Y286 HydrophobicContact CB-CG 4.2Å; L262-Y286 HydrophobicContact CD1-CD2 4.47Å; L262-Y286 HydrophobicContact CD1-CG 4.21Å; D282-Y286 VanDerWaalsContact O-CD2 3.24Å; D282-Y286 WeakPolarHBondContact O-CD2 3.27Å; D282-Y286 PolarHBondContact O-N 3.45Å; D282-Y286 VanDerWaalsContact O-N 3.14Å; I283-Y286 PolarHBondContact O-N 2.87Å; Y286-I290 WeakPolarHBondContact O-CB 3.39Å; Y286-I290 VanDerWaalsContact O-CG1 3.25Å; Y286-I290 WeakPolarHBondContact O-CG1 3.28Å; Y286-I290 PolarHBondContact O-N 3.17Å |
| 287 | A | 93.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.7 | -47.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I283 E284 M291 F336 K339 F340 | I283-A287 WeakPolarHBondContact O-CB 3.5Å; I283-A287 PolarHBondContact O-N 3.38Å; E284-A287 PolarHBondContact O-N 3.29Å; A287-M291 VanDerWaalsContact O-CB 3.29Å; A287-M291 WeakPolarHBondContact O-CB 3.33Å; A287-M291 PolarHBondContact O-N 3.47Å; A287-F336 VanDerWaalsContact CA-CE2 3.41Å; A287-F336 HydrophobicContact CB-CD2 3.6Å; A287-F336 HydrophobicContact CB-CE2 3.74Å; A287-F336 HydrophobicContact CB-CG 4.21Å; A287-F336 HydrophobicContact CB-CZ 4.45Å; A287-F336 WeakPolarHBondContact CB-O 3.23Å; A287-K339 HydrophobicContact CB-CB 3.88Å; A287-K339 HydrophobicContact CB-CG 3.99Å; A287-F340 HydrophobicContact CB-CB 4.19Å |
| 288 | E | 93.7 | Very high | 82.1 | Confident | 16 Ų | 16 | 27.3 Ų | 27.3 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.7 | -39.4 | 177.5 | -177.1 | 165.3 | 176.7 | 0 | 0 | 112 | C239 R243 E284 N292 C343 | C239-E288 VanDerWaalsContact SG-CG 3.54Å; R243-E288 WeakPolarHBondContact CD-OE1 3.25Å; R243-E288 IonicContact CZ-OE1 3.66Å; R243-E288 IonicContact NE-OE1 3.67Å; R243-E288 IonicContact NH1-OE1 2.95Å; R243-E288 PolarHBondContact NH1-OE1 2.92Å; R243-E288 IonicContact NH1-OE2 3.32Å; E284-E288 PolarHBondContact O-N 3.15Å; E288-N292 WeakPolarHBondContact CG-ND2 3.41Å; E288-N292 WeakPolarHBondContact O-CB 3.39Å; E288-N292 PolarHBondContact O-N 2.94Å; E288-N292 VanDerWaalsContact O-N 3.08Å; E288-N292 PolarHBondContact O-ND2 3.34Å; E288-C343 HydrophobicContact CB-CB 4.43Å; E288-C343 HydrophobicContact CG-CB 4.25Å |
| 289 | L | 94 | Very high | 82.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.5 | -59 | 173.2 | 172.2 | 56.3 | 0 | 0 | 0 | 111 | I235 L238 C239 W251 I258 F285 M291 N292 T293 | I235-L289 HydrophobicContact CG2-CD2 4.45Å; L238-L289 HydrophobicContact CB-CD1 4.38Å; L238-L289 HydrophobicContact CB-CD2 4.39Å; C239-L289 HydrophobicContact CB-CB 4.29Å; W251-L289 HydrophobicContact CH2-CD1 3.86Å; W251-L289 HydrophobicContact CZ2-CD1 4.25Å; W251-L289 HydrophobicContact CZ3-CD1 4.02Å; I258-L289 HydrophobicContact CD1-CD2 4.31Å; I258-L289 HydrophobicContact CG1-CD2 4.34Å; I258-L289 HydrophobicContact CG2-CD2 4.23Å; F285-L289 WeakPolarHBondContact O-CB 3.41Å; F285-L289 PolarHBondContact O-N 2.97Å; L289-M291 VanDerWaalsContact C-N 3.33Å; L289-M291 PolarHBondContact O-N 3.38Å; L289-N292 PolarHBondContact O-N 2.66Å; L289-N292 VanDerWaalsContact O-N 3.07Å; L289-T293 HydrophobicContact CD1-CG2 3.85Å; L289-T293 HydrophobicContact CG-CG2 4.47Å; L289-T293 WeakPolarHBondContact O-CG2 3.44Å; L289-T293 PolarHBondContact O-N 3.46Å |
| 290 | I | 94.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.3 | -38.1 | -175.4 | -63.7 | 169 | 0 | 0 | 0 | 111.4 | I258 F259 L262 Y286 N292 T293 V305 F336 F340 | I258-I290 HydrophobicContact CG2-CD1 3.95Å; I258-I290 HydrophobicContact CG2-CG1 3.76Å; F259-I290 HydrophobicContact CE1-CD1 4.09Å; F259-I290 HydrophobicContact CE1-CG2 4.49Å; F259-I290 HydrophobicContact CZ-CD1 4.26Å; F259-I290 HydrophobicContact CZ-CG2 3.95Å; L262-I290 HydrophobicContact CD2-CD1 3.53Å; Y286-I290 WeakPolarHBondContact O-CB 3.39Å; Y286-I290 VanDerWaalsContact O-CG1 3.25Å; Y286-I290 WeakPolarHBondContact O-CG1 3.28Å; Y286-I290 PolarHBondContact O-N 3.17Å; I290-N292 VanDerWaalsContact C-N 3.31Å; I290-N292 PolarHBondContact O-N 3.41Å; I290-T293 PolarHBondContact O-N 3.47Å; I290-T293 PolarHBondContact O-OG1 3.04Å; I290-T293 VanDerWaalsContact O-OG1 3.11Å; I290-V305 HydrophobicContact CG2-CG1 3.63Å; I290-F336 HydrophobicContact CD1-CE2 4.2Å; I290-F336 HydrophobicContact CD1-CZ 4.14Å; I290-F340 HydrophobicContact CB-CE2 4.37Å; I290-F340 HydrophobicContact CG2-CE2 4.03Å |
| 291 | M | 93.4 | Very high | 81.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 175.2 | -169.9 | -64.4 | -54.2 | 0 | 0 | 111.5 | A287 L289 F340 C343 L344 R347 | A287-M291 VanDerWaalsContact O-CB 3.29Å; A287-M291 WeakPolarHBondContact O-CB 3.33Å; A287-M291 PolarHBondContact O-N 3.47Å; L289-M291 VanDerWaalsContact C-N 3.33Å; L289-M291 PolarHBondContact O-N 3.38Å; M291-F340 HydrophobicContact CB-CD1 4.37Å; M291-F340 HydrophobicContact CB-CD2 3.94Å; M291-F340 HydrophobicContact CB-CE1 4.27Å; M291-F340 HydrophobicContact CB-CE2 3.85Å; M291-F340 HydrophobicContact CB-CG 4.22Å; M291-F340 HydrophobicContact CB-CZ 4.03Å; M291-F340 HydrophobicContact CG-CD1 4.16Å; M291-F340 HydrophobicContact CG-CE1 4.02Å; M291-F340 HydrophobicContact CG-CE2 4.48Å; M291-F340 HydrophobicContact CG-CG 4.45Å; M291-F340 HydrophobicContact CG-CZ 4.21Å; M291-C343 HydrophobicContact CE-CB 3.9Å; M291-C343 WeakPolarHBondContact CE-O 3.45Å; M291-C343 HydrophobicContact CG-CB 4.34Å; M291-L344 HydrophobicContact CG-CB 3.94Å; M291-L344 HydrophobicContact SD-CB 4.17Å; M291-L344 HydrophobicContact SD-CD1 4.22Å; M291-R347 HydrophobicContact CE-CB 3.82Å; M291-R347 HydrophobicContact CE-CG 4.46Å; M291-R347 PolarHBondContact O-NH1 3.45Å; M291-R347 HydrophobicContact SD-CB 3.89Å; M291-R347 VanDerWaalsContact SD-CD 3.52Å; M291-R347 HydrophobicContact SD-CG 4.31Å |
| 292 | N | 91.7 | Very high | 80.8 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77 | -24.2 | 179 | -75.2 | -62.5 | 0 | 0 | 0 | 113.8 | S242 R246 E288 L289 I290 I294 | S242-N292 WeakPolarHBondContact OG-CB 3.27Å; R246-N292 VanDerWaalsContact CZ-OD1 3.26Å; R246-N292 PolarHBondContact NE-OD1 3.4Å; R246-N292 PolarHBondContact NH2-OD1 2.92Å; E288-N292 WeakPolarHBondContact CG-ND2 3.41Å; E288-N292 WeakPolarHBondContact O-CB 3.39Å; E288-N292 PolarHBondContact O-N 2.94Å; E288-N292 VanDerWaalsContact O-N 3.08Å; E288-N292 PolarHBondContact O-ND2 3.34Å; L289-N292 PolarHBondContact O-N 2.66Å; L289-N292 VanDerWaalsContact O-N 3.07Å; I290-N292 VanDerWaalsContact C-N 3.31Å; I290-N292 PolarHBondContact O-N 3.41Å; N292-I294 VanDerWaalsContact C-N 3.32Å |
| 293 | T | 90.9 | Very high | 80.8 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76.3 | -14.2 | 176.4 | 65.5 | 0 | 0 | 0 | 0 | 114.2 | W251 L289 I290 G295 | W251-T293 HydrophobicContact CB-CG2 4.12Å; W251-T293 HydrophobicContact CD2-CG2 3.51Å; W251-T293 HydrophobicContact CE3-CG2 4.14Å; W251-T293 HydrophobicContact CG-CG2 3.49Å; W251-T293 VanDerWaalsContact CG-CG2 3.49Å; W251-T293 HydrophobicContact CZ2-CG2 4.42Å; L289-T293 HydrophobicContact CD1-CG2 3.85Å; L289-T293 HydrophobicContact CG-CG2 4.47Å; L289-T293 WeakPolarHBondContact O-CG2 3.44Å; L289-T293 PolarHBondContact O-N 3.46Å; I290-T293 PolarHBondContact O-N 3.47Å; I290-T293 PolarHBondContact O-OG1 3.04Å; I290-T293 VanDerWaalsContact O-OG1 3.11Å; T293-G295 PolarHBondContact O-N 3.43Å |
| 294 | I | 88.7 | Confident | 80.8 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -64.8 | 102.2 | 175 | -62.2 | 162.7 | 0 | 0 | 0 | 109.5 | N292 V305 L306 F340 R347 L370 I378 | N292-I294 VanDerWaalsContact C-N 3.32Å; I294-V305 HydrophobicContact CD1-CG1 4.3Å; I294-V305 HydrophobicContact CG1-CB 4Å; I294-V305 HydrophobicContact CG1-CG1 3.54Å; I294-L306 HydrophobicContact CD1-CD2 3.69Å; I294-L306 HydrophobicContact CD1-CG 4.4Å; I294-L306 HydrophobicContact CG1-CD2 4.26Å; I294-L306 HydrophobicContact CG1-CG 4.49Å; I294-L306 HydrophobicContact CG2-CD1 4.41Å; I294-F340 HydrophobicContact CD1-CZ 3.77Å; I294-R347 VanDerWaalsContact O-CZ 3.27Å; I294-R347 PolarHBondContact O-NH1 3.2Å; I294-R347 PolarHBondContact O-NH2 2.89Å; I294-L370 HydrophobicContact CB-CD2 4.19Å; I294-L370 HydrophobicContact CG2-CD2 3.61Å; I294-I378 HydrophobicContact CD1-CD1 4.05Å | ||
| 295 | G | 73.4 | Confident | 81 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | trans | -85 | 156.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T293 Q374 | T293-G295 PolarHBondContact O-N 3.43Å; G295-Q374 PolarHBondContact O-NE2 3.3Å | ||
| 296 | P | 65.8 | Low | 81 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 17% | 0.169 | 22% | 0.221 | C | C | . | . | trans | -65.1 | 142.4 | 169.7 | 28.8 | -33.5 | 0 | 0 | 0 | 110.5 | R298 E367 F368 | P296-R298 PolarHBondContact O-N 3.2Å; P296-R298 VanDerWaalsContact O-N 3.08Å; P296-E367 WeakPolarHBondContact CG-O 3.48Å; P296-F368 HydrophobicContact CG-CD1 4.46Å | ||
| 297 | D | 60.7 | Low | 81 | Confident | 71 Ų | 71 | 41 Ų | 41 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | trans | -67.6 | 107.6 | 176.5 | -61.5 | -67.4 | 0 | 0 | 0 | 110.3 | Q302 S303 Q374 | D297-Q302 VanDerWaalsContact OD1-CG 3.3Å; D297-Q302 WeakPolarHBondContact OD1-CG 3.39Å; D297-S303 PolarHBondContact OD1-N 3.49Å; D297-S303 VanDerWaalsContact OD1-N 3.15Å; D297-Q374 PolarHBondContact OD2-NE2 3.41Å | ||
| 298 | R | 65.2 | Low | 81 | Confident | 83 Ų | 83 | 44.1 Ų | 44.1 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | trans | -94.5 | 157.6 | 172.8 | -54.6 | -177.1 | 170.3 | -145.7 | -3.7 | 109.6 | P296 D300 C301 E367 | P296-R298 PolarHBondContact O-N 3.2Å; P296-R298 VanDerWaalsContact O-N 3.08Å; R298-D300 WeakPolarHBondContact CB-OD1 3.32Å; R298-D300 PolarHBondContact O-N 3.31Å; R298-C301 PolarHBondContact N-O 3.45Å; R298-C301 VanDerWaalsContact N-O 3.08Å; R298-C301 CarbonylContact O-C 3.59Å; R298-C301 PolarHBondContact O-N 3.41Å; R298-C301 VanDerWaalsContact O-O 3.13Å; R298-E367 IonicContact CZ-OE2 2.73Å; R298-E367 IonicContact NH1-OE2 3.47Å; R298-E367 PolarHBondContact NH2-O 3.45Å; R298-E367 IonicContact NH2-OE2 2.71Å; R298-E367 PolarHBondContact NH2-OE2 3.03Å | ||
| 299 | S | 61.2 | Low | 81 | Confident | 136 Ų | 136 | 43.3 Ų | 43.3 | 95% | 0.951 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -64.3 | -18.9 | 177.3 | 49.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 300 | D | 61.3 | Low | 81 | Confident | 118 Ų | 118 | 46.6 Ų | 46.6 | 63% | 0.631 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -99.9 | -23.8 | 179.2 | 51.9 | -35.2 | 0 | 0 | 0 | 113.6 | R298 | R298-D300 WeakPolarHBondContact CB-OD1 3.32Å; R298-D300 PolarHBondContact O-N 3.31Å |
| 301 | C | 62.4 | Low | 81 | Confident | 88 Ų | 88 | 52.2 Ų | 52.2 | 60% | 0.595 | 29% | 0.287 | S | S | * | . | trans | -145.6 | 114.9 | 175.8 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | R298 | R298-C301 PolarHBondContact N-O 3.45Å; R298-C301 VanDerWaalsContact N-O 3.08Å; R298-C301 CarbonylContact O-C 3.59Å; R298-C301 PolarHBondContact O-N 3.41Å; R298-C301 VanDerWaalsContact O-O 3.13Å | ||
| 302 | Q | 68.4 | Low | 81 | Confident | 164 Ų | 164 | 52.7 Ų | 52.7 | 77% | 0.766 | 29% | 0.29 | S | S | * | . | trans | -92.6 | 137.4 | 170.3 | -169.3 | 178.3 | 5 | 0 | 0 | 109.9 | D297 | D297-Q302 VanDerWaalsContact OD1-CG 3.3Å; D297-Q302 WeakPolarHBondContact OD1-CG 3.39Å | ||
| 303 | S | 80.1 | Confident | 81.1 | Confident | 28 Ų | 28 | 53 Ų | 53 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | trans | -84.2 | 123.4 | -177.4 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | D297 V305 | D297-S303 PolarHBondContact OD1-N 3.49Å; D297-S303 VanDerWaalsContact OD1-N 3.15Å; S303-V305 PolarHBondContact O-N 3.18Å; S303-V305 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 304 | S | 87.4 | Confident | 81.2 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | trans | -73.2 | -13.5 | 176.2 | 77 | 0 | 0 | 0 | 0 | 113.7 | E252 L306 C307 R308 | E252-S304 WeakPolarHBondContact OE1-CB 3.49Å; E252-S304 PolarHBondContact OE1-OG 2.88Å; E252-S304 WeakPolarHBondContact OE2-CB 3.43Å; E252-S304 PolarHBondContact OE2-OG 3.06Å; S304-L306 PolarHBondContact O-N 3.27Å; S304-C307 PolarHBondContact O-N 2.87Å; S304-R308 PolarHBondContact O-N 3.03Å; S304-R308 WeakPolarHBondContact OG-CD 3.01Å; S304-R308 PolarHBondContact OG-NE 3.43Å | ||
| 305 | V | 91.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -52.9 | -49.2 | -166.7 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | M255 F259 I290 I294 S303 R308 L309 | M255-V305 HydrophobicContact CE-CG2 3.21Å; M255-V305 HydrophobicContact SD-CG2 3.81Å; F259-V305 HydrophobicContact CZ-CG1 4.24Å; I290-V305 HydrophobicContact CG2-CG1 3.63Å; I294-V305 HydrophobicContact CD1-CG1 4.3Å; I294-V305 HydrophobicContact CG1-CB 4Å; I294-V305 HydrophobicContact CG1-CG1 3.54Å; S303-V305 PolarHBondContact O-N 3.18Å; S303-V305 WeakPolarHBondContact OG-CG2 3.49Å; V305-R308 PolarHBondContact O-N 3.21Å; V305-L309 VanDerWaalsContact O-CB 3.28Å; V305-L309 WeakPolarHBondContact O-CB 3.13Å; V305-L309 PolarHBondContact O-N 3.07Å |
| 306 | L | 91.4 | Very high | 82.1 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.2 | -35.5 | -176.8 | -66.7 | 176 | 0 | 0 | 0 | 111.9 | I294 S304 L309 E310 Q374 Q377 I378 | I294-L306 HydrophobicContact CD1-CD2 3.69Å; I294-L306 HydrophobicContact CD1-CG 4.4Å; I294-L306 HydrophobicContact CG1-CD2 4.26Å; I294-L306 HydrophobicContact CG1-CG 4.49Å; I294-L306 HydrophobicContact CG2-CD1 4.41Å; S304-L306 PolarHBondContact O-N 3.27Å; L306-L309 PolarHBondContact O-N 3.37Å; L306-E310 WeakPolarHBondContact O-CB 3.39Å; L306-E310 PolarHBondContact O-N 3.47Å; L306-Q374 HydrophobicContact CD1-CB 4.32Å; L306-Q374 HydrophobicContact CD1-CG 4.33Å; L306-Q377 HydrophobicContact CD1-CB 4.35Å; L306-Q377 VanDerWaalsContact CD1-OE1 3.22Å; L306-I378 HydrophobicContact CD2-CD1 4.29Å; L306-I378 HydrophobicContact CD2-CG1 3.63Å |
| 307 | C | 91.3 | Very high | 83.2 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.4 | -40.7 | 174.9 | -170.4 | 0 | 0 | 0 | 0 | 112 | S304 L309 E310 Q311 | S304-C307 PolarHBondContact O-N 2.87Å; C307-L309 VanDerWaalsContact C-N 3.34Å; C307-E310 PolarHBondContact O-N 3.07Å; C307-Q311 WeakPolarHBondContact O-CB 3.38Å; C307-Q311 VanDerWaalsContact O-CG 3.23Å; C307-Q311 WeakPolarHBondContact O-CG 3.4Å; C307-Q311 PolarHBondContact O-N 3.32Å; C307-Q311 PolarHBondContact SG-NE2 3.4Å |
| 308 | R | 93.2 | Very high | 84.6 | Confident | 66 Ų | 66 | 64 Ų | 64 | 25% | 0.249 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.6 | -34.7 | 173.7 | -68.4 | -177 | -171.7 | -112.8 | 12.9 | 112 | E252 F259 S304 V305 Q311 L312 | E252-R308 IonicContact OE1-CZ 3.5Å; E252-R308 IonicContact OE1-NE 3.47Å; E252-R308 PolarHBondContact OE1-NE 3.15Å; E252-R308 IonicContact OE1-NH2 2.7Å; E252-R308 PolarHBondContact OE1-NH2 3.26Å; F259-R308 HydrophobicContact CD1-CB 4.33Å; F259-R308 HydrophobicContact CD2-CB 3.73Å; F259-R308 HydrophobicContact CD2-CG 4.44Å; F259-R308 HydrophobicContact CE1-CB 4.18Å; F259-R308 HydrophobicContact CE2-CB 3.54Å; F259-R308 HydrophobicContact CE2-CG 4.43Å; F259-R308 HydrophobicContact CG-CB 4.13Å; F259-R308 HydrophobicContact CZ-CB 3.78Å; S304-R308 PolarHBondContact O-N 3.03Å; S304-R308 WeakPolarHBondContact OG-CD 3.01Å; S304-R308 PolarHBondContact OG-NE 3.43Å; V305-R308 PolarHBondContact O-N 3.21Å; R308-Q311 PolarHBondContact O-N 3.18Å; R308-L312 WeakPolarHBondContact O-CB 3.48Å; R308-L312 PolarHBondContact O-N 3.05Å |
| 309 | L | 94.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 173.3 | -179.6 | 60.6 | 0 | 0 | 0 | 111.5 | F259 V305 L306 C307 Q311 L312 L313 F336 F340 F382 | F259-L309 HydrophobicContact CE1-CB 3.99Å; F259-L309 HydrophobicContact CE1-CD1 4.3Å; F259-L309 HydrophobicContact CZ-CB 4.17Å; V305-L309 VanDerWaalsContact O-CB 3.28Å; V305-L309 WeakPolarHBondContact O-CB 3.13Å; V305-L309 PolarHBondContact O-N 3.07Å; L306-L309 PolarHBondContact O-N 3.37Å; C307-L309 VanDerWaalsContact C-N 3.34Å; L309-Q311 VanDerWaalsContact C-N 3.34Å; L309-Q311 PolarHBondContact O-N 3.49Å; L309-L312 PolarHBondContact O-N 2.79Å; L309-L313 HydrophobicContact CD1-CD1 4.19Å; L309-L313 HydrophobicContact CD1-CG 4.28Å; L309-L313 HydrophobicContact CG-CD1 4.04Å; L309-L313 VanDerWaalsContact O-CG 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 3.34Å; L309-F336 HydrophobicContact CD1-CE1 4.04Å; L309-F336 HydrophobicContact CD1-CZ 4.26Å; L309-F340 HydrophobicContact CD2-CE2 4.15Å; L309-F340 HydrophobicContact CD2-CZ 4.12Å; L309-F382 HydrophobicContact CD2-CZ 4.16Å |
| 310 | E | 94.2 | Very high | 86.9 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 172.6 | -176.9 | -173.1 | 174.7 | 0 | 0 | 111.9 | L306 C307 L313 K314 L381 | L306-E310 WeakPolarHBondContact O-CB 3.39Å; L306-E310 PolarHBondContact O-N 3.47Å; C307-E310 PolarHBondContact O-N 3.07Å; E310-L313 PolarHBondContact O-N 2.79Å; E310-K314 HydrophobicContact CG-CD 4.15Å; E310-K314 WeakPolarHBondContact O-CB 3.11Å; E310-K314 WeakPolarHBondContact O-CG 3.35Å; E310-K314 PolarHBondContact O-N 3.24Å; E310-K314 WeakPolarHBondContact OE1-CE 3.47Å; E310-K314 IonicContact OE1-NZ 3.79Å; E310-K314 PolarHBondContact OE1-NZ 3.23Å; E310-L381 HydrophobicContact CB-CD2 3.67Å; E310-L381 HydrophobicContact CG-CD2 3.6Å |
| 311 | Q | 94.4 | Very high | 88.2 | Confident | 118 Ų | 118 | 54.5 Ų | 54.5 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 176 | -71.7 | 169.5 | 21.6 | 0 | 0 | 112 | C307 R308 L309 S315 | C307-Q311 WeakPolarHBondContact O-CB 3.38Å; C307-Q311 VanDerWaalsContact O-CG 3.23Å; C307-Q311 WeakPolarHBondContact O-CG 3.4Å; C307-Q311 PolarHBondContact O-N 3.32Å; C307-Q311 PolarHBondContact SG-NE2 3.4Å; R308-Q311 PolarHBondContact O-N 3.18Å; L309-Q311 VanDerWaalsContact C-N 3.34Å; L309-Q311 PolarHBondContact O-N 3.49Å; Q311-S315 WeakPolarHBondContact O-CB 2.92Å; Q311-S315 PolarHBondContact O-N 3.2Å; Q311-S315 PolarHBondContact O-OG 2.92Å |
| 312 | L | 93.9 | Very high | 89.2 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.4 | -52.9 | 175.1 | 175.9 | 66.4 | 0 | 0 | 0 | 110.7 | F259 L262 R308 L309 K314 S315 V316 | F259-L312 HydrophobicContact CD1-CB 4.15Å; F259-L312 HydrophobicContact CD1-CD2 3.96Å; F259-L312 HydrophobicContact CE1-CD2 4.38Å; L262-L312 HydrophobicContact CD2-CD2 3.5Å; L262-L312 VanDerWaalsContact CD2-CD2 3.5Å; L262-L312 HydrophobicContact CG-CD2 3.86Å; R308-L312 WeakPolarHBondContact O-CB 3.48Å; R308-L312 PolarHBondContact O-N 3.05Å; L309-L312 PolarHBondContact O-N 2.79Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 2.72Å; L312-S315 PolarHBondContact O-N 3.07Å; L312-S315 PolarHBondContact O-OG 2.78Å; L312-V316 HydrophobicContact CD1-CG2 3.87Å; L312-V316 HydrophobicContact CG-CG2 4.48Å; L312-V316 WeakPolarHBondContact O-CG2 3.28Å; L312-V316 PolarHBondContact O-N 2.94Å |
| 313 | L | 93 | Very high | 89.9 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -42.9 | -177.1 | -66.8 | 166.2 | 0 | 0 | 0 | 111 | L309 E310 V316 E317 Y320 L333 F382 I385 | L309-L313 HydrophobicContact CD1-CD1 4.19Å; L309-L313 HydrophobicContact CD1-CG 4.28Å; L309-L313 HydrophobicContact CG-CD1 4.04Å; L309-L313 VanDerWaalsContact O-CG 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 3.34Å; E310-L313 PolarHBondContact O-N 2.79Å; L313-V316 PolarHBondContact O-N 3.44Å; L313-E317 PolarHBondContact O-N 2.83Å; L313-Y320 WeakPolarHBondContact O-CE1 3.43Å; L313-Y320 PolarHBondContact O-OH 3.36Å; L313-L333 HydrophobicContact CD2-CD1 3.92Å; L313-L333 HydrophobicContact CD2-CD2 4.17Å; L313-F382 HydrophobicContact CD1-CD1 4.17Å; L313-F382 HydrophobicContact CD1-CE1 3.88Å; L313-F382 HydrophobicContact CD2-CE1 4.49Å; L313-I385 HydrophobicContact CB-CD1 3.94Å; L313-I385 HydrophobicContact CD1-CD1 3.9Å; L313-I385 HydrophobicContact CD2-CD1 3.9Å; L313-I385 HydrophobicContact CG-CD1 4.12Å |
| 314 | K | 92.7 | Very high | 90.1 | Very high | 127 Ų | 127 | 47.5 Ų | 47.5 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 172.5 | -71.4 | 172 | 176.1 | 177.6 | 0 | 113 | E310 L312 V316 E317 | E310-K314 HydrophobicContact CG-CD 4.15Å; E310-K314 WeakPolarHBondContact O-CB 3.11Å; E310-K314 WeakPolarHBondContact O-CG 3.35Å; E310-K314 PolarHBondContact O-N 3.24Å; E310-K314 WeakPolarHBondContact OE1-CE 3.47Å; E310-K314 IonicContact OE1-NZ 3.79Å; E310-K314 PolarHBondContact OE1-NZ 3.23Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 2.72Å; K314-V316 PolarHBondContact O-N 3.36Å; K314-E317 WeakPolarHBondContact O-CB 3.18Å; K314-E317 PolarHBondContact O-N 3.33Å |
| 315 | S | 91 | Very high | 89.6 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.8 | -22.5 | 179.6 | 73.5 | 0 | 0 | 0 | 0 | 113.9 | Q311 L312 | Q311-S315 WeakPolarHBondContact O-CB 2.92Å; Q311-S315 PolarHBondContact O-N 3.2Å; Q311-S315 PolarHBondContact O-OG 2.92Å; L312-S315 PolarHBondContact O-N 3.07Å; L312-S315 PolarHBondContact O-OG 2.78Å |
| 316 | V | 90.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -101.1 | 0.5 | -179.3 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | I266 T267 L312 L313 K314 S318 F319 Y320 | I266-V316 HydrophobicContact CG2-CG1 3.8Å; T267-V316 HydrophobicContact CG2-CG1 4.2Å; T267-V316 HydrophobicContact CG2-CG2 4Å; L312-V316 HydrophobicContact CD1-CG2 3.87Å; L312-V316 HydrophobicContact CG-CG2 4.48Å; L312-V316 WeakPolarHBondContact O-CG2 3.28Å; L312-V316 PolarHBondContact O-N 2.94Å; L313-V316 PolarHBondContact O-N 3.44Å; K314-V316 PolarHBondContact O-N 3.36Å; V316-S318 VanDerWaalsContact C-N 3.31Å; V316-S318 PolarHBondContact O-N 3.33Å; V316-S318 VanDerWaalsContact O-N 3.17Å; V316-F319 HydrophobicContact CB-CD2 4.49Å; V316-F319 HydrophobicContact CG1-CB 3.91Å; V316-F319 HydrophobicContact CG1-CD2 4.09Å; V316-F319 HydrophobicContact CG1-CG 4.15Å; V316-F319 VanDerWaalsContact O-CB 3.32Å; V316-F319 WeakPolarHBondContact O-CB 3.3Å; V316-F319 WeakPolarHBondContact O-CD2 3.49Å; V316-F319 PolarHBondContact O-N 3.37Å; V316-Y320 HydrophobicContact CB-CE1 4.46Å; V316-Y320 HydrophobicContact CG1-CD1 4.2Å; V316-Y320 VanDerWaalsContact O-CD1 3.26Å; V316-Y320 WeakPolarHBondContact O-CD1 3.46Å |
| 317 | E | 89.7 | Confident | 88.2 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -52.9 | -42.8 | -175.7 | -169.8 | -178.9 | 165.2 | 0 | 0 | 113.5 | L313 K314 F319 Y320 H321 Y389 | L313-E317 PolarHBondContact O-N 2.83Å; K314-E317 WeakPolarHBondContact O-CB 3.18Å; K314-E317 PolarHBondContact O-N 3.33Å; E317-F319 PolarHBondContact O-N 2.64Å; E317-F319 VanDerWaalsContact O-N 3.13Å; E317-Y320 VanDerWaalsContact CA-CE1 3.47Å; E317-Y320 HydrophobicContact CB-CE1 4.4Å; E317-Y320 HydrophobicContact CG-CE2 4.3Å; E317-Y320 PolarHBondContact O-N 3Å; E317-H321 VanDerWaalsContact O-CB 3.3Å; E317-H321 WeakPolarHBondContact O-CB 3.17Å; E317-H321 PolarHBondContact O-N 3.03Å; E317-Y389 HydrophobicContact CG-CE1 3.69Å; E317-Y389 VanDerWaalsContact OE1-CE1 3.25Å; E317-Y389 WeakPolarHBondContact OE1-CE1 3.29Å; E317-Y389 PolarHBondContact OE1-OH 3.42Å |
| 318 | S | 88.5 | Confident | 87.8 | Confident | 88 Ų | 88 | 58.5 Ų | 58.5 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.9 | -17.4 | 178.2 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | V316 | V316-S318 VanDerWaalsContact C-N 3.31Å; V316-S318 PolarHBondContact O-N 3.33Å; V316-S318 VanDerWaalsContact O-N 3.17Å |
| 319 | F | 86.7 | Confident | 87.3 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -86.8 | -41.8 | -179.8 | -63 | -107.5 | 0 | 0 | 0 | 111.3 | T267 V316 E317 S324 Q326 A329 | T267-F319 HydrophobicContact CG2-CD1 3.97Å; T267-F319 HydrophobicContact CG2-CD2 4.16Å; T267-F319 HydrophobicContact CG2-CE1 3.68Å; T267-F319 HydrophobicContact CG2-CE2 3.88Å; T267-F319 HydrophobicContact CG2-CG 4.22Å; T267-F319 HydrophobicContact CG2-CZ 3.63Å; V316-F319 HydrophobicContact CB-CD2 4.49Å; V316-F319 HydrophobicContact CG1-CB 3.91Å; V316-F319 HydrophobicContact CG1-CD2 4.09Å; V316-F319 HydrophobicContact CG1-CG 4.15Å; V316-F319 VanDerWaalsContact O-CB 3.32Å; V316-F319 WeakPolarHBondContact O-CB 3.3Å; V316-F319 WeakPolarHBondContact O-CD2 3.49Å; V316-F319 PolarHBondContact O-N 3.37Å; E317-F319 PolarHBondContact O-N 2.64Å; E317-F319 VanDerWaalsContact O-N 3.13Å; F319-S324 WeakPolarHBondContact O-CB 3.31Å; F319-S324 PolarHBondContact O-OG 3.26Å; F319-Q326 VanDerWaalsContact CD1-OE1 3.26Å; F319-A329 HydrophobicContact CB-CB 3.87Å |
| 320 | Y | 88.4 | Confident | 87 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 6% | 0.059 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -95.6 | -8.5 | -178.9 | 66.4 | -106.3 | 0 | 0 | 0 | 115 | L313 V316 E317 L333 I385 Y389 F390 | L313-Y320 WeakPolarHBondContact O-CE1 3.43Å; L313-Y320 PolarHBondContact O-OH 3.36Å; V316-Y320 HydrophobicContact CB-CE1 4.46Å; V316-Y320 HydrophobicContact CG1-CD1 4.2Å; V316-Y320 VanDerWaalsContact O-CD1 3.26Å; V316-Y320 WeakPolarHBondContact O-CD1 3.46Å; E317-Y320 VanDerWaalsContact CA-CE1 3.47Å; E317-Y320 HydrophobicContact CB-CE1 4.4Å; E317-Y320 HydrophobicContact CG-CE2 4.3Å; E317-Y320 PolarHBondContact O-N 3Å; Y320-L333 HydrophobicContact CD1-CD2 3.23Å; Y320-L333 HydrophobicContact CE1-CD2 3.53Å; Y320-L333 HydrophobicContact CG-CD2 3.88Å; Y320-I385 HydrophobicContact CD2-CG2 4.32Å; Y320-I385 HydrophobicContact CE2-CG1 4.5Å; Y320-I385 HydrophobicContact CE2-CG2 3.84Å; Y320-Y389 HydrophobicContact CD2-CD1 4.08Å; Y320-Y389 HydrophobicContact CD2-CG 4.35Å; Y320-Y389 AromaticContact CE2-CD1 3.74Å; Y320-Y389 HydrophobicContact CE2-CD1 3.74Å; Y320-Y389 HydrophobicContact CE2-CE1 4.23Å; Y320-Y389 HydrophobicContact CE2-CG 4Å; Y320-F390 HydrophobicContact CD2-CD1 4.28Å; Y320-F390 AromaticContact CD2-CE1 3.74Å; Y320-F390 HydrophobicContact CD2-CE1 3.74Å; Y320-F390 HydrophobicContact CE2-CE1 4.45Å; Y320-F390 AromaticContact CG-CE1 3.92Å; Y320-F390 HydrophobicContact CG-CE1 3.92Å |
| 321 | H | 88.9 | Confident | 86.6 | Confident | 75 Ų | 75 | 54.6 Ų | 54.6 | 35% | 0.347 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -58.3 | 137.3 | 175.5 | -179.7 | -99 | 0 | 0 | 0 | 112 | E317 S323 S324 Y389 | E317-H321 VanDerWaalsContact O-CB 3.3Å; E317-H321 WeakPolarHBondContact O-CB 3.17Å; E317-H321 PolarHBondContact O-N 3.03Å; H321-S323 PolarHBondContact CE1-OG 3.21Å; H321-S323 WeakPolarHBondContact ND1-CB 3.48Å; H321-S323 PolarHBondContact ND1-N 3.45Å; H321-S323 PolarHBondContact ND1-OG 2.69Å; H321-S323 PolarHBondContact O-N 2.79Å; H321-S324 WeakPolarHBondContact O-CB 3.25Å; H321-S324 PolarHBondContact O-N 2.93Å; H321-Y389 HydrophobicContact CB-CD1 4.34Å; H321-Y389 AromaticContact CD2-CD1 3.79Å; H321-Y389 AromaticContact CD2-CE1 3.83Å |
| 322 | P | 83.2 | Confident | 86.4 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -22.6 | -176.1 | -36.1 | 40.3 | 0 | 0 | 0 | 117.6 | S324 Y389 Y392 K394 | P322-S324 VanDerWaalsContact C-N 3.32Å; P322-Y389 WeakPolarHBondContact CG-O 3.31Å; P322-Y392 WeakPolarHBondContact CB-O 3.3Å; P322-K394 WeakPolarHBondContact O-CE 3.24Å; P322-K394 PolarHBondContact O-NZ 2.71Å |
| 323 | S | 84.4 | Confident | 86.3 | Confident | 87 Ų | 87 | 49 Ų | 49 | 61% | 0.608 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -17.2 | 175.5 | 71.3 | 0 | 0 | 0 | 0 | 113.9 | H321 K394 | H321-S323 PolarHBondContact CE1-OG 3.21Å; H321-S323 WeakPolarHBondContact ND1-CB 3.48Å; H321-S323 PolarHBondContact ND1-N 3.45Å; H321-S323 PolarHBondContact ND1-OG 2.69Å; H321-S323 PolarHBondContact O-N 2.79Å; S323-K394 PolarHBondContact O-NZ 3.12Å |
| 324 | S | 82.7 | Confident | 86.2 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | trans | -64.2 | 163.8 | -177 | 107.3 | 0 | 0 | 0 | 0 | 112.3 | F319 H321 P322 Q326 F327 K394 | F319-S324 WeakPolarHBondContact O-CB 3.31Å; F319-S324 PolarHBondContact O-OG 3.26Å; H321-S324 WeakPolarHBondContact O-CB 3.25Å; H321-S324 PolarHBondContact O-N 2.93Å; P322-S324 VanDerWaalsContact C-N 3.32Å; S324-Q326 PolarHBondContact OG-N 3.13Å; S324-F327 WeakPolarHBondContact O-CE1 3.27Å; S324-K394 PolarHBondContact O-NZ 3.17Å | ||
| 325 | S | 76.8 | Confident | 86.2 | Confident | 95 Ų | 95 | 43.3 Ų | 43.3 | 66% | 0.664 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -106.9 | 7.3 | 170.1 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | F327 | S325-F327 PolarHBondContact O-N 3.18Š|
| 326 | Q | 75.6 | Confident | 86.4 | Confident | 82 Ų | 82 | 40 Ų | 40 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | trans | -104.2 | 59.2 | -173.5 | -60.2 | -165.9 | 20.3 | 0 | 0 | 110.8 | F319 S324 E328 A329 | F319-Q326 VanDerWaalsContact CD1-OE1 3.26Å; S324-Q326 PolarHBondContact OG-N 3.13Å; Q326-E328 PolarHBondContact O-N 3.37Å; Q326-E328 VanDerWaalsContact O-N 3.14Å; Q326-A329 HydrophobicContact CB-CB 4.38Å; Q326-A329 WeakPolarHBondContact O-CB 3.43Å; Q326-A329 PolarHBondContact O-N 2.66Å | ||
| 327 | F | 78.8 | Confident | 86.6 | Confident | 77 Ų | 77 | 39.9 Ų | 39.9 | 34% | 0.338 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.4 | -35.4 | -174.8 | -51.4 | -48.3 | 0 | 0 | 0 | 113.2 | S324 S325 A329 G330 K331 K394 | S324-F327 WeakPolarHBondContact O-CE1 3.27Å; S325-F327 PolarHBondContact O-N 3.18Å; F327-A329 VanDerWaalsContact C-N 3.35Å; F327-A329 PolarHBondContact O-N 2.7Å; F327-G330 CarbonylContact O-C 3.52Å; F327-G330 WeakPolarHBondContact O-CA 3.34Å; F327-G330 PolarHBondContact O-N 3.26Å; F327-G330 VanDerWaalsContact O-N 3.09Å; F327-K331 PolarHBondContact O-N 2.86Å; F327-K394 HydrophobicContact CE1-CB 3.85Å; F327-K394 HydrophobicContact CE1-CD 3.99Å; F327-K394 HydrophobicContact CE1-CG 4.41Å; F327-K394 HydrophobicContact CZ-CB 4.22Å; F327-K394 HydrophobicContact CZ-CD 4.09Å |
| 328 | E | 82.1 | Confident | 86.9 | Confident | 77 Ų | 77 | 37.3 Ų | 37.3 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.1 | -41.3 | 173.6 | -59.6 | -40.1 | 116.1 | 0 | 0 | 113.5 | Q326 G330 K331 L332 | Q326-E328 PolarHBondContact O-N 3.37Å; Q326-E328 VanDerWaalsContact O-N 3.14Å; E328-G330 VanDerWaalsContact C-N 3.25Å; E328-G330 PolarHBondContact O-N 3.3Å; E328-K331 PolarHBondContact O-N 3.41Å; E328-L332 VanDerWaalsContact O-CB 3.25Å; E328-L332 WeakPolarHBondContact O-CB 3.24Å; E328-L332 WeakPolarHBondContact O-CD1 3.5Å; E328-L332 WeakPolarHBondContact O-CG 3.27Å; E328-L332 PolarHBondContact O-N 3.43Å |
| 329 | A | 84.3 | Confident | 87.1 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -34.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I266 F319 Q326 F327 L333 | I266-A329 HydrophobicContact CG2-CB 4.06Å; F319-A329 HydrophobicContact CB-CB 3.87Å; Q326-A329 HydrophobicContact CB-CB 4.38Å; Q326-A329 WeakPolarHBondContact O-CB 3.43Å; Q326-A329 PolarHBondContact O-N 2.66Å; F327-A329 VanDerWaalsContact C-N 3.35Å; F327-A329 PolarHBondContact O-N 2.7Å; A329-L333 VanDerWaalsContact O-CB 3.31Å; A329-L333 WeakPolarHBondContact O-CB 3.38Å; A329-L333 PolarHBondContact O-N 3Å; A329-L333 VanDerWaalsContact O-N 3.08Å |
| 330 | G | 86.8 | Confident | 87.6 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69 | -44 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | F327 E328 L333 S334 | F327-G330 CarbonylContact O-C 3.52Å; F327-G330 WeakPolarHBondContact O-CA 3.34Å; F327-G330 PolarHBondContact O-N 3.26Å; F327-G330 VanDerWaalsContact O-N 3.09Å; E328-G330 VanDerWaalsContact C-N 3.25Å; E328-G330 PolarHBondContact O-N 3.3Å; G330-L333 PolarHBondContact O-N 3.34Å; G330-S334 WeakPolarHBondContact O-CB 3.23Å; G330-S334 PolarHBondContact O-N 3.42Å; G330-S334 PolarHBondContact O-OG 3.32Å |
| 331 | K | 87.5 | Confident | 87.9 | Confident | 45 Ų | 45 | 31.4 Ų | 31.4 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.2 | -53.4 | 175.9 | -175 | -178.7 | 179.1 | -178.2 | 0 | 110.7 | F327 E328 L333 S334 C335 V398 | F327-K331 PolarHBondContact O-N 2.86Å; E328-K331 PolarHBondContact O-N 3.41Å; K331-L333 PolarHBondContact O-N 2.88Å; K331-S334 PolarHBondContact O-N 2.95Å; K331-S334 VanDerWaalsContact O-N 3.12Å; K331-S334 PolarHBondContact O-OG 3.08Å; K331-C335 PolarHBondContact O-N 3.48Å; K331-C335 PolarHBondContact O-SG 2.67Å; K331-C335 VanDerWaalsContact O-SG 3.35Å; K331-V398 HydrophobicContact CB-CG2 4.26Å |
| 332 | L | 89.2 | Confident | 88 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 178.3 | -67.8 | 170 | 0 | 0 | 0 | 112.1 | N269 I280 I283 E328 C335 F336 | N269-L332 HydrophobicContact CB-CD1 4.35Å; I280-L332 HydrophobicContact CG1-CD2 4.27Å; I283-L332 HydrophobicContact CD1-CB 3.63Å; I283-L332 HydrophobicContact CD1-CD1 4.21Å; I283-L332 HydrophobicContact CD1-CD2 3.67Å; I283-L332 HydrophobicContact CD1-CG 4Å; E328-L332 VanDerWaalsContact O-CB 3.25Å; E328-L332 WeakPolarHBondContact O-CB 3.24Å; E328-L332 WeakPolarHBondContact O-CD1 3.5Å; E328-L332 WeakPolarHBondContact O-CG 3.27Å; E328-L332 PolarHBondContact O-N 3.43Å; L332-C335 PolarHBondContact O-N 2.68Å; L332-F336 PolarHBondContact O-N 2.67Å |
| 333 | L | 91.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.5 | -31.8 | 176 | -172.4 | 64.1 | 0 | 0 | 0 | 113 | I266 L313 Y320 A329 G330 K331 F336 I337 F390 | I266-L333 HydrophobicContact CD1-CD1 4.06Å; L313-L333 HydrophobicContact CD2-CD1 3.92Å; L313-L333 HydrophobicContact CD2-CD2 4.17Å; Y320-L333 HydrophobicContact CD1-CD2 3.23Å; Y320-L333 HydrophobicContact CE1-CD2 3.53Å; Y320-L333 HydrophobicContact CG-CD2 3.88Å; A329-L333 VanDerWaalsContact O-CB 3.31Å; A329-L333 WeakPolarHBondContact O-CB 3.38Å; A329-L333 PolarHBondContact O-N 3Å; A329-L333 VanDerWaalsContact O-N 3.08Å; G330-L333 PolarHBondContact O-N 3.34Å; K331-L333 PolarHBondContact O-N 2.88Å; L333-F336 HydrophobicContact CD1-CB 4.34Å; L333-F336 HydrophobicContact CD1-CD1 4.14Å; L333-F336 HydrophobicContact CD1-CG 4.47Å; L333-F336 WeakPolarHBondContact O-CB 3.49Å; L333-F336 PolarHBondContact O-N 2.85Å; L333-I337 HydrophobicContact CG-CD1 4.37Å; L333-I337 WeakPolarHBondContact O-CG1 3.34Å; L333-I337 PolarHBondContact O-N 3.32Å; L333-F390 HydrophobicContact CB-CZ 4.26Å; L333-F390 HydrophobicContact CD2-CE1 4.31Å; L333-F390 HydrophobicContact CD2-CZ 3.94Å; L333-F390 HydrophobicContact CG-CZ 3.95Å |
| 334 | S | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 172.6 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | G330 K331 F336 I337 L338 T401 I405 | G330-S334 WeakPolarHBondContact O-CB 3.23Å; G330-S334 PolarHBondContact O-N 3.42Å; G330-S334 PolarHBondContact O-OG 3.32Å; K331-S334 PolarHBondContact O-N 2.95Å; K331-S334 VanDerWaalsContact O-N 3.12Å; K331-S334 PolarHBondContact O-OG 3.08Å; S334-F336 PolarHBondContact O-N 3.49Å; S334-I337 PolarHBondContact O-N 2.94Å; S334-L338 WeakPolarHBondContact O-CB 3.13Å; S334-L338 PolarHBondContact O-N 2.93Å; S334-T401 WeakPolarHBondContact OG-CG2 3.49Å; S334-I405 WeakPolarHBondContact O-CD1 3.08Å |
| 335 | C | 91.8 | Very high | 89.2 | Confident | 16 Ų | 16 | 26 Ų | 26 | 11% | 0.108 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 172.1 | -61.5 | 0 | 0 | 0 | 0 | 112 | I280 K331 L332 I337 L338 K339 | I280-C335 HydrophobicContact CG2-CB 3.8Å; K331-C335 PolarHBondContact O-N 3.48Å; K331-C335 PolarHBondContact O-SG 2.67Å; K331-C335 VanDerWaalsContact O-SG 3.35Å; L332-C335 PolarHBondContact O-N 2.68Å; C335-I337 PolarHBondContact O-N 3.02Å; C335-L338 PolarHBondContact O-N 3.12Å; C335-K339 PolarHBondContact O-N 3.27Å |
| 336 | F | 94.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -53.9 | -51.7 | 173 | 178.9 | -94 | 0 | 0 | 0 | 111.7 | L262 I283 A287 I290 L309 L332 L333 S334 K339 F340 | L262-F336 HydrophobicContact CD1-CD2 3.92Å; L262-F336 HydrophobicContact CD1-CE2 4.05Å; L262-F336 HydrophobicContact CD2-CD2 4.02Å; L262-F336 HydrophobicContact CD2-CE2 3.35Å; L262-F336 HydrophobicContact CD2-CZ 3.71Å; L262-F336 HydrophobicContact CG-CE2 4.36Å; I283-F336 HydrophobicContact CG2-CB 3.6Å; I283-F336 HydrophobicContact CG2-CD2 3.88Å; I283-F336 HydrophobicContact CG2-CG 4.23Å; A287-F336 VanDerWaalsContact CA-CE2 3.41Å; A287-F336 HydrophobicContact CB-CD2 3.6Å; A287-F336 HydrophobicContact CB-CE2 3.74Å; A287-F336 HydrophobicContact CB-CG 4.21Å; A287-F336 HydrophobicContact CB-CZ 4.45Å; A287-F336 WeakPolarHBondContact CB-O 3.23Å; I290-F336 HydrophobicContact CD1-CE2 4.2Å; I290-F336 HydrophobicContact CD1-CZ 4.14Å; L309-F336 HydrophobicContact CD1-CE1 4.04Å; L309-F336 HydrophobicContact CD1-CZ 4.26Å; L332-F336 PolarHBondContact O-N 2.67Å; L333-F336 HydrophobicContact CD1-CB 4.34Å; L333-F336 HydrophobicContact CD1-CD1 4.14Å; L333-F336 HydrophobicContact CD1-CG 4.47Å; L333-F336 WeakPolarHBondContact O-CB 3.49Å; L333-F336 PolarHBondContact O-N 2.85Å; S334-F336 PolarHBondContact O-N 3.49Å; F336-K339 PolarHBondContact O-N 3.32Å; F336-F340 HydrophobicContact CE1-CD2 4.09Å; F336-F340 AromaticContact CZ-CD2 4Å; F336-F340 HydrophobicContact CZ-CD2 4Å; F336-F340 WeakPolarHBondContact O-CB 3.4Å; F336-F340 PolarHBondContact O-N 2.84Å |
| 337 | I | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.5 | -40.4 | -178.3 | -65.7 | 176.5 | 0 | 0 | 0 | 111 | L333 S334 C335 F340 L341 F382 I385 F390 I405 | L333-I337 HydrophobicContact CG-CD1 4.37Å; L333-I337 WeakPolarHBondContact O-CG1 3.34Å; L333-I337 PolarHBondContact O-N 3.32Å; S334-I337 PolarHBondContact O-N 2.94Å; C335-I337 PolarHBondContact O-N 3.02Å; I337-F340 PolarHBondContact O-N 3.23Å; I337-L341 HydrophobicContact CG2-CD1 3.82Å; I337-L341 HydrophobicContact CG2-CG 4.37Å; I337-L341 WeakPolarHBondContact O-CB 3.42Å; I337-L341 VanDerWaalsContact O-CG 3.27Å; I337-L341 WeakPolarHBondContact O-CG 3.47Å; I337-L341 PolarHBondContact O-N 3.08Å; I337-F382 HydrophobicContact CD1-CD1 3.55Å; I337-F382 HydrophobicContact CD1-CE1 3.85Å; I337-F382 HydrophobicContact CD1-CG 4.28Å; I337-F382 HydrophobicContact CG1-CD1 3.77Å; I337-F382 HydrophobicContact CG1-CE1 3.63Å; I337-F382 HydrophobicContact CG1-CG 4.42Å; I337-F382 HydrophobicContact CG1-CZ 4.16Å; I337-F382 HydrophobicContact CG2-CB 4.32Å; I337-F382 HydrophobicContact CG2-CD1 4.18Å; I337-F382 HydrophobicContact CG2-CD2 4.08Å; I337-F382 HydrophobicContact CG2-CE2 4.4Å; I337-F382 HydrophobicContact CG2-CG 3.96Å; I337-I385 HydrophobicContact CD1-CG2 4.39Å; I337-F390 HydrophobicContact CD1-CE2 3.9Å; I337-F390 HydrophobicContact CD1-CZ 4.07Å; I337-I405 HydrophobicContact CB-CD1 4.09Å; I337-I405 HydrophobicContact CG2-CD1 3.96Å; I337-I405 HydrophobicContact CG2-CG1 4.33Å; I337-I405 HydrophobicContact CG2-CG2 3.94Å |
| 338 | L | 94.6 | Very high | 90.5 | Very high | 14 Ų | 14 | 14.8 Ų | 14.8 | 7% | 0.073 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.2 | -50.3 | 176.1 | -179.7 | 62.1 | 0 | 0 | 0 | 111.8 | S334 C335 L341 R342 T401 K404 I405 M408 | S334-L338 WeakPolarHBondContact O-CB 3.13Å; S334-L338 PolarHBondContact O-N 2.93Å; C335-L338 PolarHBondContact O-N 3.12Å; L338-L341 PolarHBondContact O-N 3.23Å; L338-R342 HydrophobicContact CD1-CG 4.48Å; L338-R342 WeakPolarHBondContact O-CB 3.41Å; L338-R342 WeakPolarHBondContact O-CG 3.36Å; L338-R342 PolarHBondContact O-N 3.35Å; L338-T401 HydrophobicContact CB-CG2 4.29Å; L338-T401 HydrophobicContact CD2-CG2 4.11Å; L338-K404 HydrophobicContact CD1-CB 4.35Å; L338-I405 HydrophobicContact CB-CD1 4.16Å; L338-I405 HydrophobicContact CB-CG1 3.9Å; L338-I405 HydrophobicContact CD1-CG1 4.06Å; L338-M408 HydrophobicContact CD1-CE 3.5Å; L338-M408 VanDerWaalsContact CD1-CE 3.5Å; L338-M408 HydrophobicContact CD1-SD 3.99Å |
| 339 | K | 93.8 | Very high | 90.5 | Very high | 27 Ų | 27 | 12.7 Ų | 12.7 | 12% | 0.117 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 177.1 | -174.6 | 69.8 | 160 | -142.8 | 0 | 111.3 | E284 A287 C335 F336 L341 R342 C343 | E284-K339 HydrophobicContact CB-CB 4.25Å; E284-K339 HydrophobicContact CB-CD 4.06Å; E284-K339 HydrophobicContact CB-CG 3.75Å; E284-K339 HydrophobicContact CG-CB 3.94Å; E284-K339 HydrophobicContact CG-CD 4.14Å; E284-K339 HydrophobicContact CG-CG 3.94Å; E284-K339 WeakPolarHBondContact OE2-CD 3.17Å; E284-K339 WeakPolarHBondContact OE2-CE 3.37Å; E284-K339 IonicContact OE2-NZ 2.69Å; E284-K339 PolarHBondContact OE2-NZ 3.04Å; A287-K339 HydrophobicContact CB-CB 3.88Å; A287-K339 HydrophobicContact CB-CG 3.99Å; C335-K339 PolarHBondContact O-N 3.27Å; F336-K339 PolarHBondContact O-N 3.32Å; K339-L341 VanDerWaalsContact C-N 3.27Å; K339-L341 PolarHBondContact O-N 2.96Å; K339-R342 PolarHBondContact O-N 3.4Å; K339-C343 WeakPolarHBondContact O-CB 3.42Å; K339-C343 PolarHBondContact O-N 3.19Å; K339-C343 PolarHBondContact O-SG 3.36Å |
| 340 | F | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -55 | -44.2 | 178.1 | -168.9 | -75.1 | 0 | 0 | 0 | 111.3 | A287 I290 M291 I294 L309 F336 I337 L344 I378 F382 | A287-F340 HydrophobicContact CB-CB 4.19Å; I290-F340 HydrophobicContact CB-CE2 4.37Å; I290-F340 HydrophobicContact CG2-CE2 4.03Å; M291-F340 HydrophobicContact CB-CD1 4.37Å; M291-F340 HydrophobicContact CB-CD2 3.94Å; M291-F340 HydrophobicContact CB-CE1 4.27Å; M291-F340 HydrophobicContact CB-CE2 3.85Å; M291-F340 HydrophobicContact CB-CG 4.22Å; M291-F340 HydrophobicContact CB-CZ 4.03Å; M291-F340 HydrophobicContact CG-CD1 4.16Å; M291-F340 HydrophobicContact CG-CE1 4.02Å; M291-F340 HydrophobicContact CG-CE2 4.48Å; M291-F340 HydrophobicContact CG-CG 4.45Å; M291-F340 HydrophobicContact CG-CZ 4.21Å; I294-F340 HydrophobicContact CD1-CZ 3.77Å; L309-F340 HydrophobicContact CD2-CE2 4.15Å; L309-F340 HydrophobicContact CD2-CZ 4.12Å; F336-F340 HydrophobicContact CE1-CD2 4.09Å; F336-F340 AromaticContact CZ-CD2 4Å; F336-F340 HydrophobicContact CZ-CD2 4Å; F336-F340 WeakPolarHBondContact O-CB 3.4Å; F336-F340 PolarHBondContact O-N 2.84Å; I337-F340 PolarHBondContact O-N 3.23Å; F340-L344 VanDerWaalsContact O-CB 3.29Å; F340-L344 WeakPolarHBondContact O-CB 3.26Å; F340-L344 PolarHBondContact O-N 3.06Å; F340-I378 HydrophobicContact CD1-CG2 4.39Å; F340-I378 HydrophobicContact CE1-CD1 4.23Å; F340-I378 HydrophobicContact CE1-CG1 4.37Å; F340-I378 HydrophobicContact CE1-CG2 3.76Å; F340-F382 AromaticContact CD1-CE2 3.64Å; F340-F382 HydrophobicContact CD1-CE2 3.64Å; F340-F382 HydrophobicContact CD1-CZ 4.05Å; F340-F382 AromaticContact CE1-CE2 3.9Å; F340-F382 HydrophobicContact CE1-CE2 3.9Å; F340-F382 HydrophobicContact CE1-CZ 4.28Å; F340-F382 HydrophobicContact CG-CE2 4.18Å; F340-F382 HydrophobicContact CG-CZ 4.19Å |
| 341 | L | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -73.9 | -40.8 | 178.6 | -65.9 | 171.8 | 0 | 0 | 0 | 113 | I337 L338 K339 C343 L344 I345 I378 F382 I405 M408 L409 L412 | I337-L341 HydrophobicContact CG2-CD1 3.82Å; I337-L341 HydrophobicContact CG2-CG 4.37Å; I337-L341 WeakPolarHBondContact O-CB 3.42Å; I337-L341 VanDerWaalsContact O-CG 3.27Å; I337-L341 WeakPolarHBondContact O-CG 3.47Å; I337-L341 PolarHBondContact O-N 3.08Å; L338-L341 PolarHBondContact O-N 3.23Å; K339-L341 VanDerWaalsContact C-N 3.27Å; K339-L341 PolarHBondContact O-N 2.96Å; L341-C343 VanDerWaalsContact C-N 3.27Å; L341-C343 PolarHBondContact O-N 2.82Å; L341-L344 HydrophobicContact CD2-CD2 4.18Å; L341-L344 PolarHBondContact O-N 2.65Å; L341-I345 WeakPolarHBondContact O-CG1 2.99Å; L341-I345 PolarHBondContact O-N 3.31Å; L341-I378 HydrophobicContact CD2-CG2 4.46Å; L341-F382 HydrophobicContact CD2-CD2 4.17Å; L341-F382 HydrophobicContact CD2-CE2 4.4Å; L341-I405 HydrophobicContact CD1-CG2 3.7Å; L341-M408 HydrophobicContact CB-CB 4.24Å; L341-M408 HydrophobicContact CB-SD 4.07Å; L341-M408 HydrophobicContact CD1-CB 4.35Å; L341-L409 HydrophobicContact CD1-CD2 3.64Å; L341-L409 HydrophobicContact CD1-CG 3.88Å; L341-L409 HydrophobicContact CD2-CD2 3.79Å; L341-L409 HydrophobicContact CG-CD2 4.39Å; L341-L412 HydrophobicContact CD2-CD1 3.77Å |
| 342 | R | 91.7 | Very high | 89.8 | Confident | 52 Ų | 52 | 12 Ų | 12 | 20% | 0.196 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -54.5 | -45.1 | 170.3 | -79.2 | 179.1 | 160.6 | 166.7 | -4.9 | 110.3 | L338 K339 S346 M408 I484 D490 | L338-R342 HydrophobicContact CD1-CG 4.48Å; L338-R342 WeakPolarHBondContact O-CB 3.41Å; L338-R342 WeakPolarHBondContact O-CG 3.36Å; L338-R342 PolarHBondContact O-N 3.35Å; K339-R342 PolarHBondContact O-N 3.4Å; R342-S346 PolarHBondContact O-N 3.05Å; R342-S346 VanDerWaalsContact O-N 3.15Å; R342-M408 HydrophobicContact CG-CE 3.77Å; R342-M408 HydrophobicContact CG-SD 3.96Å; R342-I484 HydrophobicContact CG-CD1 4.32Å; R342-D490 IonicContact CZ-OD2 2.7Å; R342-D490 IonicContact NH2-OD2 3.85Å; R342-D490 PolarHBondContact NH2-OD2 2.85Å |
| 343 | C | 91.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 13.8 Ų | 13.8 | 7% | 0.074 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -70.8 | -38.9 | 178 | -64.5 | 0 | 0 | 0 | 0 | 112.9 | E288 M291 K339 L341 S346 R347 | E288-C343 HydrophobicContact CB-CB 4.43Å; E288-C343 HydrophobicContact CG-CB 4.25Å; M291-C343 HydrophobicContact CE-CB 3.9Å; M291-C343 WeakPolarHBondContact CE-O 3.45Å; M291-C343 HydrophobicContact CG-CB 4.34Å; K339-C343 WeakPolarHBondContact O-CB 3.42Å; K339-C343 PolarHBondContact O-N 3.19Å; K339-C343 PolarHBondContact O-SG 3.36Å; L341-C343 VanDerWaalsContact C-N 3.27Å; L341-C343 PolarHBondContact O-N 2.82Å; C343-S346 PolarHBondContact O-N 3.38Å; C343-R347 PolarHBondContact O-N 3.32Å |
| 344 | L | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 174.9 | 175.5 | 59.8 | 0 | 0 | 0 | 112.2 | M291 F340 L341 S346 R347 L348 L370 V375 I378 L412 | M291-L344 HydrophobicContact CG-CB 3.94Å; M291-L344 HydrophobicContact SD-CB 4.17Å; M291-L344 HydrophobicContact SD-CD1 4.22Å; F340-L344 VanDerWaalsContact O-CB 3.29Å; F340-L344 WeakPolarHBondContact O-CB 3.26Å; F340-L344 PolarHBondContact O-N 3.06Å; L341-L344 HydrophobicContact CD2-CD2 4.18Å; L341-L344 PolarHBondContact O-N 2.65Å; L344-S346 VanDerWaalsContact C-N 3.33Å; L344-S346 PolarHBondContact O-N 2.77Å; L344-R347 PolarHBondContact O-N 2.9Å; L344-L348 HydrophobicContact CD1-CD1 4.03Å; L344-L348 HydrophobicContact CD1-CG 4.19Å; L344-L348 HydrophobicContact CG-CD1 4.13Å; L344-L348 WeakPolarHBondContact O-CG 3.33Å; L344-L348 PolarHBondContact O-N 3Å; L344-L370 HydrophobicContact CD1-CD1 3.31Å; L344-V375 HydrophobicContact CD1-CG2 4.47Å; L344-I378 HydrophobicContact CD1-CD1 4.38Å; L344-I378 HydrophobicContact CD2-CD1 4.13Å; L344-I378 HydrophobicContact CD2-CG2 3.91Å; L344-L412 HydrophobicContact CD2-CD1 3.79Å; L344-L412 HydrophobicContact CD2-CD2 4.47Å; L344-L412 HydrophobicContact CG-CD1 4.43Å; L344-L412 HydrophobicContact CG-CD2 4.48Å |
| 345 | I | 89.9 | Confident | 87 | Confident | 29 Ų | 29 | 16.4 Ų | 16.4 | 15% | 0.149 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.9 | -69 | 168.4 | 0 | 0 | 0 | 110.3 | L341 R349 M408 L412 | L341-I345 WeakPolarHBondContact O-CG1 2.99Å; L341-I345 PolarHBondContact O-N 3.31Å; I345-R349 WeakPolarHBondContact O-CB 3.17Å; I345-R349 PolarHBondContact O-N 3.34Å; I345-M408 HydrophobicContact CD1-CB 3.93Å; I345-M408 HydrophobicContact CD1-CG 4.14Å; I345-M408 HydrophobicContact CD1-SD 4.35Å; I345-L412 HydrophobicContact CD1-CG 4.5Å; I345-L412 HydrophobicContact CG1-CD1 4.33Å; I345-L412 HydrophobicContact CG1-CD2 3.93Å; I345-L412 HydrophobicContact CG1-CG 4.15Å |
| 346 | S | 85.2 | Confident | 85.8 | Confident | 18 Ų | 18 | 18.7 Ų | 18.7 | 13% | 0.126 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 172.7 | -166 | 0 | 0 | 0 | 0 | 112 | R342 C343 L344 L348 R349 D350 | R342-S346 PolarHBondContact O-N 3.05Å; R342-S346 VanDerWaalsContact O-N 3.15Å; C343-S346 PolarHBondContact O-N 3.38Å; L344-S346 VanDerWaalsContact C-N 3.33Å; L344-S346 PolarHBondContact O-N 2.77Å; S346-L348 PolarHBondContact O-N 3.29Å; S346-R349 WeakPolarHBondContact O-CB 3.12Å; S346-R349 PolarHBondContact O-N 3.03Å; S346-R349 VanDerWaalsContact O-N 3.15Å; S346-R349 PolarHBondContact OG-NH2 2.94Å; S346-D350 PolarHBondContact O-N 2.85Å; S346-D350 VanDerWaalsContact O-OD2 3.08Å; S346-D350 PolarHBondContact OG-OD2 3Å |
| 347 | R | 88.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.8 | -48.9 | 177.4 | 177.1 | 168.1 | -179.8 | -171.3 | -4 | 111.6 | M291 I294 C343 L344 R349 D350 E351 F368 L370 | M291-R347 HydrophobicContact CE-CB 3.82Å; M291-R347 HydrophobicContact CE-CG 4.46Å; M291-R347 PolarHBondContact O-NH1 3.45Å; M291-R347 HydrophobicContact SD-CB 3.89Å; M291-R347 VanDerWaalsContact SD-CD 3.52Å; M291-R347 HydrophobicContact SD-CG 4.31Å; I294-R347 VanDerWaalsContact O-CZ 3.27Å; I294-R347 PolarHBondContact O-NH1 3.2Å; I294-R347 PolarHBondContact O-NH2 2.89Å; C343-R347 PolarHBondContact O-N 3.32Å; L344-R347 PolarHBondContact O-N 2.9Å; R347-R349 VanDerWaalsContact C-N 3.29Å; R347-R349 PolarHBondContact O-N 3.18Å; R347-D350 PolarHBondContact O-N 3.49Å; R347-D350 VanDerWaalsContact O-N 3.17Å; R347-E351 HydrophobicContact CG-CG 4.26Å; R347-E351 VanDerWaalsContact CG-OE1 3.29Å; R347-E351 WeakPolarHBondContact CG-OE1 3.5Å; R347-E351 IonicContact CZ-OE1 2.67Å; R347-E351 IonicContact NE-OE1 3.54Å; R347-E351 PolarHBondContact NE-OE1 3.37Å; R347-E351 IonicContact NH2-OE1 2.75Å; R347-E351 WeakPolarHBondContact O-CB 3.5Å; R347-E351 VanDerWaalsContact O-CG 3.27Å; R347-E351 WeakPolarHBondContact O-CG 3.34Å; R347-E351 PolarHBondContact O-N 2.63Å; R347-F368 PolarHBondContact NH2-O 3.11Å; R347-L370 HydrophobicContact CG-CD1 4.27Å |
| 348 | L | 86.9 | Confident | 83.1 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.2 | -33.6 | 177.3 | -69.5 | 169.8 | 0 | 0 | 0 | 112.4 | L344 S346 L352 L370 V375 L412 F596 | L344-L348 HydrophobicContact CD1-CD1 4.03Å; L344-L348 HydrophobicContact CD1-CG 4.19Å; L344-L348 HydrophobicContact CG-CD1 4.13Å; L344-L348 WeakPolarHBondContact O-CG 3.33Å; L344-L348 PolarHBondContact O-N 3Å; S346-L348 PolarHBondContact O-N 3.29Å; L348-L352 HydrophobicContact CB-CD1 4.47Å; L348-L352 WeakPolarHBondContact O-CB 3.27Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 2.88Å; L348-L370 HydrophobicContact CD2-CB 4.21Å; L348-L370 HydrophobicContact CD2-CD1 4.24Å; L348-V375 HydrophobicContact CD1-CG1 4.4Å; L348-V375 HydrophobicContact CD1-CG2 4.07Å; L348-V375 HydrophobicContact CD2-CG2 4.11Å; L348-L412 HydrophobicContact CD1-CD2 3.55Å; L348-F596 HydrophobicContact CD1-CZ 4.41Å |
| 349 | R | 81.5 | Confident | 82 | Confident | 32 Ų | 32 | 23.7 Ų | 23.7 | 12% | 0.121 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -49.7 | 170.9 | -178.8 | 179.9 | 60.6 | -152.6 | -8.3 | 111.3 | I345 S346 R347 E351 F353 L459 | I345-R349 WeakPolarHBondContact O-CB 3.17Å; I345-R349 PolarHBondContact O-N 3.34Å; S346-R349 WeakPolarHBondContact O-CB 3.12Å; S346-R349 PolarHBondContact O-N 3.03Å; S346-R349 VanDerWaalsContact O-N 3.15Å; S346-R349 PolarHBondContact OG-NH2 2.94Å; R347-R349 VanDerWaalsContact C-N 3.29Å; R347-R349 PolarHBondContact O-N 3.18Å; R349-E351 VanDerWaalsContact C-N 3.29Å; R349-E351 PolarHBondContact O-N 3.47Å; R349-F353 CarbonylContact O-C 3.55Å; R349-F353 VanDerWaalsContact O-CA 3.31Å; R349-F353 WeakPolarHBondContact O-CA 3.16Å; R349-F353 PolarHBondContact O-N 3.46Å; R349-L459 HydrophobicContact CB-CB 4.39Å; R349-L459 HydrophobicContact CB-CD2 3.81Å; R349-L459 HydrophobicContact CG-CB 4.23Å |
| 350 | D | 79.9 | Confident | 81 | Confident | 33 Ų | 33 | 23.6 Ų | 23.6 | 18% | 0.176 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.8 | -32.3 | -177 | -55.3 | -28.5 | 0 | 0 | 0 | 112 | R246 S346 R347 P354 | R246-D350 IonicContact NH1-OD2 2.99Å; S346-D350 PolarHBondContact O-N 2.85Å; S346-D350 VanDerWaalsContact O-OD2 3.08Å; S346-D350 PolarHBondContact OG-OD2 3Å; R347-D350 PolarHBondContact O-N 3.49Å; R347-D350 VanDerWaalsContact O-N 3.17Å; D350-P354 VanDerWaalsContact O-CA 3.23Å; D350-P354 WeakPolarHBondContact O-CA 3.4Å; D350-P354 WeakPolarHBondContact O-CB 3.28Å |
| 351 | E | 84.1 | Confident | 80.1 | Confident | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.019 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -81.8 | -44.9 | 178.5 | -67.9 | 179.9 | 177.2 | 0 | 0 | 112.8 | R347 R349 Y369 L370 V584 | R347-E351 HydrophobicContact CG-CG 4.26Å; R347-E351 VanDerWaalsContact CG-OE1 3.29Å; R347-E351 WeakPolarHBondContact CG-OE1 3.5Å; R347-E351 IonicContact CZ-OE1 2.67Å; R347-E351 IonicContact NE-OE1 3.54Å; R347-E351 PolarHBondContact NE-OE1 3.37Å; R347-E351 IonicContact NH2-OE1 2.75Å; R347-E351 WeakPolarHBondContact O-CB 3.5Å; R347-E351 VanDerWaalsContact O-CG 3.27Å; R347-E351 WeakPolarHBondContact O-CG 3.34Å; R347-E351 PolarHBondContact O-N 2.63Å; R349-E351 VanDerWaalsContact C-N 3.29Å; R349-E351 PolarHBondContact O-N 3.47Å; E351-Y369 HydrophobicContact CB-CD1 3.64Å; E351-Y369 HydrophobicContact CB-CE1 3.85Å; E351-Y369 HydrophobicContact CB-CG 4.02Å; E351-Y369 HydrophobicContact CG-CD1 3.39Å; E351-Y369 HydrophobicContact CG-CE1 3.71Å; E351-Y369 HydrophobicContact CG-CG 4.16Å; E351-Y369 VanDerWaalsContact OE2-CA 3.29Å; E351-Y369 WeakPolarHBondContact OE2-CA 3.32Å; E351-L370 PolarHBondContact OE2-N 2.9Å; E351-V584 WeakPolarHBondContact O-CG2 3.19Å |
| 352 | L | 80 | Confident | 79.1 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -83.3 | -32.7 | -176.2 | -60.8 | 173.7 | 0 | 0 | 0 | 113.3 | L348 P354 L459 R589 H592 F596 | L348-L352 HydrophobicContact CB-CD1 4.47Å; L348-L352 WeakPolarHBondContact O-CB 3.27Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 2.88Å; L352-P354 VanDerWaalsContact C-CD 3.49Å; L352-L459 HydrophobicContact CD1-CD1 4.03Å; L352-R589 HydrophobicContact CD2-CG 4.31Å; L352-R589 PolarHBondContact O-NE 3.45Å; L352-H592 HydrophobicContact CD1-CB 3.89Å; L352-H592 HydrophobicContact CD2-CB 4.31Å; L352-F596 HydrophobicContact CD1-CE2 3.87Å; L352-F596 HydrophobicContact CD1-CZ 4.15Å |
| 353 | F | 75.8 | Confident | 78.4 | Confident | 45 Ų | 45 | 26.2 Ų | 26.2 | 20% | 0.197 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -133.9 | 57.3 | -175.6 | -61 | -80.9 | 0 | 0 | 0 | 111.7 | R349 F457 L459 Y581 R589 L593 | R349-F353 CarbonylContact O-C 3.55Å; R349-F353 VanDerWaalsContact O-CA 3.31Å; R349-F353 WeakPolarHBondContact O-CA 3.16Å; R349-F353 PolarHBondContact O-N 3.46Å; F353-F457 HydrophobicContact CE1-CE1 4.46Å; F353-F457 HydrophobicContact CE1-CZ 4.01Å; F353-F457 HydrophobicContact CE2-CE1 4.2Å; F353-F457 AromaticContact CE2-CZ 3.88Å; F353-F457 HydrophobicContact CE2-CZ 3.88Å; F353-F457 HydrophobicContact CZ-CE1 4.17Å; F353-F457 AromaticContact CZ-CZ 3.53Å; F353-F457 HydrophobicContact CZ-CZ 3.53Å; F353-L459 HydrophobicContact CD2-CB 3.86Å; F353-L459 HydrophobicContact CD2-CD1 3.66Å; F353-L459 HydrophobicContact CD2-CG 4.4Å; F353-L459 HydrophobicContact CE2-CB 4.33Å; F353-L459 HydrophobicContact CE2-CD1 3.61Å; F353-Y581 HydrophobicContact CD1-CD1 4.46Å; F353-R589 HydrophobicContact CZ-CG 4.32Å; F353-L593 HydrophobicContact CE2-CD2 4.34Å; F353-L593 HydrophobicContact CZ-CD1 4.43Å; F353-L593 HydrophobicContact CZ-CD2 4.13Å |
| 354 | P | 71.5 | Confident | 77.7 | Confident | 13 Ų | 13 | 26.4 Ų | 26.4 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | trans | -52 | 134.5 | -175.1 | 17.8 | -32.6 | 0 | 0 | 0 | 112.5 | D350 L352 A358 A580 | D350-P354 VanDerWaalsContact O-CA 3.23Å; D350-P354 WeakPolarHBondContact O-CA 3.4Å; D350-P354 WeakPolarHBondContact O-CB 3.28Å; L352-P354 VanDerWaalsContact C-CD 3.49Å; P354-A358 HydrophobicContact CB-CB 4.2Å; P354-A580 HydrophobicContact CB-CB 4.43Å; P354-A580 HydrophobicContact CG-CB 4.14Å | ||
| 355 | P | 66.3 | Low | 77.1 | Confident | 44 Ų | 44 | 28 Ų | 28 | 29% | 0.286 | 15% | 0.153 | S | C | . | . | trans | -61.8 | 153.5 | 176.6 | 26.8 | -34.1 | 0 | 0 | 0 | 110.2 | E357 A358 | P355-E357 PolarHBondContact O-N 3.02Å; P355-A358 HydrophobicContact CG-CB 4.3Å; P355-A358 WeakPolarHBondContact O-CB 3.34Å; P355-A358 PolarHBondContact O-N 3.22Å | ||
| 356 | V | 65.7 | Low | 76.5 | Confident | 65 Ų | 65 | 29.5 Ų | 29.5 | 39% | 0.394 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.5 | -179 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | L359 Y577 | V356-L359 WeakPolarHBondContact O-CB 3.4Å; V356-Y577 HydrophobicContact CG1-CD1 4.17Å; V356-Y577 HydrophobicContact CG1-CE1 3.77Å |
| 357 | E | 66.5 | Low | 76.1 | Confident | 26 Ų | 26 | 34.6 Ų | 34.6 | 12% | 0.121 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -22.6 | 179.7 | -63.5 | -174.4 | -130.9 | 0 | 0 | 114.3 | S110 Y111 K162 P355 L359 D360 L361 | S110-E357 VanDerWaalsContact C-CD 3.48Å; S110-E357 VanDerWaalsContact CB-OE1 3.29Å; S110-E357 WeakPolarHBondContact CB-OE1 3.4Å; S110-E357 WeakPolarHBondContact CB-OE2 3.2Å; S110-E357 VanDerWaalsContact OG-CD 3.26Å; S110-E357 PolarHBondContact OG-OE1 2.73Å; S110-E357 PolarHBondContact OG-OE2 3.36Å; Y111-E357 VanDerWaalsContact CA-CG 3.49Å; Y111-E357 VanDerWaalsContact N-CD 3.3Å; Y111-E357 PolarHBondContact N-OE1 3.01Å; K162-E357 IonicContact NZ-OE2 3.51Å; K162-E357 PolarHBondContact NZ-OE2 3.33Å; P355-E357 PolarHBondContact O-N 3.02Å; E357-L359 PolarHBondContact O-N 2.91Å; E357-L359 VanDerWaalsContact O-N 3.16Å; E357-D360 PolarHBondContact O-N 2.86Å; E357-L361 HydrophobicContact CB-CD1 4.17Å; E357-L361 PolarHBondContact O-N 2.73Å |
| 358 | A | 68.1 | Low | 75.7 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.1 | -18.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P354 P355 D360 G362 | P354-A358 HydrophobicContact CB-CB 4.2Å; P355-A358 HydrophobicContact CG-CB 4.3Å; P355-A358 WeakPolarHBondContact O-CB 3.34Å; P355-A358 PolarHBondContact O-N 3.22Å; A358-D360 PolarHBondContact O-N 2.97Å; A358-G362 CarbonylContact O-C 3.3Å; A358-G362 VanDerWaalsContact O-CA 3.31Å; A358-G362 WeakPolarHBondContact O-CA 3.5Å; A358-G362 PolarHBondContact O-N 3.13Å; A358-G362 VanDerWaalsContact O-N 3.14Å |
| 359 | L | 71 | Confident | 75.7 | Confident | 87 Ų | 87 | 37 Ų | 37 | 46% | 0.455 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.8 | -17 | 170.5 | -63 | 174.4 | 0 | 0 | 0 | 113.7 | V356 E357 A580 | V356-L359 WeakPolarHBondContact O-CB 3.4Å; E357-L359 PolarHBondContact O-N 2.91Å; E357-L359 VanDerWaalsContact O-N 3.16Å; L359-A580 HydrophobicContact CD1-CB 3.93Å; L359-A580 HydrophobicContact CD2-CB 3.94Å; L359-A580 HydrophobicContact CG-CB 3.81Å |
| 360 | D | 73.6 | Confident | 76 | Confident | 24 Ų | 24 | 35.6 Ų | 35.6 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -117.5 | -31.4 | -176.1 | 166.9 | 61.1 | 0 | 0 | 0 | 112.2 | L114 S115 K162 K205 E357 A358 | L114-D360 WeakPolarHBondContact CA-OD2 3.37Å; L114-D360 WeakPolarHBondContact CB-OD1 3.19Å; L114-D360 HydrophobicContact CD2-CB 4.29Å; L114-D360 HydrophobicContact CG-CB 4.36Å; S115-D360 VanDerWaalsContact N-CG 3.33Å; S115-D360 PolarHBondContact N-OD1 3.42Å; S115-D360 VanDerWaalsContact N-OD1 3.1Å; S115-D360 PolarHBondContact N-OD2 3.41Å; S115-D360 PolarHBondContact OG-OD1 3.34Å; S115-D360 PolarHBondContact OG-OD2 2.99Å; K162-D360 IonicContact NZ-OD2 3.49Å; K205-D360 VanDerWaalsContact CD-O 3.3Å; K205-D360 WeakPolarHBondContact CD-O 3.46Å; E357-D360 PolarHBondContact O-N 2.86Å; A358-D360 PolarHBondContact O-N 2.97Å |
| 361 | L | 76.6 | Confident | 76.3 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -100.3 | -3.2 | -179.3 | -55.8 | 176.5 | 0 | 0 | 0 | 113.9 | K162 Y203 S204 K205 E357 Y471 | K162-L361 HydrophobicContact CD-CD1 4.15Å; K162-L361 HydrophobicContact CD-CD2 4.36Å; K162-L361 HydrophobicContact CG-CD1 4.22Å; K162-L361 HydrophobicContact CG-CD2 3.76Å; Y203-L361 HydrophobicContact CD1-CB 4.02Å; Y203-L361 HydrophobicContact CD1-CD1 3.78Å; Y203-L361 HydrophobicContact CD1-CD2 4.02Å; Y203-L361 HydrophobicContact CD1-CG 4.14Å; Y203-L361 HydrophobicContact CE1-CD1 3.8Å; Y203-L361 HydrophobicContact CE1-CD2 4.37Å; Y203-L361 HydrophobicContact CG-CD2 4.32Å; S204-L361 PolarHBondContact N-O 2.85Å; K205-L361 VanDerWaalsContact CB-O 3.28Å; K205-L361 WeakPolarHBondContact CB-O 3.38Å; K205-L361 PolarHBondContact N-O 2.92Å; E357-L361 HydrophobicContact CB-CD1 4.17Å; E357-L361 PolarHBondContact O-N 2.73Å; L361-Y471 HydrophobicContact CD1-CD2 4.32Å; L361-Y471 HydrophobicContact CD1-CE2 3.66Å |
| 362 | G | 74.3 | Confident | 76.5 | Confident | 24 Ų | 24 | 37 Ų | 37 | 25% | 0.247 | 20% | 0.203 | C | C | . | . | trans | 87.7 | 156.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A358 | A358-G362 CarbonylContact O-C 3.3Å; A358-G362 VanDerWaalsContact O-CA 3.31Å; A358-G362 WeakPolarHBondContact O-CA 3.5Å; A358-G362 PolarHBondContact O-N 3.13Å; A358-G362 VanDerWaalsContact O-N 3.14Å | ||
| 363 | Y | 76.4 | Confident | 76.9 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | trans | -124.8 | 154.7 | 174.4 | 50.7 | -86.1 | 0 | 0 | 0 | 109.5 | P365 H583 | Y363-P365 WeakPolarHBondContact O-CD 3.46Å; Y363-H583 HydrophobicContact CE2-CB 4.33Å; Y363-H583 AromaticContact CZ-ND1 3.96Å; Y363-H583 PolarHBondContact OH-ND1 2.76Å | ||
| 364 | T | 78.4 | Confident | 77.6 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 9% | 0.092 | 22% | 0.221 | C | C | . | . | trans | -55.2 | 124.4 | 165.4 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | R246 F368 Y369 | R246-T364 HydrophobicContact CB-CG2 3.65Å; R246-T364 WeakPolarHBondContact CD-OG1 3.31Å; T364-F368 HydrophobicContact CG2-CB 3.85Å; T364-Y369 HydrophobicContact CG2-CD1 4.23Å; T364-Y369 HydrophobicContact CG2-CE1 4.34Å; T364-Y369 WeakPolarHBondContact O-CE1 3.41Å; T364-Y369 PolarHBondContact O-OH 3.46Å | ||
| 365 | P | 79.1 | Confident | 78.6 | Confident | 32 Ų | 32 | 40 Ų | 40 | 21% | 0.208 | 22% | 0.217 | C | C | . | . | trans | -53.6 | 142.9 | 177.4 | -26.2 | 32.4 | 0 | 0 | 0 | 111.5 | Y363 E367 F368 | Y363-P365 WeakPolarHBondContact O-CD 3.46Å; P365-E367 PolarHBondContact O-N 3.33Å; P365-F368 HydrophobicContact CB-CD2 3.74Å; P365-F368 HydrophobicContact CB-CE2 4.18Å; P365-F368 HydrophobicContact CG-CD2 3.8Å; P365-F368 HydrophobicContact CG-CE2 4.09Å; P365-F368 PolarHBondContact O-N 2.86Å | ||
| 366 | P | 77 | Confident | 79.9 | Confident | 62 Ų | 62 | 39.1 Ų | 39.1 | 40% | 0.403 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -65.2 | -15.9 | -175 | 27.5 | -35.9 | 0 | 0 | 0 | 113.7 | F368 Y369 | P366-F368 PolarHBondContact O-N 3.22Å; P366-Y369 VanDerWaalsContact CA-CE2 3.49Å; P366-Y369 HydrophobicContact CB-CD2 3.97Å; P366-Y369 HydrophobicContact CB-CE2 3.56Å |
| 367 | E | 76.4 | Confident | 81.2 | Confident | 124 Ų | 124 | 40.1 Ų | 40.1 | 58% | 0.579 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -76.1 | 2.8 | 171.1 | -44.2 | 171.6 | -164.4 | 0 | 0 | 113.9 | P296 R298 P365 | P296-E367 WeakPolarHBondContact CG-O 3.48Å; R298-E367 IonicContact CZ-OE2 2.73Å; R298-E367 IonicContact NH1-OE2 3.47Å; R298-E367 PolarHBondContact NH2-O 3.45Å; R298-E367 IonicContact NH2-OE2 2.71Å; R298-E367 PolarHBondContact NH2-OE2 3.03Å; P365-E367 PolarHBondContact O-N 3.33Å |
| 368 | F | 80.6 | Confident | 82.5 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 15% | 0.154 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -127.7 | 10.9 | 178 | -59.5 | -55.6 | 0 | 0 | 0 | 113.2 | G247 P296 R347 T364 P365 P366 | G247-F368 WeakPolarHBondContact O-CE1 3.35Å; G247-F368 WeakPolarHBondContact O-CZ 3.35Å; P296-F368 HydrophobicContact CG-CD1 4.46Å; R347-F368 PolarHBondContact NH2-O 3.11Å; T364-F368 HydrophobicContact CG2-CB 3.85Å; P365-F368 HydrophobicContact CB-CD2 3.74Å; P365-F368 HydrophobicContact CB-CE2 4.18Å; P365-F368 HydrophobicContact CG-CD2 3.8Å; P365-F368 HydrophobicContact CG-CE2 4.09Å; P365-F368 PolarHBondContact O-N 2.86Å; P366-F368 PolarHBondContact O-N 3.22Å |
| 369 | Y | 86.5 | Confident | 83.8 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 7% | 0.071 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -72.1 | 147.9 | 172.3 | -64 | -18.3 | 0 | 0 | 0 | 111.4 | E351 T364 P366 V584 | E351-Y369 HydrophobicContact CB-CD1 3.64Å; E351-Y369 HydrophobicContact CB-CE1 3.85Å; E351-Y369 HydrophobicContact CB-CG 4.02Å; E351-Y369 HydrophobicContact CG-CD1 3.39Å; E351-Y369 HydrophobicContact CG-CE1 3.71Å; E351-Y369 HydrophobicContact CG-CG 4.16Å; E351-Y369 VanDerWaalsContact OE2-CA 3.29Å; E351-Y369 WeakPolarHBondContact OE2-CA 3.32Å; T364-Y369 HydrophobicContact CG2-CD1 4.23Å; T364-Y369 HydrophobicContact CG2-CE1 4.34Å; T364-Y369 WeakPolarHBondContact O-CE1 3.41Å; T364-Y369 PolarHBondContact O-OH 3.46Å; P366-Y369 VanDerWaalsContact CA-CE2 3.49Å; P366-Y369 HydrophobicContact CB-CD2 3.97Å; P366-Y369 HydrophobicContact CB-CE2 3.56Å; Y369-V584 HydrophobicContact CD2-CG1 4.03Å; Y369-V584 HydrophobicContact CE2-CB 4.14Å; Y369-V584 HydrophobicContact CE2-CG1 3.78Å; Y369-V584 HydrophobicContact CE2-CG2 3.89Å |
| 370 | L | 87.8 | Confident | 85 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 135.7 | 178.1 | -68.7 | 174.7 | 0 | 0 | 0 | 111.7 | I294 L344 R347 L348 E351 V375 H592 | I294-L370 HydrophobicContact CB-CD2 4.19Å; I294-L370 HydrophobicContact CG2-CD2 3.61Å; L344-L370 HydrophobicContact CD1-CD1 3.31Å; R347-L370 HydrophobicContact CG-CD1 4.27Å; L348-L370 HydrophobicContact CD2-CB 4.21Å; L348-L370 HydrophobicContact CD2-CD1 4.24Å; E351-L370 PolarHBondContact OE2-N 2.9Å; L370-V375 HydrophobicContact CB-CG2 4.21Å; L370-V375 HydrophobicContact CD1-CG2 4.35Å; L370-H592 PolarHBondContact O-NE2 2.96Å |
| 371 | S | 87.1 | Confident | 86 | Confident | 31 Ų | 31 | 38.3 Ų | 38.3 | 22% | 0.217 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 168.8 | 173.5 | 98.2 | 0 | 0 | 0 | 0 | 111.5 | E373 Q374 H592 | S371-E373 WeakPolarHBondContact CB-OE2 3.46Å; S371-E373 PolarHBondContact OG-N 2.63Å; S371-E373 VanDerWaalsContact OG-N 3.1Å; S371-E373 PolarHBondContact OG-OE2 3.07Å; S371-Q374 PolarHBondContact OG-N 2.89Å; S371-H592 PolarHBondContact O-CE1 2.92Å; S371-H592 VanDerWaalsContact O-CE1 3.27Å |
| 372 | V | 88.3 | Confident | 87 | Confident | 35 Ų | 35 | 38.2 Ų | 38.2 | 21% | 0.212 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.7 | -40.5 | 171.9 | 170.6 | 0 | 0 | 0 | 0 | 110.1 | Q374 V375 D376 R413 S591 A595 | V372-Q374 PolarHBondContact O-N 3.29Å; V372-V375 PolarHBondContact O-N 2.92Å; V372-D376 PolarHBondContact O-N 3.17Å; V372-R413 PolarHBondContact O-NH2 2.93Å; V372-S591 WeakPolarHBondContact CG2-OG 3.36Å; V372-A595 HydrophobicContact CG1-CB 4.43Å |
| 373 | E | 88.7 | Confident | 88 | Confident | 124 Ų | 124 | 37.7 Ų | 37.7 | 58% | 0.579 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -64.2 | -36.1 | 179.1 | -52.8 | 87.8 | 176.2 | 0 | 0 | 112.9 | S371 D376 Q377 | S371-E373 WeakPolarHBondContact CB-OE2 3.46Å; S371-E373 PolarHBondContact OG-N 2.63Å; S371-E373 VanDerWaalsContact OG-N 3.1Å; S371-E373 PolarHBondContact OG-OE2 3.07Å; E373-D376 WeakPolarHBondContact O-CB 3.3Å; E373-D376 PolarHBondContact O-N 3.37Å; E373-Q377 VanDerWaalsContact O-CG 3.3Å; E373-Q377 WeakPolarHBondContact O-CG 3.46Å; E373-Q377 PolarHBondContact O-N 2.88Å |
| 374 | Q | 90.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.2 | -39.1 | 178.5 | -70.1 | -175.8 | -32.3 | 0 | 0 | 112.3 | G295 D297 L306 S371 V372 D376 Q377 I378 | G295-Q374 PolarHBondContact O-NE2 3.3Å; D297-Q374 PolarHBondContact OD2-NE2 3.41Å; L306-Q374 HydrophobicContact CD1-CB 4.32Å; L306-Q374 HydrophobicContact CD1-CG 4.33Å; S371-Q374 PolarHBondContact OG-N 2.89Å; V372-Q374 PolarHBondContact O-N 3.29Å; Q374-D376 VanDerWaalsContact C-N 3.33Å; Q374-Q377 PolarHBondContact O-N 2.86Å; Q374-I378 WeakPolarHBondContact O-CD1 3.24Å; Q374-I378 VanDerWaalsContact O-CG1 3.26Å; Q374-I378 WeakPolarHBondContact O-CG1 3.37Å; Q374-I378 PolarHBondContact O-N 3.01Å |
| 375 | V | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.3 | -35.7 | 172.5 | 176.9 | 0 | 0 | 0 | 0 | 111 | L344 L348 L370 V372 I378 V379 L412 R413 | L344-V375 HydrophobicContact CD1-CG2 4.47Å; L348-V375 HydrophobicContact CD1-CG1 4.4Å; L348-V375 HydrophobicContact CD1-CG2 4.07Å; L348-V375 HydrophobicContact CD2-CG2 4.11Å; L370-V375 HydrophobicContact CB-CG2 4.21Å; L370-V375 HydrophobicContact CD1-CG2 4.35Å; V372-V375 PolarHBondContact O-N 2.92Å; V375-I378 PolarHBondContact O-N 2.93Å; V375-V379 WeakPolarHBondContact O-CG2 3.46Å; V375-V379 PolarHBondContact O-N 3.39Å; V375-V379 VanDerWaalsContact O-N 3.08Å; V375-L412 HydrophobicContact CG1-CD2 4.33Å; V375-R413 HydrophobicContact CG1-CG 4.46Å |
| 376 | D | 93.5 | Very high | 90.4 | Very high | 27 Ų | 27 | 34.4 Ų | 34.4 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -49.4 | 171.8 | -78.6 | 12 | 0 | 0 | 0 | 111.2 | V372 E373 Q374 I378 V379 D380 R413 R416 | V372-D376 PolarHBondContact O-N 3.17Å; E373-D376 WeakPolarHBondContact O-CB 3.3Å; E373-D376 PolarHBondContact O-N 3.37Å; Q374-D376 VanDerWaalsContact C-N 3.33Å; D376-I378 PolarHBondContact O-N 3.22Å; D376-V379 PolarHBondContact O-N 3.15Å; D376-V379 VanDerWaalsContact O-N 3.16Å; D376-D380 WeakPolarHBondContact O-CB 3.45Å; D376-D380 PolarHBondContact O-N 2.78Å; D376-R413 WeakPolarHBondContact OD1-CD 3.29Å; D376-R413 IonicContact OD1-CZ 3.71Å; D376-R413 IonicContact OD1-NE 3.51Å; D376-R413 PolarHBondContact OD1-NE 3.07Å; D376-R413 IonicContact OD1-NH2 3.37Å; D376-R416 IonicContact OD1-NE 3.87Å; D376-R416 IonicContact OD2-CZ 2.79Å; D376-R416 VanDerWaalsContact OD2-CZ 3.24Å; D376-R416 IonicContact OD2-NE 3.22Å; D376-R416 PolarHBondContact OD2-NE 3.45Å; D376-R416 IonicContact OD2-NH2 3.25Å; D376-R416 PolarHBondContact OD2-NH2 3.28Å |
| 377 | Q | 92.8 | Very high | 91.2 | Very high | 86 Ų | 86 | 31.6 Ų | 31.6 | 40% | 0.402 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.8 | -44.1 | 177 | -74.2 | 169.5 | 11.9 | 0 | 0 | 112.2 | L306 E373 Q374 V379 D380 L381 | L306-Q377 HydrophobicContact CD1-CB 4.35Å; L306-Q377 VanDerWaalsContact CD1-OE1 3.22Å; E373-Q377 VanDerWaalsContact O-CG 3.3Å; E373-Q377 WeakPolarHBondContact O-CG 3.46Å; E373-Q377 PolarHBondContact O-N 2.88Å; Q374-Q377 PolarHBondContact O-N 2.86Å; Q377-V379 VanDerWaalsContact C-N 3.34Å; Q377-V379 PolarHBondContact O-N 3.11Å; Q377-D380 PolarHBondContact O-N 3.29Å; Q377-L381 WeakPolarHBondContact O-CB 3.25Å; Q377-L381 WeakPolarHBondContact O-CG 3.26Å; Q377-L381 PolarHBondContact O-N 3.04Å |
| 378 | I | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60 | -44 | 176.3 | -68.1 | 161.6 | 0 | 0 | 0 | 111.2 | I294 L306 F340 L341 L344 Q374 V375 D376 L381 F382 | I294-I378 HydrophobicContact CD1-CD1 4.05Å; L306-I378 HydrophobicContact CD2-CD1 4.29Å; L306-I378 HydrophobicContact CD2-CG1 3.63Å; F340-I378 HydrophobicContact CD1-CG2 4.39Å; F340-I378 HydrophobicContact CE1-CD1 4.23Å; F340-I378 HydrophobicContact CE1-CG1 4.37Å; F340-I378 HydrophobicContact CE1-CG2 3.76Å; L341-I378 HydrophobicContact CD2-CG2 4.46Å; L344-I378 HydrophobicContact CD1-CD1 4.38Å; L344-I378 HydrophobicContact CD2-CD1 4.13Å; L344-I378 HydrophobicContact CD2-CG2 3.91Å; Q374-I378 WeakPolarHBondContact O-CD1 3.24Å; Q374-I378 VanDerWaalsContact O-CG1 3.26Å; Q374-I378 WeakPolarHBondContact O-CG1 3.37Å; Q374-I378 PolarHBondContact O-N 3.01Å; V375-I378 PolarHBondContact O-N 2.93Å; D376-I378 PolarHBondContact O-N 3.22Å; I378-L381 PolarHBondContact O-N 3.33Å; I378-F382 HydrophobicContact CG2-CD2 3.82Å; I378-F382 HydrophobicContact CG2-CE2 3.65Å; I378-F382 WeakPolarHBondContact O-CD2 3.37Å; I378-F382 PolarHBondContact O-N 3.24Å |
| 379 | V | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.4 | -42.7 | 178.3 | 172.9 | 0 | 0 | 0 | 0 | 111 | V375 D376 Q377 L381 F382 T383 L409 L412 R413 V417 | V375-V379 WeakPolarHBondContact O-CG2 3.46Å; V375-V379 PolarHBondContact O-N 3.39Å; V375-V379 VanDerWaalsContact O-N 3.08Å; D376-V379 PolarHBondContact O-N 3.15Å; D376-V379 VanDerWaalsContact O-N 3.16Å; Q377-V379 VanDerWaalsContact C-N 3.34Å; Q377-V379 PolarHBondContact O-N 3.11Å; V379-L381 VanDerWaalsContact C-N 3.27Å; V379-L381 PolarHBondContact O-N 3.49Å; V379-F382 PolarHBondContact O-N 3.33Å; V379-T383 WeakPolarHBondContact CG1-OG1 3.27Å; V379-T383 VanDerWaalsContact O-CB 3.23Å; V379-T383 WeakPolarHBondContact O-CB 3.42Å; V379-T383 PolarHBondContact O-N 2.75Å; V379-T383 PolarHBondContact O-OG1 3.25Å; V379-L409 HydrophobicContact CG1-CD2 4.4Å; V379-L409 HydrophobicContact CG2-CD2 4.15Å; V379-L412 HydrophobicContact CG2-CB 4.05Å; V379-L412 HydrophobicContact CG2-CD1 4.44Å; V379-R413 HydrophobicContact CB-CB 4.47Å; V379-R413 HydrophobicContact CB-CG 4.42Å; V379-R413 HydrophobicContact CG1-CB 4.19Å; V379-R413 HydrophobicContact CG2-CB 4.27Å; V379-R413 HydrophobicContact CG2-CG 4.02Å; V379-V417 HydrophobicContact CG1-CG2 3.4Å; V379-V417 VanDerWaalsContact CG1-CG2 3.4Å |
| 380 | D | 95.4 | Very high | 92.8 | Very high | 73 Ų | 73 | 29.2 Ų | 29.2 | 39% | 0.39 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.3 | -32.9 | 177.8 | -68.7 | -14.5 | 0 | 0 | 0 | 112.1 | D376 Q377 P384 R416 | D376-D380 WeakPolarHBondContact O-CB 3.45Å; D376-D380 PolarHBondContact O-N 2.78Å; Q377-D380 PolarHBondContact O-N 3.29Å; D380-P384 WeakPolarHBondContact O-CD 3.28Å; D380-R416 WeakPolarHBondContact OD1-CD 3.29Å; D380-R416 IonicContact OD1-CZ 2.82Å; D380-R416 IonicContact OD1-NE 3.65Å; D380-R416 IonicContact OD1-NH1 2.68Å; D380-R416 PolarHBondContact OD1-NH1 3.49Å; D380-R416 IonicContact OD2-CZ 3.72Å; D380-R416 IonicContact OD2-NH1 2.8Å; D380-R416 PolarHBondContact OD2-NH1 2.92Å; D380-R416 IonicContact OD2-NH2 3.61Å |
| 381 | L | 95.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 17% | 0.173 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.3 | -44.8 | 175.6 | -74.3 | 169.5 | 0 | 0 | 0 | 113 | E310 Q377 I378 V379 | E310-L381 HydrophobicContact CB-CD2 3.67Å; E310-L381 HydrophobicContact CG-CD2 3.6Å; Q377-L381 WeakPolarHBondContact O-CB 3.25Å; Q377-L381 WeakPolarHBondContact O-CG 3.26Å; Q377-L381 PolarHBondContact O-N 3.04Å; I378-L381 PolarHBondContact O-N 3.33Å; V379-L381 VanDerWaalsContact C-N 3.27Å; V379-L381 PolarHBondContact O-N 3.49Å |
| 382 | F | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -85.3 | -29.1 | -176 | -63.7 | -41.2 | 0 | 0 | 0 | 114.2 | L309 L313 I337 F340 L341 I378 V379 I385 C386 L409 | L309-F382 HydrophobicContact CD2-CZ 4.16Å; L313-F382 HydrophobicContact CD1-CD1 4.17Å; L313-F382 HydrophobicContact CD1-CE1 3.88Å; L313-F382 HydrophobicContact CD2-CE1 4.49Å; I337-F382 HydrophobicContact CD1-CD1 3.55Å; I337-F382 HydrophobicContact CD1-CE1 3.85Å; I337-F382 HydrophobicContact CD1-CG 4.28Å; I337-F382 HydrophobicContact CG1-CD1 3.77Å; I337-F382 HydrophobicContact CG1-CE1 3.63Å; I337-F382 HydrophobicContact CG1-CG 4.42Å; I337-F382 HydrophobicContact CG1-CZ 4.16Å; I337-F382 HydrophobicContact CG2-CB 4.32Å; I337-F382 HydrophobicContact CG2-CD1 4.18Å; I337-F382 HydrophobicContact CG2-CD2 4.08Å; I337-F382 HydrophobicContact CG2-CE2 4.4Å; I337-F382 HydrophobicContact CG2-CG 3.96Å; F340-F382 AromaticContact CD1-CE2 3.64Å; F340-F382 HydrophobicContact CD1-CE2 3.64Å; F340-F382 HydrophobicContact CD1-CZ 4.05Å; F340-F382 AromaticContact CE1-CE2 3.9Å; F340-F382 HydrophobicContact CE1-CE2 3.9Å; F340-F382 HydrophobicContact CE1-CZ 4.28Å; F340-F382 HydrophobicContact CG-CE2 4.18Å; F340-F382 HydrophobicContact CG-CZ 4.19Å; L341-F382 HydrophobicContact CD2-CD2 4.17Å; L341-F382 HydrophobicContact CD2-CE2 4.4Å; I378-F382 HydrophobicContact CG2-CD2 3.82Å; I378-F382 HydrophobicContact CG2-CE2 3.65Å; I378-F382 WeakPolarHBondContact O-CD2 3.37Å; I378-F382 PolarHBondContact O-N 3.24Å; V379-F382 PolarHBondContact O-N 3.33Å; F382-I385 PolarHBondContact O-N 3Å; F382-C386 PolarHBondContact O-N 3.32Å; F382-C386 PolarHBondContact O-SG 3.12Å; F382-C386 VanDerWaalsContact O-SG 3.38Å; F382-L409 HydrophobicContact CB-CD1 4.34Å; F382-L409 HydrophobicContact CB-CD2 4.17Å |
| 383 | T | 96.1 | Very high | 93.1 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 7% | 0.074 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -53.1 | -53 | -177.9 | -63.1 | 0 | 0 | 0 | 0 | 113.9 | V379 I385 C386 L387 V417 | V379-T383 WeakPolarHBondContact CG1-OG1 3.27Å; V379-T383 VanDerWaalsContact O-CB 3.23Å; V379-T383 WeakPolarHBondContact O-CB 3.42Å; V379-T383 PolarHBondContact O-N 2.75Å; V379-T383 PolarHBondContact O-OG1 3.25Å; T383-I385 VanDerWaalsContact C-N 3.35Å; T383-I385 PolarHBondContact O-N 3.31Å; T383-C386 PolarHBondContact O-N 2.82Å; T383-L387 HydrophobicContact CG2-CD1 3.64Å; T383-L387 HydrophobicContact CG2-CG 4.2Å; T383-L387 WeakPolarHBondContact O-CB 3.26Å; T383-L387 WeakPolarHBondContact O-CG 3.48Å; T383-L387 PolarHBondContact O-N 3.21Å; T383-V417 HydrophobicContact CG2-CG1 4.26Å |
| 384 | P | 94.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 27.5 Ų | 27.5 | 34% | 0.338 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.7 | -37.2 | 179.2 | 25.7 | -33.8 | 0 | 0 | 0 | 112.1 | D380 C386 L387 D388 Y389 | D380-P384 WeakPolarHBondContact O-CD 3.28Å; P384-C386 VanDerWaalsContact C-N 3.35Å; P384-C386 PolarHBondContact O-N 2.87Å; P384-L387 PolarHBondContact O-N 3.07Å; P384-D388 WeakPolarHBondContact O-CB 3.34Å; P384-D388 PolarHBondContact O-N 3.1Å; P384-Y389 WeakPolarHBondContact O-CD2 3.37Å |
| 385 | I | 94.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 5% | 0.046 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -60.8 | -45.8 | 177.6 | -60 | 178 | 0 | 0 | 0 | 110.3 | L313 Y320 I337 F382 T383 Y389 F390 | L313-I385 HydrophobicContact CB-CD1 3.94Å; L313-I385 HydrophobicContact CD1-CD1 3.9Å; L313-I385 HydrophobicContact CD2-CD1 3.9Å; L313-I385 HydrophobicContact CG-CD1 4.12Å; Y320-I385 HydrophobicContact CD2-CG2 4.32Å; Y320-I385 HydrophobicContact CE2-CG1 4.5Å; Y320-I385 HydrophobicContact CE2-CG2 3.84Å; I337-I385 HydrophobicContact CD1-CG2 4.39Å; F382-I385 PolarHBondContact O-N 3Å; T383-I385 VanDerWaalsContact C-N 3.35Å; T383-I385 PolarHBondContact O-N 3.31Å; I385-Y389 WeakPolarHBondContact O-CB 3.3Å; I385-Y389 PolarHBondContact O-N 3.36Å; I385-F390 HydrophobicContact CG2-CD1 3.91Å; I385-F390 HydrophobicContact CG2-CD2 4.47Å; I385-F390 HydrophobicContact CG2-CE1 3.44Å; I385-F390 VanDerWaalsContact CG2-CE1 3.44Å; I385-F390 HydrophobicContact CG2-CE2 4.09Å; I385-F390 HydrophobicContact CG2-CG 4.4Å; I385-F390 HydrophobicContact CG2-CZ 3.55Å; I385-F390 PolarHBondContact O-N 3.17Å |
| 386 | C | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -67.6 | -49.9 | 176.9 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | F382 T383 P384 L391 T402 I405 I406 L409 | F382-C386 PolarHBondContact O-N 3.32Å; F382-C386 PolarHBondContact O-SG 3.12Å; F382-C386 VanDerWaalsContact O-SG 3.38Å; T383-C386 PolarHBondContact O-N 2.82Å; P384-C386 VanDerWaalsContact C-N 3.35Å; P384-C386 PolarHBondContact O-N 2.87Å; C386-L391 WeakPolarHBondContact O-CG 3.37Å; C386-L391 PolarHBondContact O-N 3.2Å; C386-T402 HydrophobicContact CB-CG2 3.96Å; C386-I405 WeakPolarHBondContact SG-CG2 3.35Å; C386-I406 HydrophobicContact CB-CD1 4.4Å; C386-I406 HydrophobicContact CB-CG1 4.02Å; C386-L409 HydrophobicContact CB-CD1 4.41Å |
| 387 | L | 93.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -75.5 | -38.4 | -171.5 | -68 | -175.3 | 0 | 0 | 0 | 114.2 | T383 P384 L391 Y392 I406 C420 L421 | T383-L387 HydrophobicContact CG2-CD1 3.64Å; T383-L387 HydrophobicContact CG2-CG 4.2Å; T383-L387 WeakPolarHBondContact O-CB 3.26Å; T383-L387 WeakPolarHBondContact O-CG 3.48Å; T383-L387 PolarHBondContact O-N 3.21Å; P384-L387 PolarHBondContact O-N 3.07Å; L387-L391 HydrophobicContact CD2-CD1 4.03Å; L387-Y392 WeakPolarHBondContact O-CE2 3.38Å; L387-I406 HydrophobicContact CD2-CD1 3.81Å; L387-I406 HydrophobicContact CD2-CG1 4.36Å; L387-C420 HydrophobicContact CD1-CB 3.67Å; L387-L421 HydrophobicContact CD2-CB 4.46Å; L387-L421 HydrophobicContact CD2-CD1 3.78Å |
| 388 | D | 91.5 | Very high | 91.7 | Very high | 72 Ų | 72 | 29.8 Ų | 29.8 | 39% | 0.385 | 16% | 0.159 | S | C | . | . | I | π-helix | trans | -107 | -17 | -169 | -57.3 | -40 | 0 | 0 | 0 | 113.8 | P384 Y392 N424 | P384-D388 WeakPolarHBondContact O-CB 3.34Å; P384-D388 PolarHBondContact O-N 3.1Å; D388-Y392 WeakPolarHBondContact O-CD2 3.29Å; D388-N424 PolarHBondContact OD1-ND2 3.13Å |
| 389 | Y | 92.1 | Very high | 91.4 | Very high | 52 Ų | 52 | 29.9 Ų | 29.9 | 20% | 0.204 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -114 | -67.9 | 177.7 | -56.2 | -115.9 | 0 | 0 | 0 | 110.3 | E317 Y320 H321 P322 P384 I385 L391 Y392 S393 | E317-Y389 HydrophobicContact CG-CE1 3.69Å; E317-Y389 VanDerWaalsContact OE1-CE1 3.25Å; E317-Y389 WeakPolarHBondContact OE1-CE1 3.29Å; E317-Y389 PolarHBondContact OE1-OH 3.42Å; Y320-Y389 HydrophobicContact CD2-CD1 4.08Å; Y320-Y389 HydrophobicContact CD2-CG 4.35Å; Y320-Y389 AromaticContact CE2-CD1 3.74Å; Y320-Y389 HydrophobicContact CE2-CD1 3.74Å; Y320-Y389 HydrophobicContact CE2-CE1 4.23Å; Y320-Y389 HydrophobicContact CE2-CG 4Å; H321-Y389 HydrophobicContact CB-CD1 4.34Å; H321-Y389 AromaticContact CD2-CD1 3.79Å; H321-Y389 AromaticContact CD2-CE1 3.83Å; P322-Y389 WeakPolarHBondContact CG-O 3.31Å; P384-Y389 WeakPolarHBondContact O-CD2 3.37Å; I385-Y389 WeakPolarHBondContact O-CB 3.3Å; I385-Y389 PolarHBondContact O-N 3.36Å; Y389-L391 PolarHBondContact O-N 3.27Å; Y389-Y392 CarbonylContact O-C 3.59Å; Y389-Y392 WeakPolarHBondContact O-CA 3.39Å; Y389-Y392 PolarHBondContact O-N 3.18Å; Y389-S393 PolarHBondContact O-N 3.43Å |
| 390 | F | 92.8 | Very high | 91 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -65.4 | -40 | -168.4 | -66.7 | -0.9 | 0 | 0 | 0 | 113.9 | Y320 L333 I337 I385 Y392 S393 V398 T402 | Y320-F390 HydrophobicContact CD2-CD1 4.28Å; Y320-F390 AromaticContact CD2-CE1 3.74Å; Y320-F390 HydrophobicContact CD2-CE1 3.74Å; Y320-F390 HydrophobicContact CE2-CE1 4.45Å; Y320-F390 AromaticContact CG-CE1 3.92Å; Y320-F390 HydrophobicContact CG-CE1 3.92Å; L333-F390 HydrophobicContact CB-CZ 4.26Å; L333-F390 HydrophobicContact CD2-CE1 4.31Å; L333-F390 HydrophobicContact CD2-CZ 3.94Å; L333-F390 HydrophobicContact CG-CZ 3.95Å; I337-F390 HydrophobicContact CD1-CE2 3.9Å; I337-F390 HydrophobicContact CD1-CZ 4.07Å; I385-F390 HydrophobicContact CG2-CD1 3.91Å; I385-F390 HydrophobicContact CG2-CD2 4.47Å; I385-F390 HydrophobicContact CG2-CE1 3.44Å; I385-F390 VanDerWaalsContact CG2-CE1 3.44Å; I385-F390 HydrophobicContact CG2-CE2 4.09Å; I385-F390 HydrophobicContact CG2-CG 4.4Å; I385-F390 HydrophobicContact CG2-CZ 3.55Å; I385-F390 PolarHBondContact O-N 3.17Å; F390-Y392 PolarHBondContact O-N 2.61Å; F390-S393 WeakPolarHBondContact O-CB 3.42Å; F390-S393 PolarHBondContact O-N 3.3Å; F390-V398 HydrophobicContact CB-CG1 4.11Å; F390-V398 HydrophobicContact CG-CG1 4.17Å; F390-T402 HydrophobicContact CB-CG2 3.84Å; F390-T402 WeakPolarHBondContact CB-OG1 3.28Å; F390-T402 WeakPolarHBondContact CD2-OG1 3.25Å |
| 391 | L | 90.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -56.8 | -20.8 | 173 | -79.8 | -175 | 0 | 0 | 0 | 113 | C386 L387 Y389 T402 V403 I406 R440 P441 A444 | C386-L391 WeakPolarHBondContact O-CG 3.37Å; C386-L391 PolarHBondContact O-N 3.2Å; L387-L391 HydrophobicContact CD2-CD1 4.03Å; Y389-L391 PolarHBondContact O-N 3.27Å; L391-T402 HydrophobicContact CD2-CG2 3.95Å; L391-T402 HydrophobicContact CG-CG2 4.05Å; L391-V403 HydrophobicContact CD2-CG2 4.33Å; L391-I406 HydrophobicContact CD1-CD1 3.89Å; L391-I406 HydrophobicContact CD2-CD1 3.97Å; L391-I406 HydrophobicContact CG-CD1 3.94Å; L391-R440 WeakPolarHBondContact O-CD 3.44Å; L391-R440 PolarHBondContact O-NH1 3.09Å; L391-P441 HydrophobicContact CD1-CG 4.25Å; L391-A444 HydrophobicContact CD1-CB 4.39Å; L391-A444 HydrophobicContact CD2-CB 4.24Å |
| 392 | Y | 90.6 | Very high | 90.6 | Very high | 26 Ų | 26 | 27.5 Ų | 27.5 | 10% | 0.102 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -107.8 | 11.5 | 178.1 | -51.3 | -61.7 | 0 | 0 | 0 | 113.5 | P322 L387 D388 Y389 F390 R437 P441 | P322-Y392 WeakPolarHBondContact CB-O 3.3Å; L387-Y392 WeakPolarHBondContact O-CE2 3.38Å; D388-Y392 WeakPolarHBondContact O-CD2 3.29Å; Y389-Y392 CarbonylContact O-C 3.59Å; Y389-Y392 WeakPolarHBondContact O-CA 3.39Å; Y389-Y392 PolarHBondContact O-N 3.18Å; F390-Y392 PolarHBondContact O-N 2.61Å; Y392-R437 HydrophobicContact CE1-CG 4.49Å; Y392-P441 HydrophobicContact CE1-CG 4.42Å; Y392-P441 VanDerWaalsContact OH-CG 3.27Å; Y392-P441 WeakPolarHBondContact OH-CG 3.4Å |
| 393 | S | 88.2 | Confident | 90.2 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | trans | -56.3 | 147.4 | 172 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | Y389 F390 S395 R440 | Y389-S393 PolarHBondContact O-N 3.43Å; F390-S393 WeakPolarHBondContact O-CB 3.42Å; F390-S393 PolarHBondContact O-N 3.3Å; S393-S395 VanDerWaalsContact C-N 3.3Å; S393-S395 PolarHBondContact OG-N 2.97Å; S393-R440 PolarHBondContact O-NH1 3.28Å; S393-R440 PolarHBondContact O-NH2 3.21Å; S393-R440 VanDerWaalsContact O-NH2 3.15Å | ||
| 394 | K | 85.9 | Confident | 89.8 | Confident | 121 Ų | 121 | 28.9 Ų | 28.9 | 53% | 0.526 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -78.6 | -12.5 | 174 | -59.2 | 174.7 | -168.3 | 143.6 | 0 | 113.5 | P322 S323 S324 F327 | P322-K394 WeakPolarHBondContact O-CE 3.24Å; P322-K394 PolarHBondContact O-NZ 2.71Å; S323-K394 PolarHBondContact O-NZ 3.12Å; S324-K394 PolarHBondContact O-NZ 3.17Å; F327-K394 HydrophobicContact CE1-CB 3.85Å; F327-K394 HydrophobicContact CE1-CD 3.99Å; F327-K394 HydrophobicContact CE1-CG 4.41Å; F327-K394 HydrophobicContact CZ-CB 4.22Å; F327-K394 HydrophobicContact CZ-CD 4.09Å |
| 395 | S | 84.5 | Confident | 89.7 | Confident | 28 Ų | 28 | 26.4 Ų | 26.4 | 20% | 0.196 | 14% | 0.137 | C | C | . | . | trans | -100.5 | 117.2 | 176.9 | 172 | 0 | 0 | 0 | 0 | 109.3 | S393 A397 V398 V399 | S393-S395 VanDerWaalsContact C-N 3.3Å; S393-S395 PolarHBondContact OG-N 2.97Å; S395-A397 VanDerWaalsContact C-N 3.26Å; S395-A397 PolarHBondContact O-N 3.46Å; S395-V398 WeakPolarHBondContact O-CB 3.06Å; S395-V398 PolarHBondContact O-N 3.46Å; S395-V398 VanDerWaalsContact O-N 3.09Å; S395-V399 PolarHBondContact O-N 3.45Å | ||
| 396 | D | 84.9 | Confident | 89.7 | Confident | 94 Ų | 94 | 26 Ų | 26 | 50% | 0.503 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -69.8 | -23.5 | -177.7 | -61.6 | -55.9 | 0 | 0 | 0 | 112.5 | V398 V399 N400 R440 | D396-V398 VanDerWaalsContact C-N 3.26Å; D396-V398 PolarHBondContact O-N 2.84Å; D396-V399 CarbonylContact O-C 3.53Å; D396-V399 WeakPolarHBondContact O-CA 3.24Å; D396-V399 WeakPolarHBondContact O-CB 3.45Å; D396-V399 PolarHBondContact O-N 2.91Å; D396-N400 PolarHBondContact O-N 3.39Å; D396-N400 PolarHBondContact O-OD1 2.94Å; D396-R440 IonicContact OD1-CZ 2.75Å; D396-R440 IonicContact OD1-NH2 2.6Å; D396-R440 PolarHBondContact OD1-NH2 3.25Å |
| 397 | A | 84.7 | Confident | 89.4 | Confident | 37 Ų | 37 | 26.6 Ų | 26.6 | 31% | 0.306 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -58.3 | -36.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S395 T401 | S395-A397 VanDerWaalsContact C-N 3.26Å; S395-A397 PolarHBondContact O-N 3.46Å; A397-T401 WeakPolarHBondContact O-CB 3.34Å; A397-T401 PolarHBondContact O-N 3.45Å; A397-T401 VanDerWaalsContact O-N 3.1Å; A397-T401 PolarHBondContact O-OG1 3.37Å |
| 398 | V | 88.8 | Confident | 89.3 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.8 | -37.2 | 173.3 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | K331 F390 S395 D396 T402 | K331-V398 HydrophobicContact CB-CG2 4.26Å; F390-V398 HydrophobicContact CB-CG1 4.11Å; F390-V398 HydrophobicContact CG-CG1 4.17Å; S395-V398 WeakPolarHBondContact O-CB 3.06Å; S395-V398 PolarHBondContact O-N 3.46Å; S395-V398 VanDerWaalsContact O-N 3.09Å; D396-V398 VanDerWaalsContact C-N 3.26Å; D396-V398 PolarHBondContact O-N 2.84Å; V398-T402 VanDerWaalsContact O-CB 3.28Å; V398-T402 WeakPolarHBondContact O-CB 3.42Å; V398-T402 PolarHBondContact O-N 2.96Å; V398-T402 PolarHBondContact O-OG1 3.46Å |
| 399 | V | 88.3 | Confident | 89.4 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.9 | -48.1 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | S395 D396 T401 T402 V403 R440 | S395-V399 PolarHBondContact O-N 3.45Å; D396-V399 CarbonylContact O-C 3.53Å; D396-V399 WeakPolarHBondContact O-CA 3.24Å; D396-V399 WeakPolarHBondContact O-CB 3.45Å; D396-V399 PolarHBondContact O-N 2.91Å; V399-T401 PolarHBondContact O-N 3.39Å; V399-T402 CarbonylContact O-C 3.36Å; V399-T402 WeakPolarHBondContact O-CA 3.38Å; V399-T402 WeakPolarHBondContact O-CB 3.28Å; V399-T402 PolarHBondContact O-N 3.03Å; V399-V403 HydrophobicContact CG1-CG2 4.43Å; V399-V403 WeakPolarHBondContact O-CG2 3.49Å; V399-V403 PolarHBondContact O-N 2.84Å; V399-R440 HydrophobicContact CG1-CG 4.5Å |
| 400 | N | 87.8 | Confident | 89.3 | Confident | 34 Ų | 34 | 21.3 Ų | 21.3 | 18% | 0.182 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 178.4 | -70.2 | 15.8 | 0 | 0 | 0 | 110.8 | D396 T402 V403 K404 | D396-N400 PolarHBondContact O-N 3.39Å; D396-N400 PolarHBondContact O-OD1 2.94Å; N400-T402 VanDerWaalsContact C-N 3.26Å; N400-T402 PolarHBondContact O-N 2.81Å; N400-V403 PolarHBondContact O-N 3.16Å; N400-V403 VanDerWaalsContact O-N 3.16Å; N400-K404 WeakPolarHBondContact O-CG 3.29Å; N400-K404 PolarHBondContact O-N 3.28Å |
| 401 | T | 88.9 | Confident | 89 | Confident | 20.5 Ų | 20.5 | 23.5 Ų | 23.5 | 13% | 0.126 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -38.7 | 171.7 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | S334 L338 A397 V399 V403 K404 I405 | S334-T401 WeakPolarHBondContact OG-CG2 3.49Å; L338-T401 HydrophobicContact CB-CG2 4.29Å; L338-T401 HydrophobicContact CD2-CG2 4.11Å; A397-T401 WeakPolarHBondContact O-CB 3.34Å; A397-T401 PolarHBondContact O-N 3.45Å; A397-T401 VanDerWaalsContact O-N 3.1Å; A397-T401 PolarHBondContact O-OG1 3.37Å; V399-T401 PolarHBondContact O-N 3.39Å; T401-V403 PolarHBondContact O-N 3.45Å; T401-K404 WeakPolarHBondContact O-CB 3.42Å; T401-K404 PolarHBondContact O-N 3.28Å; T401-K404 VanDerWaalsContact O-N 3.13Å; T401-I405 HydrophobicContact CG2-CD1 4.13Å; T401-I405 WeakPolarHBondContact O-CD1 3.3Å; T401-I405 VanDerWaalsContact O-CG1 3.3Å; T401-I405 WeakPolarHBondContact O-CG1 3.25Å; T401-I405 PolarHBondContact O-N 3.15Å |
| 402 | T | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.3 | -37 | 177.8 | -58.9 | 0 | 0 | 0 | 0 | 113 | C386 F390 L391 V398 V399 N400 K404 I405 I406 | C386-T402 HydrophobicContact CB-CG2 3.96Å; F390-T402 HydrophobicContact CB-CG2 3.84Å; F390-T402 WeakPolarHBondContact CB-OG1 3.28Å; F390-T402 WeakPolarHBondContact CD2-OG1 3.25Å; L391-T402 HydrophobicContact CD2-CG2 3.95Å; L391-T402 HydrophobicContact CG-CG2 4.05Å; V398-T402 VanDerWaalsContact O-CB 3.28Å; V398-T402 WeakPolarHBondContact O-CB 3.42Å; V398-T402 PolarHBondContact O-N 2.96Å; V398-T402 PolarHBondContact O-OG1 3.46Å; V399-T402 CarbonylContact O-C 3.36Å; V399-T402 WeakPolarHBondContact O-CA 3.38Å; V399-T402 WeakPolarHBondContact O-CB 3.28Å; V399-T402 PolarHBondContact O-N 3.03Å; N400-T402 VanDerWaalsContact C-N 3.26Å; N400-T402 PolarHBondContact O-N 2.81Å; T402-K404 PolarHBondContact O-N 3.16Å; T402-I405 WeakPolarHBondContact O-CB 3.44Å; T402-I405 PolarHBondContact O-N 3.16Å; T402-I405 VanDerWaalsContact O-N 3.12Å; T402-I406 HydrophobicContact CG2-CD1 3.79Å; T402-I406 HydrophobicContact CG2-CG1 4.24Å; T402-I406 WeakPolarHBondContact O-CG1 3.3Å; T402-I406 PolarHBondContact O-N 3.02Å |
| 403 | V | 89.3 | Confident | 89 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.7 | -25.2 | 173.8 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | L391 V399 N400 T401 P407 H443 A444 Y447 | L391-V403 HydrophobicContact CD2-CG2 4.33Å; V399-V403 HydrophobicContact CG1-CG2 4.43Å; V399-V403 WeakPolarHBondContact O-CG2 3.49Å; V399-V403 PolarHBondContact O-N 2.84Å; N400-V403 PolarHBondContact O-N 3.16Å; N400-V403 VanDerWaalsContact O-N 3.16Å; T401-V403 PolarHBondContact O-N 3.45Å; V403-P407 WeakPolarHBondContact O-CD 3.24Å; V403-P407 VanDerWaalsContact O-CG 3.24Å; V403-P407 WeakPolarHBondContact O-CG 3.48Å; V403-H443 HydrophobicContact CG2-CB 4.2Å; V403-A444 HydrophobicContact CG2-CB 4.41Å; V403-Y447 HydrophobicContact CG1-CD2 3.25Å; V403-Y447 HydrophobicContact CG1-CE2 3.51Å; V403-Y447 VanDerWaalsContact CG1-CE2 3.49Å; V403-Y447 HydrophobicContact CG1-CG 4.07Å |
| 404 | K | 87.8 | Confident | 89.1 | Confident | 39 Ų | 39 | 22.1 Ų | 22.1 | 17% | 0.17 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -76.9 | -31 | 167.8 | -62.3 | 172.3 | -175 | -172.1 | 0 | 112.8 | L338 N400 T401 T402 D490 D492 | L338-K404 HydrophobicContact CD1-CB 4.35Å; N400-K404 WeakPolarHBondContact O-CG 3.29Å; N400-K404 PolarHBondContact O-N 3.28Å; T401-K404 WeakPolarHBondContact O-CB 3.42Å; T401-K404 PolarHBondContact O-N 3.28Å; T401-K404 VanDerWaalsContact O-N 3.13Å; T402-K404 PolarHBondContact O-N 3.16Å; K404-D490 VanDerWaalsContact CD-OD1 3.27Å; K404-D490 WeakPolarHBondContact CD-OD1 3.4Å; K404-D490 WeakPolarHBondContact CE-OD1 3.19Å; K404-D490 IonicContact NZ-OD1 3.28Å; K404-D490 PolarHBondContact NZ-OD1 3.13Å; K404-D492 WeakPolarHBondContact CE-OD2 3.45Å; K404-D492 IonicContact NZ-OD2 3.27Å; K404-D492 PolarHBondContact NZ-OD2 3.25Å |
| 405 | I | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -73.7 | -49.7 | 179 | -73.3 | 162.3 | 0 | 0 | 0 | 113.3 | S334 I337 L338 L341 C386 T401 T402 P407 M408 L409 | S334-I405 WeakPolarHBondContact O-CD1 3.08Å; I337-I405 HydrophobicContact CB-CD1 4.09Å; I337-I405 HydrophobicContact CG2-CD1 3.96Å; I337-I405 HydrophobicContact CG2-CG1 4.33Å; I337-I405 HydrophobicContact CG2-CG2 3.94Å; L338-I405 HydrophobicContact CB-CD1 4.16Å; L338-I405 HydrophobicContact CB-CG1 3.9Å; L338-I405 HydrophobicContact CD1-CG1 4.06Å; L341-I405 HydrophobicContact CD1-CG2 3.7Å; C386-I405 WeakPolarHBondContact SG-CG2 3.35Å; T401-I405 HydrophobicContact CG2-CD1 4.13Å; T401-I405 WeakPolarHBondContact O-CD1 3.3Å; T401-I405 VanDerWaalsContact O-CG1 3.3Å; T401-I405 WeakPolarHBondContact O-CG1 3.25Å; T401-I405 PolarHBondContact O-N 3.15Å; T402-I405 WeakPolarHBondContact O-CB 3.44Å; T402-I405 PolarHBondContact O-N 3.16Å; T402-I405 VanDerWaalsContact O-N 3.12Å; I405-P407 VanDerWaalsContact C-CD 3.46Å; I405-P407 VanDerWaalsContact C-N 3.32Å; I405-M408 WeakPolarHBondContact O-CA 3.35Å; I405-M408 VanDerWaalsContact O-CB 3.31Å; I405-M408 WeakPolarHBondContact O-CB 3.19Å; I405-M408 PolarHBondContact O-N 3Å; I405-L409 HydrophobicContact CG2-CD1 3.96Å; I405-L409 HydrophobicContact CG2-CG 4.21Å; I405-L409 PolarHBondContact O-N 2.99Å; I405-L409 VanDerWaalsContact O-N 3.14Å |
| 406 | I | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.5 | -39.1 | -172.5 | -65.6 | 162.5 | 0 | 0 | 0 | 112.7 | C386 L387 L391 T402 M408 L409 C410 V417 L421 A444 | C386-I406 HydrophobicContact CB-CD1 4.4Å; C386-I406 HydrophobicContact CB-CG1 4.02Å; L387-I406 HydrophobicContact CD2-CD1 3.81Å; L387-I406 HydrophobicContact CD2-CG1 4.36Å; L391-I406 HydrophobicContact CD1-CD1 3.89Å; L391-I406 HydrophobicContact CD2-CD1 3.97Å; L391-I406 HydrophobicContact CG-CD1 3.94Å; T402-I406 HydrophobicContact CG2-CD1 3.79Å; T402-I406 HydrophobicContact CG2-CG1 4.24Å; T402-I406 WeakPolarHBondContact O-CG1 3.3Å; T402-I406 PolarHBondContact O-N 3.02Å; I406-M408 VanDerWaalsContact C-N 3.29Å; I406-M408 PolarHBondContact O-N 3.32Å; I406-L409 PolarHBondContact O-N 2.86Å; I406-C410 WeakPolarHBondContact O-CB 3.26Å; I406-C410 PolarHBondContact O-N 2.79Å; I406-C410 PolarHBondContact O-SG 3.32Å; I406-C410 VanDerWaalsContact O-SG 3.36Å; I406-V417 HydrophobicContact CG2-CG1 4.36Å; I406-L421 HydrophobicContact CG2-CD2 4.31Å; I406-A444 HydrophobicContact CB-CB 4.4Å; I406-A444 HydrophobicContact CD1-CB 3.59Å; I406-A444 HydrophobicContact CG2-CB 4.36Å |
| 407 | P | 89.1 | Confident | 89.9 | Confident | 12.5 Ų | 12.5 | 17.5 Ų | 17.5 | 8% | 0.081 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.4 | -36.3 | 171.2 | -27 | 35.1 | 0 | 0 | 0 | 113.9 | V403 I405 C410 I411 Y447 | V403-P407 WeakPolarHBondContact O-CD 3.24Å; V403-P407 VanDerWaalsContact O-CG 3.24Å; V403-P407 WeakPolarHBondContact O-CG 3.48Å; I405-P407 VanDerWaalsContact C-CD 3.46Å; I405-P407 VanDerWaalsContact C-N 3.32Å; P407-C410 CarbonylContact O-C 3.58Å; P407-C410 PolarHBondContact O-N 2.8Å; P407-I411 WeakPolarHBondContact O-CB 3.24Å; P407-I411 WeakPolarHBondContact O-CD1 3.27Å; P407-I411 VanDerWaalsContact O-CG1 3.22Å; P407-I411 WeakPolarHBondContact O-CG1 3.46Å; P407-I411 PolarHBondContact O-N 2.97Å; P407-Y447 VanDerWaalsContact CG-CB 3.4Å |
| 408 | M | 90.4 | Very high | 90.3 | Very high | 16 Ų | 16 | 15.7 Ų | 15.7 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.6 | -43.8 | 176.3 | -60.7 | -171.8 | -171.7 | 0 | 0 | 111.4 | L338 L341 R342 I345 I405 I406 C410 I411 L412 F489 | L338-M408 HydrophobicContact CD1-CE 3.5Å; L338-M408 VanDerWaalsContact CD1-CE 3.5Å; L338-M408 HydrophobicContact CD1-SD 3.99Å; L341-M408 HydrophobicContact CB-CB 4.24Å; L341-M408 HydrophobicContact CB-SD 4.07Å; L341-M408 HydrophobicContact CD1-CB 4.35Å; R342-M408 HydrophobicContact CG-CE 3.77Å; R342-M408 HydrophobicContact CG-SD 3.96Å; I345-M408 HydrophobicContact CD1-CB 3.93Å; I345-M408 HydrophobicContact CD1-CG 4.14Å; I345-M408 HydrophobicContact CD1-SD 4.35Å; I405-M408 WeakPolarHBondContact O-CA 3.35Å; I405-M408 VanDerWaalsContact O-CB 3.31Å; I405-M408 WeakPolarHBondContact O-CB 3.19Å; I405-M408 PolarHBondContact O-N 3Å; I406-M408 VanDerWaalsContact C-N 3.29Å; I406-M408 PolarHBondContact O-N 3.32Å; M408-C410 VanDerWaalsContact C-N 3.32Å; M408-C410 PolarHBondContact O-N 2.81Å; M408-I411 PolarHBondContact O-N 3.36Å; M408-L412 VanDerWaalsContact O-CG 3.32Å; M408-L412 WeakPolarHBondContact O-CG 3.27Å; M408-L412 PolarHBondContact O-N 2.98Å; M408-F489 HydrophobicContact CE-CD1 3.77Å; M408-F489 HydrophobicContact CE-CD2 4.11Å; M408-F489 HydrophobicContact CE-CE1 3.29Å; M408-F489 HydrophobicContact CE-CE2 3.66Å; M408-F489 HydrophobicContact CE-CG 4.18Å; M408-F489 HydrophobicContact CE-CZ 3.24Å; M408-F489 HydrophobicContact CG-CZ 4.44Å |
| 409 | L | 93.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | 173.6 | -62.8 | 175.2 | 0 | 0 | 0 | 110.7 | L341 V379 F382 C386 I405 I406 I411 L412 R413 V417 | L341-L409 HydrophobicContact CD1-CD2 3.64Å; L341-L409 HydrophobicContact CD1-CG 3.88Å; L341-L409 HydrophobicContact CD2-CD2 3.79Å; L341-L409 HydrophobicContact CG-CD2 4.39Å; V379-L409 HydrophobicContact CG1-CD2 4.4Å; V379-L409 HydrophobicContact CG2-CD2 4.15Å; F382-L409 HydrophobicContact CB-CD1 4.34Å; F382-L409 HydrophobicContact CB-CD2 4.17Å; C386-L409 HydrophobicContact CB-CD1 4.41Å; I405-L409 HydrophobicContact CG2-CD1 3.96Å; I405-L409 HydrophobicContact CG2-CG 4.21Å; I405-L409 PolarHBondContact O-N 2.99Å; I405-L409 VanDerWaalsContact O-N 3.14Å; I406-L409 PolarHBondContact O-N 2.86Å; L409-I411 VanDerWaalsContact C-N 3.33Å; L409-I411 PolarHBondContact O-N 3.27Å; L409-L412 PolarHBondContact O-N 3.14Å; L409-R413 PolarHBondContact O-N 2.96Å; L409-V417 HydrophobicContact CB-CG1 4.17Å; L409-V417 HydrophobicContact CB-CG2 3.87Å |
| 410 | C | 90.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.8 | -29.1 | 175.3 | -73.2 | 0 | 0 | 0 | 0 | 113.8 | I406 P407 M408 P414 V417 S451 | I406-C410 WeakPolarHBondContact O-CB 3.26Å; I406-C410 PolarHBondContact O-N 2.79Å; I406-C410 PolarHBondContact O-SG 3.32Å; I406-C410 VanDerWaalsContact O-SG 3.36Å; P407-C410 CarbonylContact O-C 3.58Å; P407-C410 PolarHBondContact O-N 2.8Å; M408-C410 VanDerWaalsContact C-N 3.32Å; M408-C410 PolarHBondContact O-N 2.81Å; C410-P414 VanDerWaalsContact O-CA 3.28Å; C410-P414 WeakPolarHBondContact O-CA 3.44Å; C410-P414 VanDerWaalsContact O-CB 3.27Å; C410-P414 WeakPolarHBondContact O-CB 3.38Å; C410-P414 VanDerWaalsContact O-CD 3.24Å; C410-P414 WeakPolarHBondContact O-CD 3.45Å; C410-P414 WeakPolarHBondContact O-CG 3.31Å; C410-V417 WeakPolarHBondContact SG-CG1 3.33Å; C410-S451 VanDerWaalsContact O-CB 3.28Å; C410-S451 WeakPolarHBondContact O-CB 3.17Å; C410-S451 PolarHBondContact O-OG 2.69Å |
| 411 | I | 85.8 | Confident | 91 | Very high | 47.5 Ų | 47.5 | 17.9 Ų | 17.9 | 24% | 0.244 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -75.6 | -37.2 | 173.6 | -75.3 | 164.2 | 0 | 0 | 0 | 110.7 | P407 M408 L409 P458 | P407-I411 WeakPolarHBondContact O-CB 3.24Å; P407-I411 WeakPolarHBondContact O-CD1 3.27Å; P407-I411 VanDerWaalsContact O-CG1 3.22Å; P407-I411 WeakPolarHBondContact O-CG1 3.46Å; P407-I411 PolarHBondContact O-N 2.97Å; M408-I411 PolarHBondContact O-N 3.36Å; L409-I411 VanDerWaalsContact C-N 3.33Å; L409-I411 PolarHBondContact O-N 3.27Å; I411-P458 HydrophobicContact CG2-CB 3.54Å; I411-P458 HydrophobicContact CG2-CG 3.63Å |
| 412 | L | 89.8 | Confident | 91.1 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.7 | -48.2 | 179.8 | -73.2 | 166.4 | 0 | 0 | 0 | 112.5 | L341 L344 I345 L348 V375 V379 M408 L409 F596 | L341-L412 HydrophobicContact CD2-CD1 3.77Å; L344-L412 HydrophobicContact CD2-CD1 3.79Å; L344-L412 HydrophobicContact CD2-CD2 4.47Å; L344-L412 HydrophobicContact CG-CD1 4.43Å; L344-L412 HydrophobicContact CG-CD2 4.48Å; I345-L412 HydrophobicContact CD1-CG 4.5Å; I345-L412 HydrophobicContact CG1-CD1 4.33Å; I345-L412 HydrophobicContact CG1-CD2 3.93Å; I345-L412 HydrophobicContact CG1-CG 4.15Å; L348-L412 HydrophobicContact CD1-CD2 3.55Å; V375-L412 HydrophobicContact CG1-CD2 4.33Å; V379-L412 HydrophobicContact CG2-CB 4.05Å; V379-L412 HydrophobicContact CG2-CD1 4.44Å; M408-L412 VanDerWaalsContact O-CG 3.32Å; M408-L412 WeakPolarHBondContact O-CG 3.27Å; M408-L412 PolarHBondContact O-N 2.98Å; L409-L412 PolarHBondContact O-N 3.14Å; L412-F596 HydrophobicContact CD2-CE1 4.35Å; L412-F596 VanDerWaalsContact O-CD1 3.29Å; L412-F596 WeakPolarHBondContact O-CD1 3.42Å |
| 413 | R | 92 | Very high | 91.2 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | trans | -144.9 | 72.7 | -178.3 | -62.8 | -62.6 | -178.9 | -107.7 | 7 | 112 | V372 V375 D376 V379 L409 S415 R416 V417 H592 | V372-R413 PolarHBondContact O-NH2 2.93Å; V375-R413 HydrophobicContact CG1-CG 4.46Å; D376-R413 WeakPolarHBondContact OD1-CD 3.29Å; D376-R413 IonicContact OD1-CZ 3.71Å; D376-R413 IonicContact OD1-NE 3.51Å; D376-R413 PolarHBondContact OD1-NE 3.07Å; D376-R413 IonicContact OD1-NH2 3.37Å; V379-R413 HydrophobicContact CB-CB 4.47Å; V379-R413 HydrophobicContact CB-CG 4.42Å; V379-R413 HydrophobicContact CG1-CB 4.19Å; V379-R413 HydrophobicContact CG2-CB 4.27Å; V379-R413 HydrophobicContact CG2-CG 4.02Å; L409-R413 PolarHBondContact O-N 2.96Å; R413-S415 VanDerWaalsContact C-N 3.27Å; R413-S415 PolarHBondContact O-N 3.13Å; R413-S415 VanDerWaalsContact O-N 3.14Å; R413-R416 HydrophobicContact CB-CB 4.3Å; R413-R416 HydrophobicContact CB-CG 4.39Å; R413-R416 PolarHBondContact O-N 3.46Å; R413-R416 VanDerWaalsContact O-N 3.14Å; R413-V417 PolarHBondContact O-N 2.91Å; R413-H592 PolarHBondContact NH2-ND1 3.34Å; R413-H592 VanDerWaalsContact NH2-ND1 3.14Å | ||
| 414 | P | 89.7 | Confident | 91.3 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57 | -35.3 | -176.4 | 17.2 | -28 | 0 | 0 | 0 | 113.9 | C410 R416 M418 S451 Y598 | C410-P414 VanDerWaalsContact O-CA 3.28Å; C410-P414 WeakPolarHBondContact O-CA 3.44Å; C410-P414 VanDerWaalsContact O-CB 3.27Å; C410-P414 WeakPolarHBondContact O-CB 3.38Å; C410-P414 VanDerWaalsContact O-CD 3.24Å; C410-P414 WeakPolarHBondContact O-CD 3.45Å; C410-P414 WeakPolarHBondContact O-CG 3.31Å; P414-R416 PolarHBondContact O-N 3.06Å; P414-M418 WeakPolarHBondContact O-CB 3.44Å; P414-M418 PolarHBondContact O-N 3.29Å; P414-S451 WeakPolarHBondContact CB-O 3.34Å; P414-Y598 HydrophobicContact CB-CD1 4.45Å; P414-Y598 HydrophobicContact CB-CG 4.32Å |
| 415 | S | 89.3 | Confident | 91.4 | Very high | 56.5 Ų | 56.5 | 20.2 Ų | 20.2 | 40% | 0.395 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -68.2 | -16.4 | -179.8 | 59.1 | 0 | 0 | 0 | 0 | 115.2 | R413 P419 Y598 | R413-S415 VanDerWaalsContact C-N 3.27Å; R413-S415 PolarHBondContact O-N 3.13Å; R413-S415 VanDerWaalsContact O-N 3.14Å; S415-P419 WeakPolarHBondContact O-CG 3.36Å; S415-Y598 VanDerWaalsContact CA-CD2 3.49Å; S415-Y598 VanDerWaalsContact CB-CD2 3.43Å |
| 416 | R | 90.8 | Very high | 91.3 | Very high | 89 Ų | 89 | 24.3 Ų | 24.3 | 34% | 0.336 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -96.8 | -45.9 | 177.7 | -69 | 173.8 | 171 | -94.7 | 5 | 111.2 | D376 D380 R413 P414 C420 | D376-R416 IonicContact OD1-NE 3.87Å; D376-R416 IonicContact OD2-CZ 2.79Å; D376-R416 VanDerWaalsContact OD2-CZ 3.24Å; D376-R416 IonicContact OD2-NE 3.22Å; D376-R416 PolarHBondContact OD2-NE 3.45Å; D376-R416 IonicContact OD2-NH2 3.25Å; D376-R416 PolarHBondContact OD2-NH2 3.28Å; D380-R416 WeakPolarHBondContact OD1-CD 3.29Å; D380-R416 IonicContact OD1-CZ 2.82Å; D380-R416 IonicContact OD1-NE 3.65Å; D380-R416 IonicContact OD1-NH1 2.68Å; D380-R416 PolarHBondContact OD1-NH1 3.49Å; D380-R416 IonicContact OD2-CZ 3.72Å; D380-R416 IonicContact OD2-NH1 2.8Å; D380-R416 PolarHBondContact OD2-NH1 2.92Å; D380-R416 IonicContact OD2-NH2 3.61Å; R413-R416 HydrophobicContact CB-CB 4.3Å; R413-R416 HydrophobicContact CB-CG 4.39Å; R413-R416 PolarHBondContact O-N 3.46Å; R413-R416 VanDerWaalsContact O-N 3.14Å; P414-R416 PolarHBondContact O-N 3.06Å; R416-C420 PolarHBondContact O-SG 3.11Å |
| 417 | V | 93.4 | Very high | 91.1 | Very high | 0.5 Ų | 0.5 | 25.7 Ų | 25.7 | 0% | 0.003 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -83 | -40.2 | -171.1 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | V379 T383 I406 L409 C410 R413 C420 L421 | V379-V417 HydrophobicContact CG1-CG2 3.4Å; V379-V417 VanDerWaalsContact CG1-CG2 3.4Å; T383-V417 HydrophobicContact CG2-CG1 4.26Å; I406-V417 HydrophobicContact CG2-CG1 4.36Å; L409-V417 HydrophobicContact CB-CG1 4.17Å; L409-V417 HydrophobicContact CB-CG2 3.87Å; C410-V417 WeakPolarHBondContact SG-CG1 3.33Å; R413-V417 PolarHBondContact O-N 2.91Å; V417-C420 PolarHBondContact O-N 2.88Å; V417-L421 PolarHBondContact O-N 3.29Å; V417-L421 VanDerWaalsContact O-N 3.13Å |
| 418 | M | 92 | Very high | 91 | Very high | 0.5 Ų | 0.5 | 25.2 Ų | 25.2 | 0% | 0.002 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.4 | -41.5 | -170.8 | -157.2 | 62.3 | 159.4 | 0 | 0 | 113.7 | P414 C420 L421 L422 L445 I449 L452 Y598 | P414-M418 WeakPolarHBondContact O-CB 3.44Å; P414-M418 PolarHBondContact O-N 3.29Å; M418-C420 PolarHBondContact O-N 3.39Å; M418-L421 PolarHBondContact O-N 3.41Å; M418-L421 HydrophobicContact SD-CD2 4.05Å; M418-L422 WeakPolarHBondContact O-CG 3.38Å; M418-L422 PolarHBondContact O-N 3.09Å; M418-L422 VanDerWaalsContact O-N 3.12Å; M418-L445 HydrophobicContact CE-CD1 3.53Å; M418-L445 HydrophobicContact SD-CD1 4.34Å; M418-I449 HydrophobicContact CE-CD1 4.2Å; M418-L452 HydrophobicContact CE-CB 3.72Å; M418-L452 HydrophobicContact CE-CD1 4.01Å; M418-L452 HydrophobicContact CE-CG 4.47Å; M418-L452 HydrophobicContact CG-CB 4.24Å; M418-L452 HydrophobicContact CG-CD1 3.89Å; M418-Y598 HydrophobicContact CB-CD1 4.48Å; M418-Y598 HydrophobicContact CB-CE1 4.24Å |
| 419 | P | 92 | Very high | 90.7 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 20% | 0.201 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.3 | -49.5 | 173.3 | -25.2 | 35.6 | 0 | 0 | 0 | 112.2 | S415 L421 L422 D423 | S415-P419 WeakPolarHBondContact O-CG 3.36Å; P419-L421 VanDerWaalsContact C-N 3.26Å; P419-L421 PolarHBondContact O-N 3.29Å; P419-L422 PolarHBondContact O-N 3.02Å; P419-D423 PolarHBondContact O-N 2.85Å |
| 420 | C | 93.6 | Very high | 90.4 | Very high | 53.5 Ų | 53.5 | 31 Ų | 31 | 36% | 0.361 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.3 | -35.6 | 179.6 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | L387 R416 V417 M418 N424 | L387-C420 HydrophobicContact CD1-CB 3.67Å; R416-C420 PolarHBondContact O-SG 3.11Å; V417-C420 PolarHBondContact O-N 2.88Å; M418-C420 PolarHBondContact O-N 3.39Å; C420-N424 WeakPolarHBondContact O-CB 3.32Å; C420-N424 PolarHBondContact O-N 3.12Å; C420-N424 VanDerWaalsContact O-N 3.09Å |
| 421 | L | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.9 | -38.9 | 174.9 | -177.9 | 62.8 | 0 | 0 | 0 | 112.4 | L387 I406 V417 M418 P419 L425 P441 A444 L445 | L387-L421 HydrophobicContact CD2-CB 4.46Å; L387-L421 HydrophobicContact CD2-CD1 3.78Å; I406-L421 HydrophobicContact CG2-CD2 4.31Å; V417-L421 PolarHBondContact O-N 3.29Å; V417-L421 VanDerWaalsContact O-N 3.13Å; M418-L421 PolarHBondContact O-N 3.41Å; M418-L421 HydrophobicContact SD-CD2 4.05Å; P419-L421 VanDerWaalsContact C-N 3.26Å; P419-L421 PolarHBondContact O-N 3.29Å; L421-L425 WeakPolarHBondContact O-CG 3.39Å; L421-L425 PolarHBondContact O-N 3.04Å; L421-L425 VanDerWaalsContact O-N 3.1Å; L421-P441 HydrophobicContact CD1-CB 4.12Å; L421-A444 HydrophobicContact CD1-CB 4.09Å; L421-L445 HydrophobicContact CD2-CB 4.33Å; L421-L445 HydrophobicContact CD2-CD1 4.02Å |
| 422 | L | 92.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71 | -39.9 | 176.2 | -62.1 | -176.5 | 0 | 0 | 0 | 112.2 | M418 P419 N424 L425 E426 L445 L452 E604 V608 L611 | M418-L422 WeakPolarHBondContact O-CG 3.38Å; M418-L422 PolarHBondContact O-N 3.09Å; M418-L422 VanDerWaalsContact O-N 3.12Å; P419-L422 PolarHBondContact O-N 3.02Å; L422-N424 VanDerWaalsContact C-N 3.32Å; L422-N424 PolarHBondContact O-N 2.99Å; L422-L425 HydrophobicContact CD2-CD1 4.13Å; L422-L425 WeakPolarHBondContact O-CB 3.38Å; L422-L425 PolarHBondContact O-N 3.14Å; L422-E426 WeakPolarHBondContact O-CB 3.21Å; L422-E426 PolarHBondContact O-N 3.29Å; L422-L445 HydrophobicContact CD2-CD1 3.97Å; L422-L452 HydrophobicContact CD1-CD1 4.06Å; L422-E604 HydrophobicContact CD1-CB 4.2Å; L422-E604 HydrophobicContact CD1-CG 4.49Å; L422-V608 HydrophobicContact CD1-CG2 3.74Å; L422-V608 HydrophobicContact CD2-CG2 3.69Å; L422-V608 HydrophobicContact CG-CG2 4.39Å; L422-L611 HydrophobicContact CD2-CD1 4.31Å |
| 423 | D | 92.6 | Very high | 89.4 | Confident | 79.5 Ų | 79.5 | 49.4 Ų | 49.4 | 43% | 0.425 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 176.2 | -60.1 | -18.9 | 0 | 0 | 0 | 110.8 | P419 E426 S427 R607 | P419-D423 PolarHBondContact O-N 2.85Å; D423-E426 PolarHBondContact O-N 3.27Å; D423-S427 WeakPolarHBondContact O-CB 3.49Å; D423-S427 PolarHBondContact O-N 3.18Å; D423-R607 IonicContact OD1-CZ 2.76Å; D423-R607 IonicContact OD1-NH1 3.91Å; D423-R607 PolarHBondContact OD1-NH1 3.42Å; D423-R607 IonicContact OD1-NH2 3.31Å; D423-R607 PolarHBondContact OD1-NH2 3.17Å |
| 424 | N | 91.1 | Very high | 89 | Confident | 28.5 Ų | 28.5 | 53.7 Ų | 53.7 | 15% | 0.152 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 174.5 | -93.9 | -17.9 | 0 | 0 | 0 | 112.5 | D388 C420 L422 S427 G428 P441 | D388-N424 PolarHBondContact OD1-ND2 3.13Å; C420-N424 WeakPolarHBondContact O-CB 3.32Å; C420-N424 PolarHBondContact O-N 3.12Å; C420-N424 VanDerWaalsContact O-N 3.09Å; L422-N424 VanDerWaalsContact C-N 3.32Å; L422-N424 PolarHBondContact O-N 2.99Å; N424-S427 PolarHBondContact O-N 2.94Å; N424-S427 PolarHBondContact O-OG 2.8Å; N424-G428 PolarHBondContact O-N 3.24Å; N424-P441 HydrophobicContact CB-CG 4.48Å |
| 425 | L | 90.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 172.2 | -84.6 | 162.8 | 0 | 0 | 0 | 112.6 | L421 L422 S427 G428 L429 F438 P441 L442 L445 L611 | L421-L425 WeakPolarHBondContact O-CG 3.39Å; L421-L425 PolarHBondContact O-N 3.04Å; L421-L425 VanDerWaalsContact O-N 3.1Å; L422-L425 HydrophobicContact CD2-CD1 4.13Å; L422-L425 WeakPolarHBondContact O-CB 3.38Å; L422-L425 PolarHBondContact O-N 3.14Å; L425-S427 VanDerWaalsContact C-N 3.34Å; L425-S427 PolarHBondContact O-N 3.11Å; L425-G428 WeakPolarHBondContact O-CA 3.21Å; L425-G428 PolarHBondContact O-N 3.15Å; L425-G428 VanDerWaalsContact O-N 3.09Å; L425-L429 PolarHBondContact O-N 3.18Å; L425-L429 VanDerWaalsContact O-N 3.1Å; L425-F438 HydrophobicContact CD2-CD2 3.78Å; L425-F438 HydrophobicContact CD2-CE2 3.72Å; L425-F438 HydrophobicContact CD2-CZ 4.48Å; L425-P441 HydrophobicContact CD2-CB 3.87Å; L425-P441 HydrophobicContact CG-CB 3.75Å; L425-L442 HydrophobicContact CD2-CB 3.83Å; L425-L442 HydrophobicContact CD2-CD1 4.48Å; L425-L445 HydrophobicContact CD1-CB 4.23Å; L425-L445 HydrophobicContact CD1-CD1 4.4Å; L425-L445 HydrophobicContact CD1-CD2 3.78Å; L425-L445 HydrophobicContact CD1-CG 4.35Å; L425-L611 HydrophobicContact CB-CD1 4.26Å |
| 426 | E | 90.3 | Very high | 88.5 | Confident | 85.5 Ų | 85.5 | 58 Ų | 58 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 178.3 | -122.5 | 173.8 | 164.4 | 0 | 0 | 111.6 | L422 D423 G428 L429 S430 R607 L611 | L422-E426 WeakPolarHBondContact O-CB 3.21Å; L422-E426 PolarHBondContact O-N 3.29Å; D423-E426 PolarHBondContact O-N 3.27Å; E426-G428 PolarHBondContact O-N 2.99Å; E426-L429 PolarHBondContact O-N 3.26Å; E426-L429 VanDerWaalsContact O-N 3.11Å; E426-S430 PolarHBondContact O-N 3.32Å; E426-S430 VanDerWaalsContact O-N 3.17Å; E426-R607 VanDerWaalsContact CD-NH2 3.27Å; E426-R607 WeakPolarHBondContact OE1-CG 3.49Å; E426-R607 IonicContact OE1-CZ 2.71Å; E426-R607 IonicContact OE1-NE 3.63Å; E426-R607 PolarHBondContact OE1-NE 3.27Å; E426-R607 IonicContact OE1-NH2 2.94Å; E426-R607 PolarHBondContact OE1-NH2 2.59Å; E426-R607 IonicContact OE2-CZ 2.7Å; E426-R607 VanDerWaalsContact OE2-CZ 3.28Å; E426-R607 IonicContact OE2-NE 3.52Å; E426-R607 PolarHBondContact OE2-NE 2.82Å; E426-R607 IonicContact OE2-NH2 3.24Å; E426-R607 PolarHBondContact OE2-NH2 2.91Å; E426-L611 HydrophobicContact CB-CD2 4.26Å; E426-L611 HydrophobicContact CG-CD1 4.14Å; E426-L611 HydrophobicContact CG-CD2 4Å; E426-L611 HydrophobicContact CG-CG 4.4Å |
| 427 | S | 90.1 | Very high | 88.5 | Confident | 29.5 Ų | 29.5 | 57.5 Ų | 57.5 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.8 | -33.3 | 172.5 | 96.4 | 0 | 0 | 0 | 0 | 112 | D423 N424 L425 S430 K431 | D423-S427 WeakPolarHBondContact O-CB 3.49Å; D423-S427 PolarHBondContact O-N 3.18Å; N424-S427 PolarHBondContact O-N 2.94Å; N424-S427 PolarHBondContact O-OG 2.8Å; L425-S427 VanDerWaalsContact C-N 3.34Å; L425-S427 PolarHBondContact O-N 3.11Å; S427-S430 PolarHBondContact O-N 2.73Å; S427-S430 PolarHBondContact O-OG 3.36Å; S427-K431 WeakPolarHBondContact O-CD 3.34Å; S427-K431 WeakPolarHBondContact O-CG 3.26Å; S427-K431 PolarHBondContact O-N 3.13Å |
| 428 | G | 86.3 | Confident | 88.4 | Confident | 3.5 Ų | 3.5 | 57.7 Ų | 57.7 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | N424 L425 E426 S430 K431 | N424-G428 PolarHBondContact O-N 3.24Å; L425-G428 WeakPolarHBondContact O-CA 3.21Å; L425-G428 PolarHBondContact O-N 3.15Å; L425-G428 VanDerWaalsContact O-N 3.09Å; E426-G428 PolarHBondContact O-N 2.99Å; G428-S430 VanDerWaalsContact C-N 3.32Å; G428-S430 PolarHBondContact O-N 2.87Å; G428-K431 CarbonylContact O-C 3.49Å; G428-K431 PolarHBondContact O-N 3.07Å; G428-K431 VanDerWaalsContact O-N 3.15Å |
| 429 | L | 85.4 | Confident | 88.3 | Confident | 46.5 Ų | 46.5 | 58.3 Ų | 58.3 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 174.8 | -69.4 | 178.4 | 0 | 0 | 0 | 112.5 | L425 E426 K431 L432 F438 L611 H614 | L425-L429 PolarHBondContact O-N 3.18Å; L425-L429 VanDerWaalsContact O-N 3.1Å; E426-L429 PolarHBondContact O-N 3.26Å; E426-L429 VanDerWaalsContact O-N 3.11Å; L429-K431 PolarHBondContact O-N 3.17Å; L429-L432 WeakPolarHBondContact O-CD2 3.46Å; L429-F438 HydrophobicContact CD1-CE2 4.1Å; L429-F438 HydrophobicContact CD2-CD1 4.39Å; L429-F438 HydrophobicContact CD2-CD2 3.55Å; L429-F438 HydrophobicContact CD2-CE1 4.36Å; L429-F438 HydrophobicContact CD2-CE2 3.52Å; L429-F438 HydrophobicContact CD2-CG 4Å; L429-F438 HydrophobicContact CD2-CZ 3.94Å; L429-F438 HydrophobicContact CG-CD2 3.66Å; L429-F438 HydrophobicContact CG-CE2 3.67Å; L429-F438 HydrophobicContact CG-CG 4.49Å; L429-L611 HydrophobicContact CD1-CD2 3.49Å; L429-L611 VanDerWaalsContact CD1-CD2 3.47Å; L429-H614 HydrophobicContact CD1-CB 4.19Å; L429-H614 HydrophobicContact CD2-CB 3.97Å |
| 430 | S | 86.6 | Confident | 88.3 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.9 | -17.1 | 175.6 | 75.9 | 0 | 0 | 0 | 0 | 113.9 | E426 S427 G428 | E426-S430 PolarHBondContact O-N 3.32Å; E426-S430 VanDerWaalsContact O-N 3.17Å; S427-S430 PolarHBondContact O-N 2.73Å; S427-S430 PolarHBondContact O-OG 3.36Å; G428-S430 VanDerWaalsContact C-N 3.32Å; G428-S430 PolarHBondContact O-N 2.87Å |
| 431 | K | 86.4 | Confident | 88.3 | Confident | 94 Ų | 94 | 55.9 Ų | 55.9 | 41% | 0.409 | 29% | 0.287 | S | S | . | . | trans | -115.6 | 63 | -172.7 | -67.5 | 166.6 | -171.4 | 165 | 0 | 111.2 | S427 G428 L429 E433 M434 | S427-K431 WeakPolarHBondContact O-CD 3.34Å; S427-K431 WeakPolarHBondContact O-CG 3.26Å; S427-K431 PolarHBondContact O-N 3.13Å; G428-K431 CarbonylContact O-C 3.49Å; G428-K431 PolarHBondContact O-N 3.07Å; G428-K431 VanDerWaalsContact O-N 3.15Å; L429-K431 PolarHBondContact O-N 3.17Å; K431-E433 PolarHBondContact O-N 3.31Å; K431-M434 HydrophobicContact CB-CE 4.02Å; K431-M434 HydrophobicContact CD-CE 3.86Å; K431-M434 HydrophobicContact CG-CE 4.13Å; K431-M434 PolarHBondContact O-N 3.11Å | ||
| 432 | L | 76.7 | Confident | 88.2 | Confident | 153.5 Ų | 153.5 | 55.9 Ų | 55.9 | 80% | 0.804 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -30.4 | -176.3 | -62.1 | 176.4 | 0 | 0 | 0 | 114.2 | L429 M434 | L429-L432 WeakPolarHBondContact O-CD2 3.46Å; L432-M434 VanDerWaalsContact C-N 3.25Å; L432-M434 PolarHBondContact O-N 2.78Å |
| 433 | E | 81.8 | Confident | 88.2 | Confident | 188.5 Ų | 188.5 | 56.2 Ų | 56.2 | 88% | 0.881 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.6 | 176.6 | -60.9 | 176.1 | 174.4 | 0 | 0 | 114.1 | K431 P435 | K431-E433 PolarHBondContact O-N 3.31Å; E433-P435 VanDerWaalsContact O-CD 3.27Å; E433-P435 WeakPolarHBondContact O-CD 3.38Å |
| 434 | M | 83.6 | Confident | 88.2 | Confident | 93.5 Ų | 93.5 | 52.4 Ų | 52.4 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | trans | -117.3 | 74.5 | -175.4 | -67.1 | -169.2 | 1 | 0 | 0 | 111.2 | K431 L432 L436 R437 | K431-M434 HydrophobicContact CB-CE 4.02Å; K431-M434 HydrophobicContact CD-CE 3.86Å; K431-M434 HydrophobicContact CG-CE 4.13Å; K431-M434 PolarHBondContact O-N 3.11Å; L432-M434 VanDerWaalsContact C-N 3.25Å; L432-M434 PolarHBondContact O-N 2.78Å; M434-L436 PolarHBondContact O-N 3.37Å; M434-R437 HydrophobicContact CB-CB 4.28Å; M434-R437 HydrophobicContact CB-CG 3.72Å; M434-R437 HydrophobicContact CE-CG 4.43Å; M434-R437 WeakPolarHBondContact O-CB 3.44Å; M434-R437 PolarHBondContact O-N 3.06Å; M434-R437 HydrophobicContact SD-CG 4.21Å | ||
| 435 | P | 82.1 | Confident | 88.2 | Confident | 55.5 Ų | 55.5 | 51 Ų | 51 | 36% | 0.36 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -31.4 | -168.2 | 20.2 | -33.2 | 0 | 0 | 0 | 114.7 | E433 R437 F438 T439 R623 | E433-P435 VanDerWaalsContact O-CD 3.27Å; E433-P435 WeakPolarHBondContact O-CD 3.38Å; P435-R437 VanDerWaalsContact C-N 3.28Å; P435-R437 PolarHBondContact O-N 3.1Å; P435-F438 PolarHBondContact O-N 3.42Å; P435-T439 PolarHBondContact O-N 3.38Å; P435-T439 VanDerWaalsContact O-N 3.11Å; P435-T439 PolarHBondContact O-OG1 3.01Å; P435-T439 VanDerWaalsContact O-OG1 3.1Å; P435-R623 VanDerWaalsContact CB-NH2 3.3Å; P435-R623 PolarHBondContact O-NH2 3.27Å |
| 436 | L | 87.2 | Confident | 88.1 | Confident | 93 Ų | 93 | 51 Ų | 51 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.2 | -23.8 | 176.8 | -63.9 | 177.4 | 0 | 0 | 0 | 113.9 | M434 F438 T439 R440 | M434-L436 PolarHBondContact O-N 3.37Å; L436-F438 PolarHBondContact O-N 3.19Å; L436-T439 PolarHBondContact O-N 3.22Å; L436-R440 HydrophobicContact CB-CG 4.23Å; L436-R440 HydrophobicContact CD2-CG 4.34Å; L436-R440 WeakPolarHBondContact O-CB 3.39Å; L436-R440 PolarHBondContact O-N 2.92Å; L436-R440 VanDerWaalsContact O-N 3.14Å |
| 437 | R | 90.1 | Very high | 87.8 | Confident | 78 Ų | 78 | 49.3 Ų | 49.3 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64 | -21 | 174.4 | -70.7 | -72.4 | -177.3 | -178.7 | -2.3 | 112.7 | Y392 M434 P435 P441 | Y392-R437 HydrophobicContact CE1-CG 4.49Å; M434-R437 HydrophobicContact CB-CB 4.28Å; M434-R437 HydrophobicContact CB-CG 3.72Å; M434-R437 HydrophobicContact CE-CG 4.43Å; M434-R437 WeakPolarHBondContact O-CB 3.44Å; M434-R437 PolarHBondContact O-N 3.06Å; M434-R437 HydrophobicContact SD-CG 4.21Å; P435-R437 VanDerWaalsContact C-N 3.28Å; P435-R437 PolarHBondContact O-N 3.1Å; R437-P441 WeakPolarHBondContact O-CD 3.11Å; R437-P441 WeakPolarHBondContact O-CG 3.16Å |
| 438 | F | 91.2 | Very high | 87.7 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.022 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -99.2 | -47.2 | 169.2 | -177.1 | -106.4 | 0 | 0 | 0 | 111.9 | L425 L429 P435 L436 R440 L442 R623 | L425-F438 HydrophobicContact CD2-CD2 3.78Å; L425-F438 HydrophobicContact CD2-CE2 3.72Å; L425-F438 HydrophobicContact CD2-CZ 4.48Å; L429-F438 HydrophobicContact CD1-CE2 4.1Å; L429-F438 HydrophobicContact CD2-CD1 4.39Å; L429-F438 HydrophobicContact CD2-CD2 3.55Å; L429-F438 HydrophobicContact CD2-CE1 4.36Å; L429-F438 HydrophobicContact CD2-CE2 3.52Å; L429-F438 HydrophobicContact CD2-CG 4Å; L429-F438 HydrophobicContact CD2-CZ 3.94Å; L429-F438 HydrophobicContact CG-CD2 3.66Å; L429-F438 HydrophobicContact CG-CE2 3.67Å; L429-F438 HydrophobicContact CG-CG 4.49Å; P435-F438 PolarHBondContact O-N 3.42Å; L436-F438 PolarHBondContact O-N 3.19Å; F438-R440 PolarHBondContact O-N 2.93Å; F438-L442 HydrophobicContact CD1-CD2 4.35Å; F438-L442 HydrophobicContact CE1-CD2 3.71Å; F438-L442 HydrophobicContact CZ-CD2 4.14Å; F438-L442 VanDerWaalsContact O-CB 3.23Å; F438-L442 WeakPolarHBondContact O-CB 3.43Å; F438-L442 PolarHBondContact O-N 3.05Å; F438-L442 VanDerWaalsContact O-N 3.08Å; F438-R623 HydrophobicContact CD1-CG 4.41Å |
| 439 | T | 90.9 | Very high | 87.7 | Confident | 13.5 Ų | 13.5 | 47.7 Ų | 47.7 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -40.1 | -172.8 | -51.1 | 0 | 0 | 0 | 0 | 113.6 | P435 L436 L442 H443 D622 R623 Y626 | P435-T439 PolarHBondContact O-N 3.38Å; P435-T439 VanDerWaalsContact O-N 3.11Å; P435-T439 PolarHBondContact O-OG1 3.01Å; P435-T439 VanDerWaalsContact O-OG1 3.1Å; L436-T439 PolarHBondContact O-N 3.22Å; T439-L442 WeakPolarHBondContact O-CB 3.45Å; T439-L442 PolarHBondContact O-N 3.22Å; T439-H443 PolarHBondContact O-N 3.36Å; T439-D622 HydrophobicContact CG2-CB 4.22Å; T439-R623 HydrophobicContact CG2-CG 3.98Å; T439-R623 WeakPolarHBondContact OG1-CG 3.46Å; T439-R623 PolarHBondContact OG1-NE 2.99Å; T439-Y626 HydrophobicContact CG2-CD2 4.3Å; T439-Y626 HydrophobicContact CG2-CE2 3.94Å |
| 440 | R | 92.1 | Very high | 87.4 | Confident | 32.5 Ų | 32.5 | 46.6 Ų | 46.6 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78.3 | -42.3 | -174.7 | -63.7 | -120.5 | -171.9 | 179.4 | -2.2 | 113.5 | L391 S393 D396 V399 L436 F438 L442 H443 A444 | L391-R440 WeakPolarHBondContact O-CD 3.44Å; L391-R440 PolarHBondContact O-NH1 3.09Å; S393-R440 PolarHBondContact O-NH1 3.28Å; S393-R440 PolarHBondContact O-NH2 3.21Å; S393-R440 VanDerWaalsContact O-NH2 3.15Å; D396-R440 IonicContact OD1-CZ 2.75Å; D396-R440 IonicContact OD1-NH2 2.6Å; D396-R440 PolarHBondContact OD1-NH2 3.25Å; V399-R440 HydrophobicContact CG1-CG 4.5Å; L436-R440 HydrophobicContact CB-CG 4.23Å; L436-R440 HydrophobicContact CD2-CG 4.34Å; L436-R440 WeakPolarHBondContact O-CB 3.39Å; L436-R440 PolarHBondContact O-N 2.92Å; L436-R440 VanDerWaalsContact O-N 3.14Å; F438-R440 PolarHBondContact O-N 2.93Å; R440-L442 VanDerWaalsContact C-N 3.27Å; R440-L442 PolarHBondContact O-N 3.12Å; R440-H443 WeakPolarHBondContact O-CB 3.39Å; R440-H443 PolarHBondContact O-N 3.24Å; R440-A444 PolarHBondContact O-N 3.18Å; R440-A444 VanDerWaalsContact O-N 3.14Å |
| 441 | P | 93.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -33.5 | 165.7 | -29.2 | 39.2 | 0 | 0 | 0 | 113.3 | L391 Y392 L421 N424 L425 R437 A444 L445 | L391-P441 HydrophobicContact CD1-CG 4.25Å; Y392-P441 HydrophobicContact CE1-CG 4.42Å; Y392-P441 VanDerWaalsContact OH-CG 3.27Å; Y392-P441 WeakPolarHBondContact OH-CG 3.4Å; L421-P441 HydrophobicContact CD1-CB 4.12Å; N424-P441 HydrophobicContact CB-CG 4.48Å; L425-P441 HydrophobicContact CD2-CB 3.87Å; L425-P441 HydrophobicContact CG-CB 3.75Å; R437-P441 WeakPolarHBondContact O-CD 3.11Å; R437-P441 WeakPolarHBondContact O-CG 3.16Å; P441-A444 PolarHBondContact O-N 3.43Å; P441-L445 WeakPolarHBondContact O-CB 3.49Å; P441-L445 PolarHBondContact O-N 2.87Å |
| 442 | L | 92.6 | Very high | 87 | Confident | 1.5 Ų | 1.5 | 38.8 Ų | 38.8 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.6 | -36.8 | 175.8 | -178.1 | 63.6 | 0 | 0 | 0 | 112.2 | L425 F438 T439 R440 L445 A446 L612 R623 | L425-L442 HydrophobicContact CD2-CB 3.83Å; L425-L442 HydrophobicContact CD2-CD1 4.48Å; F438-L442 HydrophobicContact CD1-CD2 4.35Å; F438-L442 HydrophobicContact CE1-CD2 3.71Å; F438-L442 HydrophobicContact CZ-CD2 4.14Å; F438-L442 VanDerWaalsContact O-CB 3.23Å; F438-L442 WeakPolarHBondContact O-CB 3.43Å; F438-L442 PolarHBondContact O-N 3.05Å; F438-L442 VanDerWaalsContact O-N 3.08Å; T439-L442 WeakPolarHBondContact O-CB 3.45Å; T439-L442 PolarHBondContact O-N 3.22Å; R440-L442 VanDerWaalsContact C-N 3.27Å; R440-L442 PolarHBondContact O-N 3.12Å; L442-L445 HydrophobicContact CD1-CD2 4.25Å; L442-L445 WeakPolarHBondContact O-CB 3.35Å; L442-L445 PolarHBondContact O-N 3.32Å; L442-A446 PolarHBondContact O-N 3.37Å; L442-L612 HydrophobicContact CD1-CD2 3.69Å; L442-R623 HydrophobicContact CD2-CB 4.12Å; L442-R623 HydrophobicContact CD2-CG 4.44Å |
| 443 | H | 91.7 | Very high | 86.8 | Confident | 6.5 Ų | 6.5 | 31.7 Ų | 31.7 | 3% | 0.03 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.2 | -48 | 170.8 | -168.6 | -179.4 | 0 | 0 | 0 | 110.8 | V403 T439 R440 L445 A446 Y447 Y626 | V403-H443 HydrophobicContact CG2-CB 4.2Å; T439-H443 PolarHBondContact O-N 3.36Å; R440-H443 WeakPolarHBondContact O-CB 3.39Å; R440-H443 PolarHBondContact O-N 3.24Å; H443-L445 VanDerWaalsContact C-N 3.3Å; H443-L445 PolarHBondContact O-N 3.08Å; H443-A446 WeakPolarHBondContact O-CB 3.36Å; H443-A446 PolarHBondContact O-N 3.3Å; H443-Y447 AromaticContact CD2-CE2 3.75Å; H443-Y447 AromaticContact NE2-CE2 3.57Å; H443-Y447 WeakPolarHBondContact O-CD2 3.24Å; H443-Y626 HydrophobicContact CB-CD1 4.2Å; H443-Y626 HydrophobicContact CB-CD2 4.11Å; H443-Y626 HydrophobicContact CB-CE1 3.92Å; H443-Y626 HydrophobicContact CB-CE2 3.8Å; H443-Y626 HydrophobicContact CB-CG 4.35Å; H443-Y626 AromaticContact CD2-CD1 3.65Å; H443-Y626 AromaticContact CD2-CE1 3.09Å; H443-Y626 WeakPolarHBondContact CD2-CE1 3.4Å; H443-Y626 AromaticContact CD2-CZ 3.61Å; H443-Y626 AromaticContact CE1-CE1 3.86Å; H443-Y626 AromaticContact CE1-CZ 3.96Å; H443-Y626 PolarHBondContact CE1-OH 3.15Å; H443-Y626 AromaticContact CG-CE1 3.41Å; H443-Y626 VanDerWaalsContact CG-CE1 3.44Å; H443-Y626 AromaticContact CG-CE2 3.98Å; H443-Y626 AromaticContact CG-CZ 3.4Å; H443-Y626 VanDerWaalsContact CG-CZ 3.42Å; H443-Y626 AromaticContact ND1-CE1 3.83Å; H443-Y626 AromaticContact ND1-CZ 3.64Å; H443-Y626 PolarHBondContact ND1-OH 3.03Å; H443-Y626 AromaticContact NE2-CE1 3.48Å; H443-Y626 WeakPolarHBondContact NE2-CE1 3.34Å; H443-Y626 AromaticContact NE2-CZ 3.93Å |
| 444 | A | 91.5 | Very high | 86 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.8 | -35.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L391 V403 I406 L421 R440 P441 A446 Y447 S448 | L391-A444 HydrophobicContact CD1-CB 4.39Å; L391-A444 HydrophobicContact CD2-CB 4.24Å; V403-A444 HydrophobicContact CG2-CB 4.41Å; I406-A444 HydrophobicContact CB-CB 4.4Å; I406-A444 HydrophobicContact CD1-CB 3.59Å; I406-A444 HydrophobicContact CG2-CB 4.36Å; L421-A444 HydrophobicContact CD1-CB 4.09Å; R440-A444 PolarHBondContact O-N 3.18Å; R440-A444 VanDerWaalsContact O-N 3.14Å; P441-A444 PolarHBondContact O-N 3.43Å; A444-A446 VanDerWaalsContact C-N 3.33Å; A444-A446 PolarHBondContact O-N 3.47Å; A444-Y447 PolarHBondContact O-N 2.88Å; A444-S448 VanDerWaalsContact O-CB 3.27Å; A444-S448 WeakPolarHBondContact O-CB 3.33Å; A444-S448 PolarHBondContact O-N 3.23Å; A444-S448 VanDerWaalsContact O-N 3.09Å; A444-S448 PolarHBondContact O-OG 3.15Å |
| 445 | L | 92.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.7 | -171.6 | 73.8 | 0 | 0 | 0 | 111.9 | M418 L421 L422 L425 P441 L442 H443 Y447 S448 I449 L612 | M418-L445 HydrophobicContact CE-CD1 3.53Å; M418-L445 HydrophobicContact SD-CD1 4.34Å; L421-L445 HydrophobicContact CD2-CB 4.33Å; L421-L445 HydrophobicContact CD2-CD1 4.02Å; L422-L445 HydrophobicContact CD2-CD1 3.97Å; L425-L445 HydrophobicContact CD1-CB 4.23Å; L425-L445 HydrophobicContact CD1-CD1 4.4Å; L425-L445 HydrophobicContact CD1-CD2 3.78Å; L425-L445 HydrophobicContact CD1-CG 4.35Å; P441-L445 WeakPolarHBondContact O-CB 3.49Å; P441-L445 PolarHBondContact O-N 2.87Å; L442-L445 HydrophobicContact CD1-CD2 4.25Å; L442-L445 WeakPolarHBondContact O-CB 3.35Å; L442-L445 PolarHBondContact O-N 3.32Å; H443-L445 VanDerWaalsContact C-N 3.3Å; H443-L445 PolarHBondContact O-N 3.08Å; L445-Y447 PolarHBondContact O-N 3.3Å; L445-S448 PolarHBondContact O-N 3.04Å; L445-I449 HydrophobicContact CD1-CD1 4.35Å; L445-I449 WeakPolarHBondContact O-CB 3.32Å; L445-I449 PolarHBondContact O-N 2.96Å; L445-L612 HydrophobicContact CD2-CD2 4.09Å |
| 446 | A | 87 | Confident | 83.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.7 | -36.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L442 H443 A444 Y626 C630 R633 | L442-A446 PolarHBondContact O-N 3.37Å; H443-A446 WeakPolarHBondContact O-CB 3.36Å; H443-A446 PolarHBondContact O-N 3.3Å; A444-A446 VanDerWaalsContact C-N 3.33Å; A444-A446 PolarHBondContact O-N 3.47Å; A446-Y626 HydrophobicContact CB-CD1 4.34Å; A446-C630 WeakPolarHBondContact CA-SG 3.28Å; A446-R633 VanDerWaalsContact O-CD 3.24Å; A446-R633 WeakPolarHBondContact O-CD 3.28Å; A446-R633 VanDerWaalsContact O-CZ 3.24Å; A446-R633 PolarHBondContact O-NE 3.12Å; A446-R633 PolarHBondContact O-NH1 2.89Å |
| 447 | Y | 84.5 | Confident | 81.5 | Confident | 49.5 Ų | 49.5 | 18.9 Ų | 18.9 | 19% | 0.194 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -87.6 | -29.1 | 175.3 | -67.2 | -93.9 | 0 | 0 | 0 | 113.2 | V403 P407 H443 A444 L445 F489 L1253 | V403-Y447 HydrophobicContact CG1-CD2 3.25Å; V403-Y447 HydrophobicContact CG1-CE2 3.51Å; V403-Y447 VanDerWaalsContact CG1-CE2 3.49Å; V403-Y447 HydrophobicContact CG1-CG 4.07Å; P407-Y447 VanDerWaalsContact CG-CB 3.4Å; H443-Y447 AromaticContact CD2-CE2 3.75Å; H443-Y447 AromaticContact NE2-CE2 3.57Å; H443-Y447 WeakPolarHBondContact O-CD2 3.24Å; A444-Y447 PolarHBondContact O-N 2.88Å; L445-Y447 PolarHBondContact O-N 3.3Å; Y447-F489 AromaticContact CD1-CD1 3.95Å; Y447-F489 HydrophobicContact CD1-CD1 3.95Å; Y447-F489 AromaticContact CD1-CE1 3.39Å; Y447-F489 HydrophobicContact CD1-CE1 3.39Å; Y447-F489 HydrophobicContact CD1-CZ 4.18Å; Y447-F489 HydrophobicContact CE1-CD1 4.11Å; Y447-F489 HydrophobicContact CE1-CE1 4.03Å; Y447-F489 HydrophobicContact CG-CE1 4.21Å; Y447-L1253 HydrophobicContact CE2-CD1 3.67Å; Y447-L1253 WeakPolarHBondContact OH-CD1 3.4Å |
| 448 | S | 88.1 | Confident | 79.5 | Confident | 0.5 Ų | 0.5 | 17.8 Ų | 17.8 | 0% | 0.003 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -89.6 | -17.9 | -173.5 | -54.4 | 0 | 0 | 0 | 0 | 115.4 | A444 L445 Q450 S451 | A444-S448 VanDerWaalsContact O-CB 3.27Å; A444-S448 WeakPolarHBondContact O-CB 3.33Å; A444-S448 PolarHBondContact O-N 3.23Å; A444-S448 VanDerWaalsContact O-N 3.09Å; A444-S448 PolarHBondContact O-OG 3.15Å; L445-S448 PolarHBondContact O-N 3.04Å; S448-Q450 PolarHBondContact O-N 3.27Å; S448-S451 PolarHBondContact O-N 2.93Å; S448-S451 VanDerWaalsContact O-N 3.08Å |
| 449 | I | 86.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.4 | -170 | -173.1 | 57.9 | 0 | 0 | 0 | 115 | M418 L445 S451 L452 I453 V608 R633 I634 | M418-I449 HydrophobicContact CE-CD1 4.2Å; L445-I449 HydrophobicContact CD1-CD1 4.35Å; L445-I449 WeakPolarHBondContact O-CB 3.32Å; L445-I449 PolarHBondContact O-N 2.96Å; I449-S451 VanDerWaalsContact C-N 3.25Å; I449-S451 PolarHBondContact O-N 3.1Å; I449-L452 HydrophobicContact CD1-CB 4.29Å; I449-L452 HydrophobicContact CD1-CD2 4.11Å; I449-L452 WeakPolarHBondContact O-CB 3.47Å; I449-L452 PolarHBondContact O-N 3.34Å; I449-I453 HydrophobicContact CG1-CD1 4.16Å; I449-V608 HydrophobicContact CD1-CG1 3.93Å; I449-R633 HydrophobicContact CG2-CB 3.71Å; I449-R633 VanDerWaalsContact CG2-CD 3.46Å; I449-R633 HydrophobicContact CG2-CG 4.19Å; I449-I634 HydrophobicContact CD1-CD1 4.12Å; I449-I634 HydrophobicContact CD1-CG1 4.14Å; I449-I634 HydrophobicContact CG1-CD1 4.05Å; I449-I634 HydrophobicContact CG1-CG1 3.74Å |
| 450 | Q | 79.8 | Confident | 74.9 | Confident | 23 Ų | 23 | 23.6 Ų | 23.6 | 11% | 0.107 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.3 | -37.4 | 178.5 | -63.7 | -178.8 | -4.2 | 0 | 0 | 112 | S448 L452 I453 Y454 | S448-Q450 PolarHBondContact O-N 3.27Å; Q450-L452 PolarHBondContact O-N 3.04Å; Q450-I453 PolarHBondContact O-N 3.12Å; Q450-Y454 HydrophobicContact CB-CE1 4.05Å; Q450-Y454 VanDerWaalsContact CD-OH 3.22Å; Q450-Y454 HydrophobicContact CG-CE1 4.13Å; Q450-Y454 PolarHBondContact O-N 3.34Å; Q450-Y454 VanDerWaalsContact O-N 3.13Å; Q450-Y454 VanDerWaalsContact O-O 3.14Å; Q450-Y454 PolarHBondContact OE1-OH 3.3Å |
| 451 | S | 82.9 | Confident | 72.1 | Confident | 18.5 Ų | 18.5 | 26.7 Ų | 26.7 | 13% | 0.129 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.3 | -13.3 | -177.3 | -55.5 | 0 | 0 | 0 | 0 | 114.6 | C410 P414 S448 I449 | C410-S451 VanDerWaalsContact O-CB 3.28Å; C410-S451 WeakPolarHBondContact O-CB 3.17Å; C410-S451 PolarHBondContact O-OG 2.69Å; P414-S451 WeakPolarHBondContact CB-O 3.34Å; S448-S451 PolarHBondContact O-N 2.93Å; S448-S451 VanDerWaalsContact O-N 3.08Å; I449-S451 VanDerWaalsContact C-N 3.25Å; I449-S451 PolarHBondContact O-N 3.1Å |
| 452 | L | 81.7 | Confident | 69.3 | Low | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -79.8 | -25.4 | 170.5 | -178.9 | 109.8 | 0 | 0 | 0 | 112.3 | M418 L422 I449 Q450 Y598 G601 E604 V608 | M418-L452 HydrophobicContact CE-CB 3.72Å; M418-L452 HydrophobicContact CE-CD1 4.01Å; M418-L452 HydrophobicContact CE-CG 4.47Å; M418-L452 HydrophobicContact CG-CB 4.24Å; M418-L452 HydrophobicContact CG-CD1 3.89Å; L422-L452 HydrophobicContact CD1-CD1 4.06Å; I449-L452 HydrophobicContact CD1-CB 4.29Å; I449-L452 HydrophobicContact CD1-CD2 4.11Å; I449-L452 WeakPolarHBondContact O-CB 3.47Å; I449-L452 PolarHBondContact O-N 3.34Å; Q450-L452 PolarHBondContact O-N 3.04Å; L452-Y598 HydrophobicContact CD1-CD1 4.09Å; L452-Y598 HydrophobicContact CD1-CE1 3.81Å; L452-G601 WeakPolarHBondContact CD1-O 3.27Å; L452-G601 WeakPolarHBondContact CD2-O 3.26Å; L452-G601 WeakPolarHBondContact CG-O 3.38Å; L452-E604 HydrophobicContact CD1-CB 4.32Å; L452-V608 HydrophobicContact CD1-CG2 3.87Å; L452-V608 HydrophobicContact CD2-CB 4.44Å; L452-V608 HydrophobicContact CD2-CG2 3.81Å |
| 453 | I | 71.6 | Confident | 66.3 | Low | 4.5 Ų | 4.5 | 33.9 Ų | 33.9 | 2% | 0.023 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -106 | -57.3 | -162.2 | -59.6 | 169.1 | 0 | 0 | 0 | 111.5 | I449 Q450 R602 I634 S637 T638 W959 | I449-I453 HydrophobicContact CG1-CD1 4.16Å; Q450-I453 PolarHBondContact O-N 3.12Å; I453-R602 PolarHBondContact O-NE 2.97Å; I453-R602 VanDerWaalsContact O-NE 3.09Å; I453-R602 PolarHBondContact O-NH2 2.89Å; I453-I634 HydrophobicContact CD1-CB 4.36Å; I453-I634 HydrophobicContact CD1-CG1 3.85Å; I453-S637 WeakPolarHBondContact CG2-O 3.34Å; I453-T638 HydrophobicContact CB-CG2 4.41Å; I453-T638 HydrophobicContact CD1-CG2 4.29Å; I453-T638 HydrophobicContact CG1-CG2 4.28Å; I453-T638 HydrophobicContact CG2-CG2 3.45Å; I453-W959 HydrophobicContact CG2-CZ3 4.35Å |
| 454 | Y | 65.9 | Low | 63.4 | Low | 15 Ų | 15 | 40.1 Ų | 40.1 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -144.5 | 157.7 | -169.6 | 76 | -89.9 | 0 | 0 | 0 | 111.7 | Q450 R456 F962 L1275 | Q450-Y454 HydrophobicContact CB-CE1 4.05Å; Q450-Y454 VanDerWaalsContact CD-OH 3.22Å; Q450-Y454 HydrophobicContact CG-CE1 4.13Å; Q450-Y454 PolarHBondContact O-N 3.34Å; Q450-Y454 VanDerWaalsContact O-N 3.13Å; Q450-Y454 VanDerWaalsContact O-O 3.14Å; Q450-Y454 PolarHBondContact OE1-OH 3.3Å; Y454-R456 HydrophobicContact CE2-CB 3.92Å; Y454-R456 PolarHBondContact O-N 3.05Å; Y454-F962 HydrophobicContact CD2-CE2 4.43Å; Y454-F962 HydrophobicContact CE2-CE2 4.22Å; Y454-L1275 VanDerWaalsContact OH-CD2 3.22Å; Y454-L1275 WeakPolarHBondContact OH-CD2 3.15Å |
| 455 | V | 56.4 | Low | 60.3 | Low | 20.5 Ų | 20.5 | 45.7 Ų | 45.7 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | trans | -86.1 | 101.4 | -178.2 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | F457 T597 W958 | V455-F457 HydrophobicContact CG1-CB 4.26Å; V455-F457 PolarHBondContact O-N 2.93Å; V455-F457 VanDerWaalsContact O-N 3.15Å; V455-T597 HydrophobicContact CG2-CG2 3.59Å; V455-W958 HydrophobicContact CB-CE3 4.41Å; V455-W958 HydrophobicContact CB-CZ3 4.41Å; V455-W958 HydrophobicContact CG1-CE3 4.32Å; V455-W958 HydrophobicContact CG1-CZ3 3.84Å; V455-W958 HydrophobicContact CG2-CE3 4.31Å; V455-W958 HydrophobicContact CG2-CZ3 4.42Å | ||
| 456 | R | 52.2 | Low | 57.4 | Low | 87 Ų | 87 | 47.3 Ų | 47.3 | 33% | 0.328 | 25% | 0.25 | S | C | . | . | trans | -83.7 | 98.7 | 164.5 | -174.2 | 175.7 | -179.4 | -169.3 | -8.4 | 108 | Y454 P458 S1274 | Y454-R456 HydrophobicContact CE2-CB 3.92Å; Y454-R456 PolarHBondContact O-N 3.05Å; R456-P458 WeakPolarHBondContact O-CD 3.42Å; R456-S1274 PolarHBondContact NE-O 3.41Å | ||
| 457 | F | 49.6 | Very low | 54.6 | Low | 38.5 Ų | 38.5 | 50 Ų | 50 | 17% | 0.169 | 27% | 0.269 | C | S | . | . | trans | -90.4 | 108 | -175.7 | -151.1 | -72.6 | 0 | 0 | 0 | 112.6 | F353 V455 L459 Y460 L593 F596 W958 | F353-F457 HydrophobicContact CE1-CE1 4.46Å; F353-F457 HydrophobicContact CE1-CZ 4.01Å; F353-F457 HydrophobicContact CE2-CE1 4.2Å; F353-F457 AromaticContact CE2-CZ 3.88Å; F353-F457 HydrophobicContact CE2-CZ 3.88Å; F353-F457 HydrophobicContact CZ-CE1 4.17Å; F353-F457 AromaticContact CZ-CZ 3.53Å; F353-F457 HydrophobicContact CZ-CZ 3.53Å; V455-F457 HydrophobicContact CG1-CB 4.26Å; V455-F457 PolarHBondContact O-N 2.93Å; V455-F457 VanDerWaalsContact O-N 3.15Å; F457-L459 VanDerWaalsContact C-N 3.3Å; F457-L459 HydrophobicContact CB-CD1 4.37Å; F457-L459 HydrophobicContact CD1-CB 4.1Å; F457-L459 HydrophobicContact CD1-CD1 3.25Å; F457-L459 HydrophobicContact CD1-CD2 4.21Å; F457-L459 HydrophobicContact CD1-CG 3.23Å; F457-L459 HydrophobicContact CD2-CD1 4.23Å; F457-L459 HydrophobicContact CE1-CB 4.2Å; F457-L459 HydrophobicContact CE1-CD1 3.48Å; F457-L459 VanDerWaalsContact CE1-CD1 3.48Å; F457-L459 HydrophobicContact CE1-CD2 3.82Å; F457-L459 HydrophobicContact CE1-CG 3.34Å; F457-L459 HydrophobicContact CE2-CD1 4.43Å; F457-L459 HydrophobicContact CG-CD1 3.63Å; F457-L459 HydrophobicContact CG-CG 4.11Å; F457-L459 HydrophobicContact CZ-CD1 4.07Å; F457-L459 HydrophobicContact CZ-CG 4.31Å; F457-L459 PolarHBondContact O-N 3.37Å; F457-Y460 HydrophobicContact CB-CD2 4.09Å; F457-Y460 HydrophobicContact CD1-CD2 4.09Å; F457-Y460 HydrophobicContact CG-CD2 4.45Å; F457-Y460 PolarHBondContact O-N 3.12Å; F457-L593 HydrophobicContact CE2-CD2 3.9Å; F457-L593 HydrophobicContact CZ-CD2 4.19Å; F457-F596 HydrophobicContact CD2-CB 3.93Å; F457-F596 HydrophobicContact CD2-CD1 4.4Å; F457-F596 AromaticContact CD2-CD2 3.55Å; F457-F596 HydrophobicContact CD2-CD2 3.55Å; F457-F596 HydrophobicContact CD2-CE2 4.11Å; F457-F596 AromaticContact CD2-CG 3.75Å; F457-F596 HydrophobicContact CD2-CG 3.75Å; F457-F596 HydrophobicContact CE2-CB 3.95Å; F457-F596 AromaticContact CE2-CD1 3.57Å; F457-F596 HydrophobicContact CE2-CD1 3.57Å; F457-F596 AromaticContact CE2-CD2 3.12Å; F457-F596 HydrophobicContact CE2-CD2 3.12Å; F457-F596 AromaticContact CE2-CE1 3.72Å; F457-F596 HydrophobicContact CE2-CE1 3.72Å; F457-F596 AromaticContact CE2-CE2 3.31Å; F457-F596 HydrophobicContact CE2-CE2 3.31Å; F457-F596 AromaticContact CE2-CG 3.29Å; F457-F596 HydrophobicContact CE2-CG 3.29Å; F457-F596 AromaticContact CE2-CZ 3.62Å; F457-F596 HydrophobicContact CE2-CZ 3.62Å; F457-F596 HydrophobicContact CZ-CD1 4.43Å; F457-F596 HydrophobicContact CZ-CD2 4.02Å; F457-F596 HydrophobicContact CZ-CE1 4.14Å; F457-F596 AromaticContact CZ-CE2 3.73Å; F457-F596 HydrophobicContact CZ-CE2 3.73Å; F457-F596 HydrophobicContact CZ-CG 4.39Å; F457-F596 AromaticContact CZ-CZ 3.81Å; F457-F596 HydrophobicContact CZ-CZ 3.81Å; F457-W958 HydrophobicContact CD2-CZ3 4.12Å; F457-W958 HydrophobicContact CE2-CZ3 4.2Å | ||
| 458 | P | 48.7 | Very low | 51.8 | Low | 56 Ų | 56 | 50 Ų | 50 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | trans | -80.2 | 31.8 | -176.3 | 34.6 | -35.3 | 0 | 0 | 0 | 112.8 | I411 R456 | I411-P458 HydrophobicContact CG2-CB 3.54Å; I411-P458 HydrophobicContact CG2-CG 3.63Å; R456-P458 WeakPolarHBondContact O-CD 3.42Å | ||
| 459 | L | 44.9 | Very low | 49 | Very low | 4.5 Ų | 4.5 | 51.4 Ų | 51.4 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 0.3 | -178.1 | -65.3 | 164.6 | 0 | 0 | 0 | 112.8 | R349 L352 F353 F457 L593 F596 | R349-L459 HydrophobicContact CB-CB 4.39Å; R349-L459 HydrophobicContact CB-CD2 3.81Å; R349-L459 HydrophobicContact CG-CB 4.23Å; L352-L459 HydrophobicContact CD1-CD1 4.03Å; F353-L459 HydrophobicContact CD2-CB 3.86Å; F353-L459 HydrophobicContact CD2-CD1 3.66Å; F353-L459 HydrophobicContact CD2-CG 4.4Å; F353-L459 HydrophobicContact CE2-CB 4.33Å; F353-L459 HydrophobicContact CE2-CD1 3.61Å; F457-L459 VanDerWaalsContact C-N 3.3Å; F457-L459 HydrophobicContact CB-CD1 4.37Å; F457-L459 HydrophobicContact CD1-CB 4.1Å; F457-L459 HydrophobicContact CD1-CD1 3.25Å; F457-L459 HydrophobicContact CD1-CD2 4.21Å; F457-L459 HydrophobicContact CD1-CG 3.23Å; F457-L459 HydrophobicContact CD2-CD1 4.23Å; F457-L459 HydrophobicContact CE1-CB 4.2Å; F457-L459 HydrophobicContact CE1-CD1 3.48Å; F457-L459 VanDerWaalsContact CE1-CD1 3.48Å; F457-L459 HydrophobicContact CE1-CD2 3.82Å; F457-L459 HydrophobicContact CE1-CG 3.34Å; F457-L459 HydrophobicContact CE2-CD1 4.43Å; F457-L459 HydrophobicContact CG-CD1 3.63Å; F457-L459 HydrophobicContact CG-CG 4.11Å; F457-L459 HydrophobicContact CZ-CD1 4.07Å; F457-L459 HydrophobicContact CZ-CG 4.31Å; F457-L459 PolarHBondContact O-N 3.37Å; L459-L593 HydrophobicContact CD1-CD2 4.36Å; L459-F596 HydrophobicContact CD1-CE2 3.94Å |
| 460 | Y | 39.1 | Very low | 46.5 | Very low | 135 Ų | 135 | 54.5 Ų | 54.5 | 53% | 0.529 | 31% | 0.305 | S | S | . | . | trans | -73.7 | 133.5 | 172.4 | -100.4 | -87.3 | 0 | 0 | 0 | 109.7 | F457 R462 T1278 | F457-Y460 HydrophobicContact CB-CD2 4.09Å; F457-Y460 HydrophobicContact CD1-CD2 4.09Å; F457-Y460 HydrophobicContact CG-CD2 4.45Å; F457-Y460 PolarHBondContact O-N 3.12Å; Y460-R462 PolarHBondContact O-N 3.1Å; Y460-T1278 HydrophobicContact CD2-CG2 4.24Å; Y460-T1278 HydrophobicContact CE2-CG2 4.49Å | ||
| 461 | P | 34.7 | Very low | 44.3 | Very low | 97.5 Ų | 97.5 | 56.8 Ų | 56.8 | 63% | 0.633 | 31% | 0.313 | S | S | * | . | trans | -57.1 | 136.1 | 171.2 | 0.3 | -0.3 | 0 | 0 | 0 | 110.2 | ||||
| 462 | R | 33.9 | Very low | 41.7 | Very low | 122.5 Ų | 122.5 | 57.8 Ų | 57.8 | 46% | 0.462 | 32% | 0.32 | S | S | . | . | trans | -51.2 | 146.3 | 174.7 | -81.2 | 176.5 | 170.4 | 153 | -5.1 | 111.1 | Y460 S466 S469 | Y460-R462 PolarHBondContact O-N 3.1Å; R462-S466 WeakPolarHBondContact CB-OG 3.28Å; R462-S466 WeakPolarHBondContact CD-O 3.21Å; R462-S466 WeakPolarHBondContact CD-OG 3.09Å; R462-S469 PolarHBondContact NH1-O 3.08Å; R462-S469 PolarHBondContact NH1-OG 3.24Å | ||
| 463 | G | 29.4 | Very low | 39.3 | Very low | 31 Ų | 31 | 59.5 Ų | 59.5 | 32% | 0.32 | 33% | 0.33 | S | S | . | . | trans | -57 | 171 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S465 S466 | G463-S465 PolarHBondContact O-N 3.23Å; G463-S465 VanDerWaalsContact O-N 3.1Å; G463-S466 PolarHBondContact O-N 3.06Å | ||
| 464 | L | 29.9 | Very low | 37.2 | Very low | 137.5 Ų | 137.5 | 63.1 Ų | 63.1 | 72% | 0.72 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -54.2 | -21.2 | -165 | -152.9 | 73.2 | 0 | 0 | 0 | 115.7 | S466 S467 | L464-S466 PolarHBondContact O-N 3.37Å; L464-S467 WeakPolarHBondContact O-CB 3.31Å; L464-S467 PolarHBondContact O-N 2.92Å; L464-S467 PolarHBondContact O-OG 3.17Å; L464-S467 VanDerWaalsContact O-OG 3.11Å |
| 465 | S | 27.4 | Very low | 35.4 | Very low | 116 Ų | 116 | 68.4 Ų | 68.4 | 81% | 0.811 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -70.6 | -28.7 | 177.2 | -53.4 | 0 | 0 | 0 | 0 | 114.1 | G463 S468 | G463-S465 PolarHBondContact O-N 3.23Å; G463-S465 VanDerWaalsContact O-N 3.1Å; S465-S468 PolarHBondContact O-OG 2.72Å |
| 466 | S | 31.4 | Very low | 33.9 | Very low | 33.5 Ų | 33.5 | 71 Ų | 71 | 23% | 0.234 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 27.4 | 178.8 | -4.4 | 0 | 0 | 0 | 0 | 113.1 | R462 G463 L464 S468 S469 | R462-S466 WeakPolarHBondContact CB-OG 3.28Å; R462-S466 WeakPolarHBondContact CD-O 3.21Å; R462-S466 WeakPolarHBondContact CD-OG 3.09Å; G463-S466 PolarHBondContact O-N 3.06Å; L464-S466 PolarHBondContact O-N 3.37Å; S466-S468 PolarHBondContact O-N 3.08Å; S466-S469 PolarHBondContact O-N 2.82Å; S466-S469 PolarHBondContact O-OG 2.76Å |
| 467 | S | 27.9 | Very low | 32.7 | Very low | 57 Ų | 57 | 70.5 Ų | 70.5 | 40% | 0.399 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -4.3 | 160 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | S108 L464 S469 | S108-S467 PolarHBondContact O-OG 2.9Å; S108-S467 VanDerWaalsContact O-OG 3.05Å; L464-S467 WeakPolarHBondContact O-CB 3.31Å; L464-S467 PolarHBondContact O-N 2.92Å; L464-S467 PolarHBondContact O-OG 3.17Å; L464-S467 VanDerWaalsContact O-OG 3.11Å; S467-S469 PolarHBondContact O-N 2.74Å |
| 468 | S | 26.9 | Very low | 31.6 | Very low | 49 Ų | 49 | 75.8 Ų | 75.8 | 34% | 0.343 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -61.5 | 38.7 | 158.1 | 116.1 | 0 | 0 | 0 | 0 | 110.1 | S465 S466 V470 Y471 S472 D485 | S465-S468 PolarHBondContact O-OG 2.72Å; S466-S468 PolarHBondContact O-N 3.08Å; S468-V470 PolarHBondContact O-N 3.11Å; S468-Y471 PolarHBondContact O-N 2.75Å; S468-S472 PolarHBondContact O-N 3.46Å; S468-D485 WeakPolarHBondContact CB-OD2 3.44Å; S468-D485 PolarHBondContact OG-OD2 3.02Å |
| 469 | S | 29.3 | Very low | 30.5 | Very low | 31 Ų | 31 | 79.7 Ų | 79.7 | 22% | 0.217 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 72.2 | -161.2 | 114.6 | 0 | 0 | 0 | 0 | 112.9 | R462 S466 S467 Y471 S472 E475 | R462-S469 PolarHBondContact NH1-O 3.08Å; R462-S469 PolarHBondContact NH1-OG 3.24Å; S466-S469 PolarHBondContact O-N 2.82Å; S466-S469 PolarHBondContact O-OG 2.76Å; S467-S469 PolarHBondContact O-N 2.74Å; S469-Y471 PolarHBondContact O-N 3.43Å; S469-Y471 VanDerWaalsContact OG-C 3.27Å; S469-Y471 WeakPolarHBondContact OG-CA 3.42Å; S469-Y471 PolarHBondContact OG-N 3.06Å; S469-Y471 VanDerWaalsContact OG-N 3.09Å; S469-S472 WeakPolarHBondContact CB-OG 3.32Å; S469-S472 PolarHBondContact O-N 3.32Å; S469-S472 PolarHBondContact O-OG 2.85Å; S469-S472 PolarHBondContact OG-N 3.14Å; S469-E475 WeakPolarHBondContact CB-OE1 3.21Å |
| 470 | V | 34 | Very low | 29.6 | Very low | 65 Ų | 65 | 84.6 Ų | 84.6 | 39% | 0.394 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.8 | 166.6 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | R243 S468 | R243-V470 PolarHBondContact NH2-O 2.9Å; S468-V470 PolarHBondContact O-N 3.11Å |
| 471 | Y | 33.5 | Very low | 29 | Very low | 71 Ų | 71 | 84.6 Ų | 84.6 | 28% | 0.278 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | 11.6 | 179.1 | -60.7 | -75.3 | 0 | 0 | 0 | 114.5 | V158 Y203 L361 S468 S469 V473 | V158-Y471 WeakPolarHBondContact CG1-O 3.23Å; Y203-Y471 AromaticContact CD1-CD1 3.79Å; Y203-Y471 HydrophobicContact CD1-CD1 3.79Å; Y203-Y471 AromaticContact CD1-CE1 3.78Å; Y203-Y471 HydrophobicContact CD1-CE1 3.78Å; Y203-Y471 HydrophobicContact CD1-CG 4.22Å; Y203-Y471 AromaticContact CE1-CD1 3.61Å; Y203-Y471 HydrophobicContact CE1-CD1 3.61Å; Y203-Y471 AromaticContact CE1-CD2 3.93Å; Y203-Y471 HydrophobicContact CE1-CD2 3.93Å; Y203-Y471 HydrophobicContact CE1-CE1 4Å; Y203-Y471 HydrophobicContact CE1-CE2 4.28Å; Y203-Y471 AromaticContact CE1-CG 3.58Å; Y203-Y471 HydrophobicContact CE1-CG 3.58Å; L361-Y471 HydrophobicContact CD1-CD2 4.32Å; L361-Y471 HydrophobicContact CD1-CE2 3.66Å; S468-Y471 PolarHBondContact O-N 2.75Å; S469-Y471 PolarHBondContact O-N 3.43Å; S469-Y471 VanDerWaalsContact OG-C 3.27Å; S469-Y471 WeakPolarHBondContact OG-CA 3.42Å; S469-Y471 PolarHBondContact OG-N 3.06Å; S469-Y471 VanDerWaalsContact OG-N 3.09Å; Y471-V473 PolarHBondContact O-N 3.03Å; Y471-V473 VanDerWaalsContact O-N 3.07Å |
| 472 | S | 28.3 | Very low | 28.5 | Very low | 40.5 Ų | 40.5 | 87.3 Ų | 87.3 | 28% | 0.283 | 48% | 0.477 | S | S | . | . | trans | -73.6 | 113 | 172.7 | 117.9 | 0 | 0 | 0 | 0 | 110.9 | S468 S469 | S468-S472 PolarHBondContact O-N 3.46Å; S469-S472 WeakPolarHBondContact CB-OG 3.32Å; S469-S472 PolarHBondContact O-N 3.32Å; S469-S472 PolarHBondContact O-OG 2.85Å; S469-S472 PolarHBondContact OG-N 3.14Å | ||
| 473 | V | 31.3 | Very low | 28 | Very low | 37 Ų | 37 | 83.3 Ų | 83.3 | 22% | 0.224 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -86.2 | 58.7 | 169.8 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | V158 L197 F202 R236 Y240 Y471 | V158-V473 HydrophobicContact CG1-CB 3.94Å; V158-V473 HydrophobicContact CG1-CG2 3.96Å; V158-V473 HydrophobicContact CG2-CB 3.97Å; L197-V473 HydrophobicContact CB-CG1 4Å; L197-V473 HydrophobicContact CD2-CG1 4.26Å; F202-V473 HydrophobicContact CD2-CG2 4.22Å; R236-V473 PolarHBondContact NH2-O 3.14Å; Y240-V473 HydrophobicContact CD2-CG1 4.33Å; Y240-V473 HydrophobicContact CD2-CG2 4.42Å; Y240-V473 HydrophobicContact CE1-CG2 4.47Å; Y240-V473 HydrophobicContact CE2-CB 4.28Å; Y240-V473 HydrophobicContact CE2-CG1 3.65Å; Y240-V473 HydrophobicContact CE2-CG2 4.24Å; Y240-V473 PolarHBondContact OH-O 2.86Å; Y471-V473 PolarHBondContact O-N 3.03Å; Y471-V473 VanDerWaalsContact O-N 3.07Å |
| 474 | N | 26.1 | Very low | 27.8 | Very low | 80 Ų | 80 | 87.4 Ų | 87.4 | 43% | 0.428 | 49% | 0.487 | S | S | . | . | trans | 164.3 | 77.7 | -179.7 | -59.1 | -25.9 | 0 | 0 | 0 | 112.3 | Q154 Q155 T198 R236 | Q154-N474 PolarHBondContact OE1-ND2 3.02Å; Q155-N474 WeakPolarHBondContact CG-O 3.44Å; Q155-N474 PolarHBondContact NE2-O 3.05Å; T198-N474 PolarHBondContact OG1-ND2 3.45Å; R236-N474 PolarHBondContact NH2-OD1 3.04Å | ||
| 475 | E | 27.6 | Very low | 27.6 | Very low | 126.5 Ų | 126.5 | 85.4 Ų | 85.4 | 59% | 0.591 | 48% | 0.477 | S | S | * | . | trans | -98.4 | 132.9 | 152.1 | -65.3 | -175.3 | 157 | 0 | 0 | 107.2 | S469 | S469-E475 WeakPolarHBondContact CB-OE1 3.21Š| ||
| 476 | D | 26.7 | Very low | 27.5 | Very low | 74.5 Ų | 74.5 | 83.5 Ų | 83.5 | 40% | 0.398 | 46% | 0.458 | S | S | . | . | trans | -68.4 | 136.2 | 175.9 | -69.4 | -52 | 0 | 0 | 0 | 108.9 | V151 D478 K479 | V151-D476 WeakPolarHBondContact CG1-OD1 3.41Å; D476-D478 PolarHBondContact O-N 3.37Å; D476-D478 VanDerWaalsContact O-N 3.07Å; D476-K479 HydrophobicContact CB-CB 4.21Å; D476-K479 HydrophobicContact CB-CD 4.31Å; D476-K479 HydrophobicContact CB-CG 4.1Å; D476-K479 PolarHBondContact O-N 3.12Å; D476-K479 VanDerWaalsContact O-N 3.08Å; D476-K479 IonicContact OD2-NZ 3.71Å; D476-K479 PolarHBondContact OD2-NZ 3.46Å | ||
| 477 | P | 26.1 | Very low | 27.2 | Very low | 76.5 Ų | 76.5 | 87.6 Ų | 87.6 | 50% | 0.497 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -61.2 | -29.1 | -179.7 | 24.6 | -32.9 | 0 | 0 | 0 | 112.4 | E281 K479 L480 | E281-P477 HydrophobicContact CG-CB 4.44Å; P477-K479 PolarHBondContact O-N 2.86Å; P477-L480 HydrophobicContact CB-CD1 4.37Å; P477-L480 WeakPolarHBondContact O-CB 3.45Å; P477-L480 WeakPolarHBondContact O-CD1 3.42Å; P477-L480 WeakPolarHBondContact O-CG 3.32Å; P477-L480 PolarHBondContact O-N 3.46Å; P477-L480 VanDerWaalsContact O-N 3.12Å |
| 478 | D | 27.1 | Very low | 27.4 | Very low | 151 Ų | 151 | 89.2 Ų | 89.2 | 81% | 0.807 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -73.6 | 7.7 | 178.9 | -47.1 | -25.9 | 0 | 0 | 0 | 113.8 | D476 | D476-D478 PolarHBondContact O-N 3.37Å; D476-D478 VanDerWaalsContact O-N 3.07Å |
| 479 | K | 26 | Very low | 27.6 | Very low | 137.5 Ų | 137.5 | 89.9 Ų | 89.9 | 60% | 0.598 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -129.5 | 24.1 | 178.6 | -68 | -172.5 | -179.1 | 152.5 | 0 | 114.4 | D476 P477 E481 | D476-K479 HydrophobicContact CB-CB 4.21Å; D476-K479 HydrophobicContact CB-CD 4.31Å; D476-K479 HydrophobicContact CB-CG 4.1Å; D476-K479 PolarHBondContact O-N 3.12Å; D476-K479 VanDerWaalsContact O-N 3.08Å; D476-K479 IonicContact OD2-NZ 3.71Å; D476-K479 PolarHBondContact OD2-NZ 3.46Å; P477-K479 PolarHBondContact O-N 2.86Å; K479-E481 PolarHBondContact O-N 3.2Å |
| 480 | L | 25.2 | Very low | 27.4 | Very low | 107.5 Ų | 107.5 | 91 Ų | 91 | 56% | 0.563 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -4.5 | 178.6 | -75.3 | 167.7 | 0 | 0 | 0 | 115 | P477 | P477-L480 HydrophobicContact CB-CD1 4.37Å; P477-L480 WeakPolarHBondContact O-CB 3.45Å; P477-L480 WeakPolarHBondContact O-CD1 3.42Å; P477-L480 WeakPolarHBondContact O-CG 3.32Å; P477-L480 PolarHBondContact O-N 3.46Å; P477-L480 VanDerWaalsContact O-N 3.12Å |
| 481 | E | 25.6 | Very low | 26.9 | Very low | 135 Ų | 135 | 91.1 Ų | 91.1 | 63% | 0.631 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -19.8 | -179.8 | -63.2 | -165 | 139.1 | 0 | 0 | 115 | K479 G483 D486 D490 D492 | K479-E481 PolarHBondContact O-N 3.2Å; E481-G483 VanDerWaalsContact C-N 3.27Å; E481-G483 PolarHBondContact O-N 2.94Å; E481-G483 VanDerWaalsContact O-N 3.11Å; E481-D486 VanDerWaalsContact O-CB 3.26Å; E481-D486 WeakPolarHBondContact O-CB 3.16Å; E481-D490 HydrophobicContact CB-CB 4.37Å; E481-D490 HydrophobicContact CG-CB 4.26Å; E481-D492 PolarHBondContact OE1-N 2.92Å |
| 482 | D | 25.1 | Very low | 26.7 | Very low | 154.5 Ų | 154.5 | 91.6 Ų | 91.6 | 83% | 0.826 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -103.6 | 29.3 | -172.8 | -96.6 | -30.4 | 0 | 0 | 0 | 113.9 | ||
| 483 | G | 23.6 | Very low | 26.5 | Very low | 37.5 Ų | 37.5 | 95.5 Ų | 95.5 | 39% | 0.387 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -100 | 31.2 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | E481 D485 D486 | E481-G483 VanDerWaalsContact C-N 3.27Å; E481-G483 PolarHBondContact O-N 2.94Å; E481-G483 VanDerWaalsContact O-N 3.11Å; G483-D485 PolarHBondContact O-N 2.93Å; G483-D485 VanDerWaalsContact O-N 3.14Å; G483-D486 PolarHBondContact N-OD2 2.89Å |
| 484 | I | 25.2 | Very low | 26.3 | Very low | 117 Ų | 117 | 98.5 Ų | 98.5 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | trans | -113.4 | 62.9 | -169.1 | -44.2 | 177.2 | 0 | 0 | 0 | 111.7 | R342 D486 | R342-I484 HydrophobicContact CG-CD1 4.32Å; I484-D486 WeakPolarHBondContact CA-OD2 3.16Å; I484-D486 WeakPolarHBondContact CB-OD2 3.21Å; I484-D486 PolarHBondContact N-OD2 3.04Å; I484-D486 PolarHBondContact O-N 3.12Å | ||
| 485 | D | 25.5 | Very low | 26.2 | Very low | 96 Ų | 96 | 101.3 Ų | 101.3 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | trans | 133.1 | 97.2 | 179 | -73.8 | -34.9 | 0 | 0 | 0 | 112.1 | S468 G483 E487 | S468-D485 WeakPolarHBondContact CB-OD2 3.44Å; S468-D485 PolarHBondContact OG-OD2 3.02Å; G483-D485 PolarHBondContact O-N 2.93Å; G483-D485 VanDerWaalsContact O-N 3.14Å; D485-E487 VanDerWaalsContact C-N 3.33Å; D485-E487 PolarHBondContact O-N 3.11Å; D485-E487 VanDerWaalsContact O-N 3.16Å | ||
| 486 | D | 25 | Very low | 26 | Very low | 76 Ų | 76 | 99.5 Ų | 99.5 | 41% | 0.406 | 53% | 0.531 | S | S | . | . | trans | -8.1 | 14.5 | -173 | -78 | -25.4 | 0 | 0 | 0 | 117.7 | E481 G483 I484 Y488 F489 | E481-D486 VanDerWaalsContact O-CB 3.26Å; E481-D486 WeakPolarHBondContact O-CB 3.16Å; G483-D486 PolarHBondContact N-OD2 2.89Å; I484-D486 WeakPolarHBondContact CA-OD2 3.16Å; I484-D486 WeakPolarHBondContact CB-OD2 3.21Å; I484-D486 PolarHBondContact N-OD2 3.04Å; I484-D486 PolarHBondContact O-N 3.12Å; D486-Y488 PolarHBondContact O-N 3.03Å; D486-F489 VanDerWaalsContact CB-O 3.3Å; D486-F489 WeakPolarHBondContact CB-O 3.25Å; D486-F489 CarbonylContact O-C 3.55Å; D486-F489 PolarHBondContact O-N 3.4Å | ||
| 487 | E | 25.9 | Very low | 25.9 | Very low | 120.5 Ų | 120.5 | 104.4 Ų | 104.4 | 56% | 0.563 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.3 | -5.2 | 169 | -73.9 | -163.3 | 170.3 | 0 | 0 | 117.5 | D485 N491 | D485-E487 VanDerWaalsContact C-N 3.33Å; D485-E487 PolarHBondContact O-N 3.11Å; D485-E487 VanDerWaalsContact O-N 3.16Å; E487-N491 WeakPolarHBondContact CA-ND2 3.43Å; E487-N491 WeakPolarHBondContact CB-ND2 3.37Å; E487-N491 VanDerWaalsContact CG-ND2 3.32Å; E487-N491 WeakPolarHBondContact CG-ND2 3.09Å; E487-N491 PolarHBondContact O-ND2 2.86Å |
| 488 | Y | 31.2 | Very low | 25.8 | Very low | 90 Ų | 90 | 108.1 Ų | 108.1 | 35% | 0.353 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.3 | -13.2 | 179.3 | -125.7 | -95.6 | 0 | 0 | 0 | 114.7 | D486 P1270 | D486-Y488 PolarHBondContact O-N 3.03Å; Y488-P1270 HydrophobicContact CD2-CB 4.39Å; Y488-P1270 HydrophobicContact CE2-CB 3.44Å; Y488-P1270 VanDerWaalsContact CE2-CB 3.44Å; Y488-P1270 HydrophobicContact CE2-CG 4.06Å |
| 489 | F | 30.9 | Very low | 25.5 | Very low | 63 Ų | 63 | 103.7 Ų | 103.7 | 28% | 0.276 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -141.2 | 52.3 | -173.3 | -69.9 | -76.6 | 0 | 0 | 0 | 112.5 | M408 Y447 D486 | M408-F489 HydrophobicContact CE-CD1 3.77Å; M408-F489 HydrophobicContact CE-CD2 4.11Å; M408-F489 HydrophobicContact CE-CE1 3.29Å; M408-F489 HydrophobicContact CE-CE2 3.66Å; M408-F489 HydrophobicContact CE-CG 4.18Å; M408-F489 HydrophobicContact CE-CZ 3.24Å; M408-F489 HydrophobicContact CG-CZ 4.44Å; Y447-F489 AromaticContact CD1-CD1 3.95Å; Y447-F489 HydrophobicContact CD1-CD1 3.95Å; Y447-F489 AromaticContact CD1-CE1 3.39Å; Y447-F489 HydrophobicContact CD1-CE1 3.39Å; Y447-F489 HydrophobicContact CD1-CZ 4.18Å; Y447-F489 HydrophobicContact CE1-CD1 4.11Å; Y447-F489 HydrophobicContact CE1-CE1 4.03Å; Y447-F489 HydrophobicContact CG-CE1 4.21Å; D486-F489 VanDerWaalsContact CB-O 3.3Å; D486-F489 WeakPolarHBondContact CB-O 3.25Å; D486-F489 CarbonylContact O-C 3.55Å; D486-F489 PolarHBondContact O-N 3.4Å |
| 490 | D | 26 | Very low | 25.4 | Very low | 55 Ų | 55 | 105.1 Ų | 105.1 | 29% | 0.294 | 57% | 0.572 | S | S | . | * | S | Bend | trans | 170.7 | 71.4 | -177.1 | -56 | -26.9 | 0 | 0 | 0 | 114.4 | R342 K404 E481 | R342-D490 IonicContact CZ-OD2 2.7Å; R342-D490 IonicContact NH2-OD2 3.85Å; R342-D490 PolarHBondContact NH2-OD2 2.85Å; K404-D490 VanDerWaalsContact CD-OD1 3.27Å; K404-D490 WeakPolarHBondContact CD-OD1 3.4Å; K404-D490 WeakPolarHBondContact CE-OD1 3.19Å; K404-D490 IonicContact NZ-OD1 3.28Å; K404-D490 PolarHBondContact NZ-OD1 3.13Å; E481-D490 HydrophobicContact CB-CB 4.37Å; E481-D490 HydrophobicContact CG-CB 4.26Å |
| 491 | N | 23.8 | Very low | 25.3 | Very low | 67 Ų | 67 | 109.3 Ų | 109.3 | 36% | 0.358 | 59% | 0.585 | S | S | . | * | trans | -136.8 | 30.3 | 171 | -116.3 | 44.8 | 0 | 0 | 0 | 110.3 | E487 D493 | E487-N491 WeakPolarHBondContact CA-ND2 3.43Å; E487-N491 WeakPolarHBondContact CB-ND2 3.37Å; E487-N491 VanDerWaalsContact CG-ND2 3.32Å; E487-N491 WeakPolarHBondContact CG-ND2 3.09Å; E487-N491 PolarHBondContact O-ND2 2.86Å; N491-D493 PolarHBondContact ND2-OD2 3.23Å; N491-D493 PolarHBondContact O-N 3.06Å | ||
| 492 | D | 28 | Very low | 25.1 | Very low | 81.5 Ų | 81.5 | 111.2 Ų | 111.2 | 44% | 0.436 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -108.3 | 79 | 168.6 | -62.1 | -66.2 | 0 | 0 | 0 | 106.3 | K404 E481 I494 | K404-D492 WeakPolarHBondContact CE-OD2 3.45Å; K404-D492 IonicContact NZ-OD2 3.27Å; K404-D492 PolarHBondContact NZ-OD2 3.25Å; E481-D492 PolarHBondContact OE1-N 2.92Å; D492-I494 VanDerWaalsContact C-N 3.34Å; D492-I494 PolarHBondContact O-N 3.28Å |
| 493 | D | 25.2 | Very low | 24.9 | Very low | 123 Ų | 123 | 111.9 Ų | 111.9 | 66% | 0.658 | 59% | 0.594 | S | S | * | * | trans | -55.7 | 110.7 | 166.3 | -77.7 | -60.2 | 0 | 0 | 0 | 108 | N491 D495 | N491-D493 PolarHBondContact ND2-OD2 3.23Å; N491-D493 PolarHBondContact O-N 3.06Å; D493-D495 PolarHBondContact O-N 3.04Å | ||
| 494 | I | 26.1 | Very low | 24.8 | Very low | 98.5 Ų | 98.5 | 122 Ų | 122 | 51% | 0.505 | 62% | 0.621 | S | S | . | * | trans | -71.5 | 94.5 | 170.5 | -61 | 170.5 | 0 | 0 | 0 | 105.6 | D492 A496 | D492-I494 VanDerWaalsContact C-N 3.34Å; D492-I494 PolarHBondContact O-N 3.28Å; I494-A496 PolarHBondContact O-N 2.92Å; I494-A496 VanDerWaalsContact O-N 3.16Å | ||
| 495 | D | 23.9 | Very low | 24.6 | Very low | 139.5 Ų | 139.5 | 124.9 Ų | 124.9 | 75% | 0.746 | 63% | 0.632 | S | S | * | * | trans | -51.4 | 109.7 | 165.7 | -83 | -49.2 | 0 | 0 | 0 | 107.7 | D493 E497 | D493-D495 PolarHBondContact O-N 3.04Å; D495-E497 HydrophobicContact CB-CG 4.39Å; D495-E497 PolarHBondContact O-N 3.2Å | ||
| 496 | A | 23.8 | Very low | 24.3 | Very low | 89.5 Ų | 89.5 | 123.3 Ų | 123.3 | 74% | 0.74 | 64% | 0.638 | S | S | * | * | trans | -75.4 | 72.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | I494 D498 | I494-A496 PolarHBondContact O-N 2.92Å; I494-A496 VanDerWaalsContact O-N 3.16Å; A496-D498 PolarHBondContact O-N 3.18Å | ||
| 497 | E | 23.8 | Very low | 24.2 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | -55.5 | 109.5 | 163.6 | -70.7 | -166.7 | 144.5 | 0 | 0 | 107 | D495 G499 | D495-E497 HydrophobicContact CB-CG 4.39Å; D495-E497 PolarHBondContact O-N 3.2Å; E497-G499 PolarHBondContact O-N 3.26Å | ||
| 498 | D | 24.6 | Very low | 23.9 | Very low | 155.5 Ų | 155.5 | 129.9 Ų | 129.9 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | trans | -65.2 | 73.3 | 167 | -87 | -37.4 | 0 | 0 | 0 | 108.7 | A496 D500 | A496-D498 PolarHBondContact O-N 3.18Å; D498-D500 PolarHBondContact O-N 3.47Å | ||
| 499 | G | 22 | Very low | 23.5 | Very low | 58.5 Ų | 58.5 | 132.2 Ų | 132.2 | 60% | 0.603 | 69% | 0.69 | S | S | * | * | trans | -79.6 | 6.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E497 K501 | E497-G499 PolarHBondContact O-N 3.26Å; G499-K501 PolarHBondContact O-N 3.2Å; G499-K501 VanDerWaalsContact O-N 3.09Å | ||
| 500 | D | 23.3 | Very low | 23.1 | Very low | 166.5 Ų | 166.5 | 137.2 Ų | 137.2 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | trans | -83.9 | 47.8 | 171.9 | -80.3 | -11 | 0 | 0 | 0 | 111.4 | D498 E502 | D498-D500 PolarHBondContact O-N 3.47Å; D500-E502 PolarHBondContact O-N 2.99Å | ||
| 501 | K | 22.2 | Very low | 22.9 | Very low | 195 Ų | 195 | 140 Ų | 140 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | -111.1 | 53.3 | 166.5 | -76.5 | -173.6 | -179.8 | 170.8 | 0 | 111.7 | G499 | G499-K501 PolarHBondContact O-N 3.2Å; G499-K501 VanDerWaalsContact O-N 3.09Å | ||
| 502 | E | 22.4 | Very low | 22.9 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -73.4 | 137 | 160.8 | -70.5 | -161.3 | 145.8 | 0 | 0 | 111.1 | D500 R504 | D500-E502 PolarHBondContact O-N 2.99Å; E502-R504 PolarHBondContact O-N 2.88Å | ||
| 503 | M | 20.4 | Very low | 22.6 | Very low | 168.5 Ų | 168.5 | 145.5 Ų | 145.5 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | 0.9 | 93.5 | 167 | -59.4 | -122.7 | -76.4 | 0 | 0 | 115.1 | ||||
| 504 | R | 21.8 | Very low | 22.6 | Very low | 249.5 Ų | 249.5 | 147 Ų | 147 | 94% | 0.942 | 78% | 0.775 | S | S | * | * | trans | -115.9 | 116.4 | 151 | -75.3 | -165.4 | 177.6 | -169.8 | 1 | 110.4 | E502 | E502-R504 PolarHBondContact O-N 2.88Š| ||
| 505 | E | 19.7 | Very low | 22.5 | Very low | 178.5 Ų | 178.5 | 149.4 Ų | 149.4 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -83.7 | 142.7 | 176.6 | -58.1 | 171.2 | 132.4 | 0 | 0 | 110.7 | ||||
| 506 | G | 19.4 | Very low | 22.5 | Very low | 62 Ų | 62 | 150.5 Ų | 150.5 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | 70.9 | 129.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 507 | N | 23.1 | Very low | 22.4 | Very low | 160 Ų | 160 | 155.5 Ų | 155.5 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | 129.6 | 136.3 | 129.9 | -63.5 | -15.2 | 0 | 0 | 0 | 111.8 | |||||
| 508 | E | 19.5 | Very low | 22.3 | Very low | 174.5 Ų | 174.5 | 150.3 Ų | 150.3 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | -24.8 | 159.5 | 126.1 | -58.9 | 179.2 | 138.4 | 0 | 0 | 112.6 | |||||
| 509 | D | 23 | Very low | 22.2 | Very low | 138.5 Ų | 138.5 | 151.5 Ų | 151.5 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 76.5 | 130.1 | 169.5 | -51.6 | -27.5 | 0 | 0 | 0 | 119.1 | ||||
| 510 | E | 23 | Very low | 22.2 | Very low | 169 Ų | 169 | 156.8 Ų | 156.8 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | 133.2 | 152.9 | 60.8 | -91.9 | -179.1 | 165.8 | 0 | 0 | 114.9 | |||||
| 511 | T | 21.6 | Very low | 22.2 | Very low | 112.5 Ų | 112.5 | 155.4 Ų | 155.4 | 69% | 0.69 | 80% | 0.798 | S | S | * | * | -79.6 | 143 | 72.6 | 40.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 512 | V | 23.5 | Very low | 22.2 | Very low | 121 Ų | 121 | 152.1 Ų | 152.1 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | 122.2 | 149.6 | 93.6 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 513 | D | 22.5 | Very low | 22.2 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | 3.7 | 143.7 | 177.2 | -48.3 | -36.6 | 0 | 0 | 0 | 112.8 | ||||
| 514 | D | 25.9 | Very low | 22.3 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | -164.2 | 133.9 | -121.7 | -96.3 | -15.5 | 0 | 0 | 0 | 107.1 | |||||
| 515 | D | 22.1 | Very low | 22.3 | Very low | 148.5 Ų | 148.5 | 142.2 Ų | 142.2 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | -115.8 | 162 | -110.5 | -114.1 | -28.1 | 0 | 0 | 0 | 108.5 | |||||
| 516 | D | 25.5 | Very low | 22.3 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -149.3 | 131.5 | 159.9 | -114.5 | -22.9 | 0 | 0 | 0 | 113.7 | ||||
| 517 | E | 21 | Very low | 22.4 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | trans | -112.6 | 162.1 | 174.4 | -69.1 | -172.6 | 140.3 | 0 | 0 | 111.9 | ||||
| 518 | G | 22.5 | Very low | 22.3 | Very low | 65.5 Ų | 65.5 | 138.7 Ų | 138.7 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | 139.7 | 95.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 519 | E | 21.8 | Very low | 22.5 | Very low | 180.5 Ų | 180.5 | 135.4 Ų | 135.4 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | 68.5 | 127.8 | 73.1 | -65 | -168.6 | 157.4 | 0 | 0 | 113.5 | |||||
| 520 | E | 21.5 | Very low | 22.4 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | -76.7 | 151.3 | 74.6 | -87.6 | -176.3 | 163.9 | 0 | 0 | 115.5 | |||||
| 521 | D | 23.9 | Very low | 22.2 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 143.8 | 102.7 | 146 | -95.7 | -0.8 | 0 | 0 | 0 | 119.1 | ||||
| 522 | D | 22.2 | Very low | 22.1 | Very low | 125.5 Ų | 125.5 | 129.8 Ų | 129.8 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | 79.6 | 120.8 | 113.5 | -87.3 | 4 | 0 | 0 | 0 | 126.5 | |||||
| 523 | L | 21.3 | Very low | 22 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | 66.8 | 112.7 | 125.4 | -63.5 | 173.7 | 0 | 0 | 0 | 123.8 | |||||
| 524 | L | 23.3 | Very low | 22 | Very low | 151 Ų | 151 | 130 Ų | 130 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | 154.9 | 110.3 | 124 | -76.6 | 179.8 | 0 | 0 | 0 | 119 | |||||
| 525 | T | 21 | Very low | 21.7 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | 54.7 | 136 | 138 | 56.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 526 | S | 21.1 | Very low | 21.7 | Very low | 107.5 Ų | 107.5 | 127.7 Ų | 127.7 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | 127.9 | 143.8 | 60.8 | 60.4 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 527 | S | 22.1 | Very low | 21.6 | Very low | 104.5 Ų | 104.5 | 126.1 Ų | 126.1 | 73% | 0.731 | 75% | 0.745 | S | S | * | * | 132.2 | 131.8 | 81.8 | 56.5 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 528 | S | 20.7 | Very low | 21.5 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | -6.6 | 141.2 | 158.6 | 70.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 529 | S | 22.1 | Very low | 21.5 | Very low | 104.5 Ų | 104.5 | 129.7 Ų | 129.7 | 73% | 0.731 | 75% | 0.746 | S | S | * | * | -179.1 | 138.9 | 69.8 | 43.7 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 530 | S | 20.8 | Very low | 21.5 | Very low | 103.5 Ų | 103.5 | 126.7 Ų | 126.7 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | cis | 130.9 | 156.3 | 22.7 | 69.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 531 | S | 20.3 | Very low | 21.5 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | 69.6 | 154.2 | 172.2 | 76.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 532 | S | 19.9 | Very low | 21.5 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | cis | -164.8 | 172.2 | -45 | 43.5 | 0 | 0 | 0 | 0 | 111.5 | D534 | S532-D534 PolarHBondContact O-N 3.32Š| ||
| 533 | S | 21 | Very low | 21.5 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | 9.1 | 138.7 | 174.8 | 62.8 | 0 | 0 | 0 | 0 | 115.9 | V535 | S533-V535 PolarHBondContact O-N 3.44Š| ||
| 534 | D | 21.4 | Very low | 21.6 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | -121.9 | 152.6 | -129.2 | -77.8 | -33.3 | 0 | 0 | 0 | 109.1 | S532 | S532-D534 PolarHBondContact O-N 3.32Š| |||
| 535 | V | 21 | Very low | 21.5 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | -134.5 | 135 | 80.7 | 129.3 | 0 | 0 | 0 | 0 | 108.3 | S533 | S533-V535 PolarHBondContact O-N 3.44Š| |||
| 536 | D | 22.1 | Very low | 21.5 | Very low | 132.5 Ų | 132.5 | 130.8 Ų | 130.8 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | 125.8 | 151.2 | 155.1 | -93 | 1.3 | 0 | 0 | 0 | 120.6 | ||||
| 537 | N | 22.2 | Very low | 21.5 | Very low | 129.5 Ų | 129.5 | 133.8 Ų | 133.8 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | cis | 132.2 | 142.5 | 48.4 | -83.4 | -32.6 | 0 | 0 | 0 | 120.5 | ||||
| 538 | D | 19.7 | Very low | 21.7 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -7.7 | 152.8 | 154.1 | -72.2 | -39.1 | 0 | 0 | 0 | 122.3 | ||||
| 539 | K | 22.3 | Very low | 22.1 | Very low | 195.5 Ų | 195.5 | 137.5 Ų | 137.5 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | 121.6 | 134.8 | 145.4 | -68.5 | 167 | -175.7 | 168.5 | 0 | 114.9 | ||||
| 540 | C | 21.6 | Very low | 22 | Very low | 117.5 Ų | 117.5 | 139.3 Ų | 139.3 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | cis | 156.4 | 139.5 | 41.4 | -95.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 541 | N | 21.6 | Very low | 22 | Very low | 138.5 Ų | 138.5 | 140.6 Ų | 140.6 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | -86.3 | 155.1 | 74.9 | -108.3 | -9 | 0 | 0 | 0 | 116.1 | |||||
| 542 | E | 23.9 | Very low | 22.1 | Very low | 182.5 Ų | 182.5 | 143.7 Ų | 143.7 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | 152.6 | 158.5 | 140.7 | -84.2 | 179.6 | -161.3 | 0 | 0 | 117.8 | ||||
| 543 | S | 21.4 | Very low | 22.2 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | -150.5 | 153.1 | -97.3 | 61.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 544 | L | 24.3 | Very low | 22.7 | Very low | 159.5 Ų | 159.5 | 145 Ų | 145 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 141.2 | 162.4 | 158.5 | -80 | 168.1 | 0 | 0 | 0 | 115.1 | ||||
| 545 | K | 20.8 | Very low | 22.7 | Very low | 173 Ų | 173 | 145 Ų | 145 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | -146.1 | 170.5 | -86.9 | -83.9 | 173.3 | 177.3 | 165.7 | 0 | 111.3 | |||||
| 546 | H | 20.5 | Very low | 22.6 | Very low | 156.5 Ų | 156.5 | 150.7 Ų | 150.7 | 73% | 0.725 | 77% | 0.774 | S | S | * | * | 147.6 | 160.9 | 52.6 | -110.3 | -4.8 | 0 | 0 | 0 | 117.4 | |||||
| 547 | H | 22.6 | Very low | 22.5 | Very low | 170.5 Ų | 170.5 | 150.8 Ų | 150.8 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | trans | 86.3 | 127.5 | 160.2 | -73.8 | -68.7 | 0 | 0 | 0 | 124.2 | ||||
| 548 | K | 24.9 | Very low | 22.5 | Very low | 194 Ų | 194 | 150.7 Ų | 150.7 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -64.6 | 178.5 | 156.1 | -73 | -172.9 | 173.7 | -177.3 | 0 | 115.1 | ||||
| 549 | P | 29.8 | Very low | 22.6 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | cis | -147.4 | -178.3 | -15.6 | 43.8 | -23.8 | 0 | 0 | 0 | 117.9 | ||||
| 550 | N | 19.4 | Very low | 22.7 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 91.8 | 144.6 | 142.3 | -72.9 | 5.1 | 0 | 0 | 0 | 124 | ||||
| 551 | N | 21.9 | Very low | 22.7 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 97.9 | 105.1 | 144.5 | -73.9 | 0.9 | 0 | 0 | 0 | 123.2 | ||||
| 552 | H | 21.3 | Very low | 22.9 | Very low | 169.5 Ų | 169.5 | 148.9 Ų | 148.9 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 51.1 | 115.4 | 134 | -65.5 | -66.8 | 0 | 0 | 0 | 123.4 | ||||
| 553 | S | 23.1 | Very low | 22.8 | Very low | 116.5 Ų | 116.5 | 144 Ų | 144 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | 136.2 | 156 | 114.2 | 61.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 554 | P | 30.5 | Very low | 22.8 | Very low | 113.5 Ų | 113.5 | 150.2 Ų | 150.2 | 74% | 0.737 | 79% | 0.787 | S | S | * | * | trans | -115.7 | 169.4 | -156.6 | 41.3 | -30.7 | 0 | 0 | 0 | 115.4 | ||||
| 555 | N | 21.4 | Very low | 22.7 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 139.8 | 108.2 | 149.4 | -82.1 | -20.1 | 0 | 0 | 0 | 115 | ||||
| 556 | R | 18.9 | Very low | 22.8 | Very low | 241.5 Ų | 241.5 | 151.6 Ų | 151.6 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -126.4 | 140.3 | 139.5 | -90 | 170.2 | 169.2 | 173 | -4 | 111 | ||||
| 557 | T | 21 | Very low | 22.9 | Very low | 135.5 Ų | 135.5 | 152.7 Ų | 152.7 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -131.6 | 123.2 | 137.4 | 27.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 558 | V | 22.3 | Very low | 22.9 | Very low | 127.5 Ų | 127.5 | 153.2 Ų | 153.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 116.4 | 129.2 | 136.6 | 164.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 559 | N | 21 | Very low | 22.8 | Very low | 137.5 Ų | 137.5 | 153 Ų | 153 | 74% | 0.735 | 80% | 0.8 | S | S | * | * | trans | -8.3 | 132.7 | 159.3 | -50.7 | -20.4 | 0 | 0 | 0 | 115.7 | ||||
| 560 | D | 24.3 | Very low | 22.4 | Very low | 151 Ų | 151 | 157.6 Ų | 157.6 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | -159.3 | 129.4 | 101.4 | -111.9 | -19.6 | 0 | 0 | 0 | 114.8 | |||||
| 561 | T | 21.7 | Very low | 22.6 | Very low | 117 Ų | 117 | 157.7 Ų | 157.7 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | -15.6 | 118 | 164.7 | 53.4 | 0 | 0 | 0 | 0 | 116.6 | G563 | T561-G563 PolarHBondContact O-N 3.33Š| ||
| 562 | N | 25.3 | Very low | 22.7 | Very low | 148.5 Ų | 148.5 | 160 Ų | 160 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 140.7 | 54.6 | 148.5 | -82.6 | -34.7 | 0 | 0 | 0 | 116.3 | R564 | N562-R564 PolarHBondContact O-N 3.05Š| ||
| 563 | G | 22.6 | Very low | 22.8 | Very low | 80.5 Ų | 80.5 | 159.1 Ų | 159.1 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 43.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T561 L565 | T561-G563 PolarHBondContact O-N 3.33Å; G563-L565 VanDerWaalsContact C-N 3.33Å; G563-L565 PolarHBondContact O-N 3.13Å | ||
| 564 | R | 22.1 | Very low | 22.8 | Very low | 225 Ų | 225 | 163.5 Ų | 163.5 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | trans | -76.9 | 91.8 | -176.4 | -158.3 | 177.6 | -164.9 | 177.9 | 6.2 | 111.2 | N562 K566 | N562-R564 PolarHBondContact O-N 3.05Å; R564-K566 PolarHBondContact O-N 3.47Å; R564-K566 VanDerWaalsContact O-N 3.15Å | ||
| 565 | L | 22.1 | Very low | 22.6 | Very low | 168 Ų | 168 | 162.2 Ų | 162.2 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | -43.7 | 109.5 | 172.4 | -80.4 | 160 | 0 | 0 | 0 | 110.7 | G563 M567 | G563-L565 VanDerWaalsContact C-N 3.33Å; G563-L565 PolarHBondContact O-N 3.13Å; L565-M567 VanDerWaalsContact C-N 3.26Å; L565-M567 PolarHBondContact O-N 3.13Å | ||
| 566 | K | 22.5 | Very low | 22.8 | Very low | 193 Ų | 193 | 159.9 Ų | 159.9 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -72 | 81.9 | 173.2 | -76.4 | 176.9 | 179.3 | 168.4 | 0 | 108.5 | R564 K568 | R564-K566 PolarHBondContact O-N 3.47Å; R564-K566 VanDerWaalsContact O-N 3.15Å; K566-K568 PolarHBondContact O-N 3.22Å | ||
| 567 | M | 22.4 | Very low | 23.5 | Very low | 180.5 Ų | 180.5 | 156.4 Ų | 156.4 | 89% | 0.889 | 79% | 0.785 | S | S | * | * | trans | -37.7 | 111.5 | 165.5 | -170 | 176 | -169.1 | 0 | 0 | 108.6 | L565 K569 | L565-M567 VanDerWaalsContact C-N 3.26Å; L565-M567 PolarHBondContact O-N 3.13Å; M567-K569 PolarHBondContact O-N 3.15Å; M567-K569 VanDerWaalsContact O-N 3.09Å | ||
| 568 | K | 21.9 | Very low | 24.1 | Very low | 181 Ų | 181 | 157.9 Ų | 157.9 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | -52.6 | 107.2 | -164.9 | -70.9 | 175.5 | 179.4 | 171.9 | 0 | 109.4 | K566 R570 | K566-K568 PolarHBondContact O-N 3.22Å; K568-R570 HydrophobicContact CB-CG 4.31Å; K568-R570 PolarHBondContact O-N 3.12Å | ||
| 569 | K | 22.6 | Very low | 24.9 | Very low | 188 Ų | 188 | 155 Ų | 155 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | -62.7 | 85.9 | 164.2 | -76 | -168.8 | 173.1 | -168.1 | 0 | 107.5 | M567 I571 | M567-K569 PolarHBondContact O-N 3.15Å; M567-K569 VanDerWaalsContact O-N 3.09Å; K569-I571 HydrophobicContact CB-CG1 4.16Å; K569-I571 PolarHBondContact O-N 2.94Å | ||
| 570 | R | 22.3 | Very low | 26 | Very low | 203 Ų | 203 | 149.3 Ų | 149.3 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | -84.3 | 93.8 | 161.3 | -81.2 | -176.6 | 170 | -178.4 | -4.7 | 106 | K568 F572 | K568-R570 HydrophobicContact CB-CG 4.31Å; K568-R570 PolarHBondContact O-N 3.12Å; R570-F572 PolarHBondContact O-N 3.43Å | ||
| 571 | I | 23.7 | Very low | 27.4 | Very low | 142 Ų | 142 | 147 Ų | 147 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -109 | 36 | 157.9 | -83.9 | 156.9 | 0 | 0 | 0 | 105.2 | K569 Q573 | K569-I571 HydrophobicContact CB-CG1 4.16Å; K569-I571 PolarHBondContact O-N 2.94Å; I571-Q573 VanDerWaalsContact C-N 3.35Å; I571-Q573 PolarHBondContact O-N 2.96Å |
| 572 | F | 24.2 | Very low | 28.8 | Very low | 181.5 Ų | 181.5 | 146.2 Ų | 146.2 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | -75.1 | 92.5 | 164.7 | -74.8 | -89 | 0 | 0 | 0 | 109.7 | R570 K574 | R570-F572 PolarHBondContact O-N 3.43Å; F572-K574 PolarHBondContact O-N 2.97Å; F572-K574 VanDerWaalsContact O-N 3.11Å | ||
| 573 | Q | 22.4 | Very low | 30.3 | Very low | 150.5 Ų | 150.5 | 143.1 Ų | 143.1 | 70% | 0.703 | 69% | 0.692 | S | S | * | * | trans | -64.3 | 122.3 | 159.2 | -74 | 175.6 | -62 | 0 | 0 | 106.2 | I571 S575 | I571-Q573 VanDerWaalsContact C-N 3.35Å; I571-Q573 PolarHBondContact O-N 2.96Å; Q573-S575 VanDerWaalsContact C-N 3.27Å; Q573-S575 PolarHBondContact O-N 3.21Å | ||
| 574 | K | 24.6 | Very low | 32.1 | Very low | 209.5 Ų | 209.5 | 139.6 Ų | 139.6 | 91% | 0.911 | 66% | 0.655 | S | S | * | * | -8.3 | 54.4 | 108.8 | -69.8 | -165.5 | 172.7 | -169 | 0 | 111.4 | F572 S576 | F572-K574 PolarHBondContact O-N 2.97Å; F572-K574 VanDerWaalsContact O-N 3.11Å; K574-S576 PolarHBondContact O-N 3.22Å | |||
| 575 | S | 25.8 | Very low | 34.3 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 60% | 0.601 | 63% | 0.631 | S | S | * | * | trans | -106.1 | 106.9 | 150.9 | 46.4 | 0 | 0 | 0 | 0 | 108.7 | Q573 Y577 | Q573-S575 VanDerWaalsContact C-N 3.27Å; Q573-S575 PolarHBondContact O-N 3.21Å; S575-Y577 VanDerWaalsContact C-N 3.29Å; S575-Y577 PolarHBondContact O-N 3.45Å | ||
| 576 | S | 25.6 | Very low | 36.4 | Very low | 110.5 Ų | 110.5 | 127.4 Ų | 127.4 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | trans | -23.1 | 68.8 | 177.4 | 58.3 | 0 | 0 | 0 | 0 | 115.1 | K574 K578 | K574-S576 PolarHBondContact O-N 3.22Å; S576-K578 VanDerWaalsContact C-N 3.27Å; S576-K578 PolarHBondContact O-N 3.14Å | ||
| 577 | Y | 33.8 | Very low | 38.8 | Very low | 168.5 Ų | 168.5 | 121.8 Ų | 121.8 | 66% | 0.661 | 60% | 0.601 | S | S | * | * | trans | -66.8 | 94.9 | 158.9 | -84.1 | -87.3 | 0 | 0 | 0 | 108.8 | V356 S575 | V356-Y577 HydrophobicContact CG1-CD1 4.17Å; V356-Y577 HydrophobicContact CG1-CE1 3.77Å; S575-Y577 VanDerWaalsContact C-N 3.29Å; S575-Y577 PolarHBondContact O-N 3.45Å | ||
| 578 | K | 32.1 | Very low | 41.1 | Very low | 166.5 Ų | 166.5 | 115.7 Ų | 115.7 | 72% | 0.724 | 57% | 0.574 | S | S | * | * | trans | -62.6 | 128.3 | 156.7 | -72 | -177.7 | 177.6 | -179.9 | 0 | 106.7 | S576 | S576-K578 VanDerWaalsContact C-N 3.27Å; S576-K578 PolarHBondContact O-N 3.14Å | ||
| 579 | P | 40.3 | Very low | 43.5 | Very low | 68 Ų | 68 | 108.8 Ų | 108.8 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | trans | -63.5 | 143 | 171 | 27.7 | -33.7 | 0 | 0 | 0 | 109.7 | Y581 T582 | P579-Y581 HydrophobicContact CB-CD1 3.87Å; P579-Y581 HydrophobicContact CB-CD2 3.67Å; P579-Y581 HydrophobicContact CB-CE1 3.5Å; P579-Y581 VanDerWaalsContact CB-CE1 3.5Å; P579-Y581 HydrophobicContact CB-CE2 3.44Å; P579-Y581 HydrophobicContact CB-CG 4.2Å; P579-Y581 HydrophobicContact CG-CD2 3.77Å; P579-Y581 HydrophobicContact CG-CE1 4.45Å; P579-Y581 HydrophobicContact CG-CE2 3.64Å; P579-Y581 VanDerWaalsContact CG-CE2 3.4Å; P579-Y581 PolarHBondContact O-N 3.33Å; P579-T582 PolarHBondContact O-N 3.35Å | ||
| 580 | A | 44.3 | Very low | 46 | Very low | 16.5 Ų | 16.5 | 106.2 Ų | 106.2 | 14% | 0.136 | 53% | 0.533 | C | S | . | . | G | 310 helix | trans | -61.9 | -7.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P354 L359 T582 H583 | P354-A580 HydrophobicContact CB-CB 4.43Å; P354-A580 HydrophobicContact CG-CB 4.14Å; L359-A580 HydrophobicContact CD1-CB 3.93Å; L359-A580 HydrophobicContact CD2-CB 3.94Å; L359-A580 HydrophobicContact CG-CB 3.81Å; A580-T582 PolarHBondContact O-N 3.2Å; A580-H583 PolarHBondContact O-CD2 3.14Å |
| 581 | Y | 52.3 | Low | 48.8 | Very low | 103 Ų | 103 | 98.9 Ų | 98.9 | 40% | 0.404 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -68.7 | 6.8 | -176.4 | -4 | -78.5 | 0 | 0 | 0 | 115.5 | F353 P579 H583 R589 | F353-Y581 HydrophobicContact CD1-CD1 4.46Å; P579-Y581 HydrophobicContact CB-CD1 3.87Å; P579-Y581 HydrophobicContact CB-CD2 3.67Å; P579-Y581 HydrophobicContact CB-CE1 3.5Å; P579-Y581 VanDerWaalsContact CB-CE1 3.5Å; P579-Y581 HydrophobicContact CB-CE2 3.44Å; P579-Y581 HydrophobicContact CB-CG 4.2Å; P579-Y581 HydrophobicContact CG-CD2 3.77Å; P579-Y581 HydrophobicContact CG-CE1 4.45Å; P579-Y581 HydrophobicContact CG-CE2 3.64Å; P579-Y581 VanDerWaalsContact CG-CE2 3.4Å; P579-Y581 PolarHBondContact O-N 3.33Å; Y581-H583 VanDerWaalsContact C-N 3.28Å; Y581-H583 PolarHBondContact O-N 2.84Å; Y581-R589 PolarHBondContact O-NH2 2.74Å |
| 582 | T | 53 | Low | 51.6 | Low | 100 Ų | 100 | 92.2 Ų | 92.2 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -73.3 | -13.2 | 174.4 | 48.4 | 0 | 0 | 0 | 0 | 114.6 | P579 A580 | P579-T582 PolarHBondContact O-N 3.35Å; A580-T582 PolarHBondContact O-N 3.2Å |
| 583 | H | 55.2 | Low | 54.3 | Low | 84 Ų | 84 | 85.2 Ų | 85.2 | 39% | 0.389 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -89.7 | -24.7 | -175.9 | -65.5 | -79.4 | 0 | 0 | 0 | 114.5 | Y363 A580 Y581 | Y363-H583 HydrophobicContact CE2-CB 4.33Å; Y363-H583 AromaticContact CZ-ND1 3.96Å; Y363-H583 PolarHBondContact OH-ND1 2.76Å; A580-H583 PolarHBondContact O-CD2 3.14Å; Y581-H583 VanDerWaalsContact C-N 3.28Å; Y581-H583 PolarHBondContact O-N 2.84Å |
| 584 | V | 61.8 | Low | 57.1 | Low | 7.5 Ų | 7.5 | 85.5 Ų | 85.5 | 5% | 0.045 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -89.9 | 133.9 | 174.4 | -161.9 | 0 | 0 | 0 | 0 | 109.2 | E351 Y369 R589 | E351-V584 WeakPolarHBondContact O-CG2 3.19Å; Y369-V584 HydrophobicContact CD2-CG1 4.03Å; Y369-V584 HydrophobicContact CE2-CB 4.14Å; Y369-V584 HydrophobicContact CE2-CG1 3.78Å; Y369-V584 HydrophobicContact CE2-CG2 3.89Å; V584-R589 HydrophobicContact CG1-CB 4.47Å |
| 585 | S | 66.9 | Low | 59.8 | Low | 49.5 Ų | 49.5 | 76.4 Ų | 76.4 | 35% | 0.346 | 41% | 0.413 | S | S | . | . | trans | -61.1 | 138.2 | 174.8 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | S587 V588 R589 | S585-S587 PolarHBondContact O-N 2.99Å; S585-S587 VanDerWaalsContact O-N 3.16Å; S585-S587 PolarHBondContact OG-OG 3.15Å; S585-V588 PolarHBondContact O-N 3.06Å; S585-V588 WeakPolarHBondContact OG-CB 3.4Å; S585-V588 VanDerWaalsContact OG-CG2 3.24Å; S585-V588 WeakPolarHBondContact OG-CG2 3.38Å; S585-V588 PolarHBondContact OG-N 2.8Å; S585-R589 PolarHBondContact O-N 2.8Å | ||
| 586 | P | 67.4 | Low | 62.5 | Low | 85.5 Ų | 85.5 | 72.8 Ų | 72.8 | 56% | 0.555 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.3 | -32.6 | 178.5 | -27.7 | 35.9 | 0 | 0 | 0 | 113.2 | Q590 | P586-Q590 VanDerWaalsContact O-CB 3.28Å; P586-Q590 WeakPolarHBondContact O-CB 3.47Å; P586-Q590 WeakPolarHBondContact O-CG 3.25Å; P586-Q590 PolarHBondContact O-N 3.08Å |
| 587 | S | 71.5 | Confident | 65.2 | Low | 75.5 Ų | 75.5 | 68.4 Ų | 68.4 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.7 | -49 | 178.3 | 44.8 | 0 | 0 | 0 | 0 | 113.3 | S585 R589 Q590 S591 | S585-S587 PolarHBondContact O-N 2.99Å; S585-S587 VanDerWaalsContact O-N 3.16Å; S585-S587 PolarHBondContact OG-OG 3.15Å; S587-R589 VanDerWaalsContact C-N 3.31Å; S587-R589 PolarHBondContact O-N 3.07Å; S587-Q590 PolarHBondContact O-N 3.05Å; S587-Q590 VanDerWaalsContact O-N 3.11Å; S587-S591 PolarHBondContact O-N 3.14Å; S587-S591 PolarHBondContact O-OG 3Å |
| 588 | V | 71.2 | Confident | 67.6 | Low | 52.5 Ų | 52.5 | 61.6 Ų | 61.6 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 111 | S585 S591 H592 | S585-V588 PolarHBondContact O-N 3.06Å; S585-V588 WeakPolarHBondContact OG-CB 3.4Å; S585-V588 VanDerWaalsContact OG-CG2 3.24Å; S585-V588 WeakPolarHBondContact OG-CG2 3.38Å; S585-V588 PolarHBondContact OG-N 2.8Å; V588-S591 PolarHBondContact O-N 3.02Å; V588-S591 PolarHBondContact O-OG 2.96Å; V588-H592 PolarHBondContact O-N 3.45Å |
| 589 | R | 73 | Confident | 69.9 | Low | 36.5 Ų | 36.5 | 54.4 Ų | 54.4 | 14% | 0.138 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -44.2 | 172.4 | -163.6 | -171.5 | -64.9 | 105.8 | 3.4 | 111.4 | L352 F353 Y581 V584 S585 S587 S591 L593 | L352-R589 HydrophobicContact CD2-CG 4.31Å; L352-R589 PolarHBondContact O-NE 3.45Å; F353-R589 HydrophobicContact CZ-CG 4.32Å; Y581-R589 PolarHBondContact O-NH2 2.74Å; V584-R589 HydrophobicContact CG1-CB 4.47Å; S585-R589 PolarHBondContact O-N 2.8Å; S587-R589 VanDerWaalsContact C-N 3.31Å; S587-R589 PolarHBondContact O-N 3.07Å; R589-S591 PolarHBondContact O-N 3.39Å; R589-L593 HydrophobicContact CG-CD1 3.79Å; R589-L593 HydrophobicContact CG-CG 4.23Å; R589-L593 WeakPolarHBondContact O-CB 3.36Å; R589-L593 WeakPolarHBondContact O-CG 3.27Å; R589-L593 PolarHBondContact O-N 3.04Å |
| 590 | Q | 75.7 | Confident | 71.9 | Confident | 133.5 Ų | 133.5 | 52.7 Ų | 52.7 | 62% | 0.624 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.8 | -35.1 | 178.7 | -79.2 | 171.1 | -4.2 | 0 | 0 | 113.2 | P586 S587 K594 | P586-Q590 VanDerWaalsContact O-CB 3.28Å; P586-Q590 WeakPolarHBondContact O-CB 3.47Å; P586-Q590 WeakPolarHBondContact O-CG 3.25Å; P586-Q590 PolarHBondContact O-N 3.08Å; S587-Q590 PolarHBondContact O-N 3.05Å; S587-Q590 VanDerWaalsContact O-N 3.11Å; Q590-K594 VanDerWaalsContact O-CB 3.3Å; Q590-K594 WeakPolarHBondContact O-CB 3.27Å; Q590-K594 PolarHBondContact O-N 3.15Å |
| 591 | S | 79.6 | Confident | 73.4 | Confident | 49.5 Ų | 49.5 | 52.1 Ų | 52.1 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.4 | -48.2 | 179.1 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | V372 S587 V588 R589 K594 A595 | V372-S591 WeakPolarHBondContact CG2-OG 3.36Å; S587-S591 PolarHBondContact O-N 3.14Å; S587-S591 PolarHBondContact O-OG 3Å; V588-S591 PolarHBondContact O-N 3.02Å; V588-S591 PolarHBondContact O-OG 2.96Å; R589-S591 PolarHBondContact O-N 3.39Å; S591-K594 PolarHBondContact O-N 3.12Å; S591-A595 WeakPolarHBondContact O-CB 3.4Å; S591-A595 PolarHBondContact O-N 2.91Å |
| 592 | H | 83.9 | Confident | 74.7 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 171.9 | -82.6 | -66.9 | 0 | 0 | 0 | 111.9 | L352 L370 S371 R413 V588 K594 A595 F596 | L352-H592 HydrophobicContact CD1-CB 3.89Å; L352-H592 HydrophobicContact CD2-CB 4.31Å; L370-H592 PolarHBondContact O-NE2 2.96Å; S371-H592 PolarHBondContact O-CE1 2.92Å; S371-H592 VanDerWaalsContact O-CE1 3.27Å; R413-H592 PolarHBondContact NH2-ND1 3.34Å; R413-H592 VanDerWaalsContact NH2-ND1 3.14Å; V588-H592 PolarHBondContact O-N 3.45Å; H592-K594 VanDerWaalsContact C-N 3.29Å; H592-K594 PolarHBondContact O-N 3.19Å; H592-A595 WeakPolarHBondContact O-CB 3.4Å; H592-A595 PolarHBondContact O-N 3.1Å; H592-F596 HydrophobicContact CB-CE2 3.94Å; H592-F596 HydrophobicContact CB-CZ 4.09Å; H592-F596 WeakPolarHBondContact O-CD2 3.35Å; H592-F596 WeakPolarHBondContact O-CE2 3.39Å; H592-F596 VanDerWaalsContact O-CG 3.23Å; H592-F596 WeakPolarHBondContact O-CG 3.43Å; H592-F596 PolarHBondContact O-N 2.8Å; H592-F596 VanDerWaalsContact O-N 3.1Å |
| 593 | L | 80.2 | Confident | 75.9 | Confident | 33.5 Ų | 33.5 | 43 Ų | 43 | 18% | 0.175 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.4 | -40.3 | 177.4 | -77.2 | 175.7 | 0 | 0 | 0 | 112.2 | F353 F457 L459 R589 F596 T597 W958 | F353-L593 HydrophobicContact CE2-CD2 4.34Å; F353-L593 HydrophobicContact CZ-CD1 4.43Å; F353-L593 HydrophobicContact CZ-CD2 4.13Å; F457-L593 HydrophobicContact CE2-CD2 3.9Å; F457-L593 HydrophobicContact CZ-CD2 4.19Å; L459-L593 HydrophobicContact CD1-CD2 4.36Å; R589-L593 HydrophobicContact CG-CD1 3.79Å; R589-L593 HydrophobicContact CG-CG 4.23Å; R589-L593 WeakPolarHBondContact O-CB 3.36Å; R589-L593 WeakPolarHBondContact O-CG 3.27Å; R589-L593 PolarHBondContact O-N 3.04Å; L593-F596 HydrophobicContact CD2-CD2 4.38Å; L593-F596 PolarHBondContact O-N 3.09Å; L593-T597 WeakPolarHBondContact O-CG2 3.27Å; L593-W958 HydrophobicContact CB-CH2 3.74Å; L593-W958 HydrophobicContact CB-CZ2 3.75Å; L593-W958 HydrophobicContact CD2-CH2 3.69Å; L593-W958 HydrophobicContact CD2-CZ2 4.46Å; L593-W958 HydrophobicContact CD2-CZ3 4.36Å; L593-W958 HydrophobicContact CG-CH2 4.24Å; L593-W958 WeakPolarHBondContact O-CH2 3.45Å; L593-W958 VanDerWaalsContact O-CZ2 3.28Å; L593-W958 WeakPolarHBondContact O-CZ2 3.36Å |
| 594 | K | 80.4 | Confident | 77.1 | Confident | 157 Ų | 157 | 40.2 Ų | 40.2 | 68% | 0.683 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.5 | -42.5 | 173.8 | -174.7 | -178 | 178.5 | -174.3 | 0 | 111.7 | Q590 S591 H592 F596 T597 | Q590-K594 VanDerWaalsContact O-CB 3.3Å; Q590-K594 WeakPolarHBondContact O-CB 3.27Å; Q590-K594 PolarHBondContact O-N 3.15Å; S591-K594 PolarHBondContact O-N 3.12Å; H592-K594 VanDerWaalsContact C-N 3.29Å; H592-K594 PolarHBondContact O-N 3.19Å; K594-F596 VanDerWaalsContact C-N 3.28Å; K594-F596 PolarHBondContact O-N 3.11Å; K594-T597 PolarHBondContact O-N 3.01Å; K594-T597 PolarHBondContact O-OG1 3.19Å |
| 595 | A | 82.7 | Confident | 78.1 | Confident | 18.5 Ų | 18.5 | 40.3 Ų | 40.3 | 15% | 0.153 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.4 | -22.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V372 S591 H592 T597 | V372-A595 HydrophobicContact CG1-CB 4.43Å; S591-A595 WeakPolarHBondContact O-CB 3.4Å; S591-A595 PolarHBondContact O-N 2.91Å; H592-A595 WeakPolarHBondContact O-CB 3.4Å; H592-A595 PolarHBondContact O-N 3.1Å; A595-T597 VanDerWaalsContact C-N 3.26Å; A595-T597 PolarHBondContact O-N 3.17Å |
| 596 | F | 82.9 | Confident | 79 | Confident | 11.5 Ų | 11.5 | 38.8 Ų | 38.8 | 5% | 0.05 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 0.6 | 169.9 | -53.9 | -45.7 | 0 | 0 | 0 | 114 | L348 L352 L412 F457 L459 H592 L593 K594 | L348-F596 HydrophobicContact CD1-CZ 4.41Å; L352-F596 HydrophobicContact CD1-CE2 3.87Å; L352-F596 HydrophobicContact CD1-CZ 4.15Å; L412-F596 HydrophobicContact CD2-CE1 4.35Å; L412-F596 VanDerWaalsContact O-CD1 3.29Å; L412-F596 WeakPolarHBondContact O-CD1 3.42Å; F457-F596 HydrophobicContact CD2-CB 3.93Å; F457-F596 HydrophobicContact CD2-CD1 4.4Å; F457-F596 AromaticContact CD2-CD2 3.55Å; F457-F596 HydrophobicContact CD2-CD2 3.55Å; F457-F596 HydrophobicContact CD2-CE2 4.11Å; F457-F596 AromaticContact CD2-CG 3.75Å; F457-F596 HydrophobicContact CD2-CG 3.75Å; F457-F596 HydrophobicContact CE2-CB 3.95Å; F457-F596 AromaticContact CE2-CD1 3.57Å; F457-F596 HydrophobicContact CE2-CD1 3.57Å; F457-F596 AromaticContact CE2-CD2 3.12Å; F457-F596 HydrophobicContact CE2-CD2 3.12Å; F457-F596 AromaticContact CE2-CE1 3.72Å; F457-F596 HydrophobicContact CE2-CE1 3.72Å; F457-F596 AromaticContact CE2-CE2 3.31Å; F457-F596 HydrophobicContact CE2-CE2 3.31Å; F457-F596 AromaticContact CE2-CG 3.29Å; F457-F596 HydrophobicContact CE2-CG 3.29Å; F457-F596 AromaticContact CE2-CZ 3.62Å; F457-F596 HydrophobicContact CE2-CZ 3.62Å; F457-F596 HydrophobicContact CZ-CD1 4.43Å; F457-F596 HydrophobicContact CZ-CD2 4.02Å; F457-F596 HydrophobicContact CZ-CE1 4.14Å; F457-F596 AromaticContact CZ-CE2 3.73Å; F457-F596 HydrophobicContact CZ-CE2 3.73Å; F457-F596 HydrophobicContact CZ-CG 4.39Å; F457-F596 AromaticContact CZ-CZ 3.81Å; F457-F596 HydrophobicContact CZ-CZ 3.81Å; L459-F596 HydrophobicContact CD1-CE2 3.94Å; H592-F596 HydrophobicContact CB-CE2 3.94Å; H592-F596 HydrophobicContact CB-CZ 4.09Å; H592-F596 WeakPolarHBondContact O-CD2 3.35Å; H592-F596 WeakPolarHBondContact O-CE2 3.39Å; H592-F596 VanDerWaalsContact O-CG 3.23Å; H592-F596 WeakPolarHBondContact O-CG 3.43Å; H592-F596 PolarHBondContact O-N 2.8Å; H592-F596 VanDerWaalsContact O-N 3.1Å; L593-F596 HydrophobicContact CD2-CD2 4.38Å; L593-F596 PolarHBondContact O-N 3.09Å; K594-F596 VanDerWaalsContact C-N 3.28Å; K594-F596 PolarHBondContact O-N 3.11Å |
| 597 | T | 81.7 | Confident | 79.9 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | trans | -115.6 | 138.5 | -179.9 | 73.4 | 0 | 0 | 0 | 0 | 111.6 | V455 L593 K594 A595 P957 W958 | V455-T597 HydrophobicContact CG2-CG2 3.59Å; L593-T597 WeakPolarHBondContact O-CG2 3.27Å; K594-T597 PolarHBondContact O-N 3.01Å; K594-T597 PolarHBondContact O-OG1 3.19Å; A595-T597 VanDerWaalsContact C-N 3.26Å; A595-T597 PolarHBondContact O-N 3.17Å; T597-P957 HydrophobicContact CG2-CB 4.26Å; T597-W958 HydrophobicContact CG2-CD2 4.3Å; T597-W958 HydrophobicContact CG2-CE3 4.4Å; T597-W958 HydrophobicContact CG2-CH2 3.83Å; T597-W958 HydrophobicContact CG2-CZ2 3.77Å; T597-W958 HydrophobicContact CG2-CZ3 4.23Å | ||
| 598 | Y | 84 | Confident | 80.6 | Confident | 26 Ų | 26 | 33.9 Ų | 33.9 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | trans | -126.1 | 69.8 | 176.9 | -176.4 | -138.2 | 0 | 0 | 0 | 111 | P414 S415 M418 L452 S600 G601 | P414-Y598 HydrophobicContact CB-CD1 4.45Å; P414-Y598 HydrophobicContact CB-CG 4.32Å; S415-Y598 VanDerWaalsContact CA-CD2 3.49Å; S415-Y598 VanDerWaalsContact CB-CD2 3.43Å; M418-Y598 HydrophobicContact CB-CD1 4.48Å; M418-Y598 HydrophobicContact CB-CE1 4.24Å; L452-Y598 HydrophobicContact CD1-CD1 4.09Å; L452-Y598 HydrophobicContact CD1-CE1 3.81Å; Y598-S600 VanDerWaalsContact C-N 3.28Å; Y598-S600 VanDerWaalsContact CD2-OG 3.31Å; Y598-S600 WeakPolarHBondContact CD2-OG 3.3Å; Y598-S600 WeakPolarHBondContact CE2-OG 3.28Å; Y598-S600 PolarHBondContact O-N 3.07Å; Y598-G601 VanDerWaalsContact CD1-CA 3.45Å; Y598-G601 PolarHBondContact O-N 3.31Å | ||
| 599 | L | 81.3 | Confident | 81.4 | Confident | 14.5 Ų | 14.5 | 31.5 Ų | 31.5 | 8% | 0.076 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -56.3 | -40.7 | -177.9 | -179.5 | 59.4 | 0 | 0 | 0 | 112.6 | G601 R602 N657 I664 | L599-G601 PolarHBondContact O-N 3.36Å; L599-R602 VanDerWaalsContact CD1-NH1 3.26Å; L599-R602 WeakPolarHBondContact O-CB 3.48Å; L599-R602 PolarHBondContact O-N 3.16Å; L599-N657 HydrophobicContact CD2-CB 3.96Å; L599-N657 WeakPolarHBondContact CD2-ND2 3.15Å; L599-I664 HydrophobicContact CD1-CD1 4.13Å; L599-I664 HydrophobicContact CG-CD1 4.27Å |
| 600 | S | 81 | Confident | 82.2 | Confident | 33 Ų | 33 | 34 Ų | 34 | 23% | 0.231 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -64.8 | -19 | 176.2 | 46.6 | 0 | 0 | 0 | 0 | 114 | Y598 R602 A603 | Y598-S600 VanDerWaalsContact C-N 3.28Å; Y598-S600 VanDerWaalsContact CD2-OG 3.31Å; Y598-S600 WeakPolarHBondContact CD2-OG 3.3Å; Y598-S600 WeakPolarHBondContact CE2-OG 3.28Å; Y598-S600 PolarHBondContact O-N 3.07Å; S600-R602 PolarHBondContact O-N 3.03Å; S600-A603 WeakPolarHBondContact O-CB 3.32Å; S600-A603 PolarHBondContact O-N 2.74Å; S600-A603 VanDerWaalsContact O-N 3.09Å |
| 601 | G | 76.3 | Confident | 82.7 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -69.3 | -22.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L452 Y598 L599 A603 E604 L605 | L452-G601 WeakPolarHBondContact CD1-O 3.27Å; L452-G601 WeakPolarHBondContact CD2-O 3.26Å; L452-G601 WeakPolarHBondContact CG-O 3.38Å; Y598-G601 VanDerWaalsContact CD1-CA 3.45Å; Y598-G601 PolarHBondContact O-N 3.31Å; L599-G601 PolarHBondContact O-N 3.36Å; G601-A603 PolarHBondContact O-N 3Å; G601-E604 WeakPolarHBondContact O-CB 3.43Å; G601-E604 PolarHBondContact O-N 3.02Å; G601-E604 VanDerWaalsContact O-N 3.12Å; G601-L605 PolarHBondContact O-N 3.17Å |
| 602 | R | 79.1 | Confident | 83.2 | Confident | 10.3333 Ų | 10.3333 | 25.8 Ų | 25.8 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -66.9 | -27.3 | 172.2 | -62.6 | -179.9 | -165.7 | 150.1 | 18.4 | 112.1 | I453 L599 S600 E604 L605 I664 Y953 S956 P957 W959 | I453-R602 PolarHBondContact O-NE 2.97Å; I453-R602 VanDerWaalsContact O-NE 3.09Å; I453-R602 PolarHBondContact O-NH2 2.89Å; L599-R602 VanDerWaalsContact CD1-NH1 3.26Å; L599-R602 WeakPolarHBondContact O-CB 3.48Å; L599-R602 PolarHBondContact O-N 3.16Å; S600-R602 PolarHBondContact O-N 3.03Å; R602-E604 PolarHBondContact O-N 3.14Å; R602-L605 VanDerWaalsContact O-CB 3.28Å; R602-L605 WeakPolarHBondContact O-CB 3.32Å; R602-L605 PolarHBondContact O-N 3.13Å; R602-I664 HydrophobicContact CB-CD1 4.05Å; R602-I664 HydrophobicContact CB-CG1 4.14Å; R602-I664 HydrophobicContact CB-CG2 4.39Å; R602-Y953 HydrophobicContact CB-CE1 4.43Å; R602-Y953 HydrophobicContact CG-CE1 4.43Å; R602-Y953 HydrophobicContact CG-CE2 4.49Å; R602-Y953 VanDerWaalsContact NH1-C 3.25Å; R602-Y953 PolarHBondContact NH1-O 3.33Å; R602-S956 PolarHBondContact NH1-O 3.05Å; R602-S956 PolarHBondContact NH2-O 3.34Å; R602-P957 PolarHBondContact NH2-O 2.96Å; R602-W959 VanDerWaalsContact NH2-CB 3.29Å |
| 603 | A | 77.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -23.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | S600 G601 L605 R663 I664 E667 | S600-A603 WeakPolarHBondContact O-CB 3.32Å; S600-A603 PolarHBondContact O-N 2.74Å; S600-A603 VanDerWaalsContact O-N 3.09Å; G601-A603 PolarHBondContact O-N 3Å; A603-L605 PolarHBondContact O-N 3.16Å; A603-R663 HydrophobicContact CB-CG 4.1Å; A603-R663 PolarHBondContact O-NH2 2.87Å; A603-I664 HydrophobicContact CB-CG1 4.03Å; A603-E667 VanDerWaalsContact C-OE2 3.23Å; A603-E667 HydrophobicContact CB-CB 4.15Å; A603-E667 HydrophobicContact CB-CG 4.46Å; A603-E667 WeakPolarHBondContact CB-OE2 3.22Å |
| 604 | E | 80.5 | Confident | 83.6 | Confident | 25.6667 Ų | 25.6667 | 30.7 Ų | 30.7 | 12% | 0.12 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2 | 172.1 | -54.4 | -72.2 | 145.3 | 0 | 0 | 112.7 | L422 L452 G601 R602 N606 R607 V608 R663 | L422-E604 HydrophobicContact CD1-CB 4.2Å; L422-E604 HydrophobicContact CD1-CG 4.49Å; L452-E604 HydrophobicContact CD1-CB 4.32Å; G601-E604 WeakPolarHBondContact O-CB 3.43Å; G601-E604 PolarHBondContact O-N 3.02Å; G601-E604 VanDerWaalsContact O-N 3.12Å; R602-E604 PolarHBondContact O-N 3.14Å; E604-N606 VanDerWaalsContact C-N 3.31Å; E604-N606 PolarHBondContact O-N 3Å; E604-R607 WeakPolarHBondContact O-CB 3.36Å; E604-R607 PolarHBondContact O-N 2.98Å; E604-R607 VanDerWaalsContact O-N 3.16Å; E604-R607 WeakPolarHBondContact OE2-CD 3.31Å; E604-R607 IonicContact OE2-CZ 3.51Å; E604-R607 IonicContact OE2-NE 3.32Å; E604-R607 IonicContact OE2-NH1 3.34Å; E604-R607 PolarHBondContact OE2-NH1 3.12Å; E604-V608 VanDerWaalsContact O-CG2 3.29Å; E604-V608 WeakPolarHBondContact O-CG2 3.37Å; E604-V608 PolarHBondContact O-N 2.96Å; E604-R663 IonicContact OE1-CZ 3.35Å; E604-R663 IonicContact OE1-NH1 2.94Å; E604-R663 PolarHBondContact OE1-NH1 2.85Å; E604-R663 IonicContact OE1-NH2 3.17Å; E604-R663 PolarHBondContact OE1-NH2 2.81Å |
| 605 | L | 83.5 | Confident | 83.8 | Confident | 8.33333 Ų | 8.33333 | 23.3 Ų | 23.3 | 4% | 0.044 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.6 | -42.2 | -176.8 | 178.6 | 59.9 | 0 | 0 | 0 | 112.2 | G601 R602 A603 R607 V608 L609 I634 T638 I671 | G601-L605 PolarHBondContact O-N 3.17Å; R602-L605 VanDerWaalsContact O-CB 3.28Å; R602-L605 WeakPolarHBondContact O-CB 3.32Å; R602-L605 PolarHBondContact O-N 3.13Å; A603-L605 PolarHBondContact O-N 3.16Å; L605-R607 VanDerWaalsContact C-N 3.33Å; L605-R607 PolarHBondContact O-N 3Å; L605-V608 PolarHBondContact O-N 3.37Å; L605-L609 HydrophobicContact CD1-CD1 4.4Å; L605-L609 HydrophobicContact CD1-CG 4.37Å; L605-L609 HydrophobicContact CG-CD1 4.22Å; L605-L609 VanDerWaalsContact O-CG 3.31Å; L605-L609 WeakPolarHBondContact O-CG 3.17Å; L605-L609 PolarHBondContact O-N 3.23Å; L605-I634 HydrophobicContact CD1-CG2 3.74Å; L605-T638 HydrophobicContact CD1-CG2 4.44Å; L605-T638 HydrophobicContact CD2-CG2 4.21Å; L605-I671 HydrophobicContact CB-CD1 4.44Å; L605-I671 HydrophobicContact CD2-CD1 4.13Å; L605-I671 HydrophobicContact CG-CD1 4.28Å |
| 606 | N | 85.4 | Confident | 84 | Confident | 18.6667 Ų | 18.6667 | 22.4 Ų | 22.4 | 10% | 0.1 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 178.9 | -163 | 6.3 | 0 | 0 | 0 | 111.3 | E604 V608 L609 Q610 E667 N669 G670 I671 T674 | E604-N606 VanDerWaalsContact C-N 3.31Å; E604-N606 PolarHBondContact O-N 3Å; N606-V608 PolarHBondContact O-N 3.01Å; N606-L609 PolarHBondContact O-N 3.42Å; N606-Q610 VanDerWaalsContact O-CG 3.31Å; N606-Q610 WeakPolarHBondContact O-CG 3.24Å; N606-Q610 PolarHBondContact O-N 3.1Å; N606-Q610 PolarHBondContact OD1-NE2 3.27Å; N606-Q610 VanDerWaalsContact OD1-NE2 3.17Å; N606-E667 WeakPolarHBondContact CB-O 3.38Å; N606-E667 PolarHBondContact ND2-O 3.18Å; N606-N669 PolarHBondContact ND2-O 3.16Å; N606-G670 PolarHBondContact OD1-O 3.23Å; N606-I671 HydrophobicContact CB-CD1 4.07Å; N606-I671 HydrophobicContact CB-CG1 3.66Å; N606-T674 WeakPolarHBondContact OD1-CG2 3.19Å; N606-T674 PolarHBondContact OD1-OG1 2.96Å |
| 607 | R | 85.3 | Confident | 83.9 | Confident | 56.6667 Ų | 56.6667 | 23.7 Ų | 23.7 | 21% | 0.214 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 174.2 | -176 | -174 | 179.6 | -159.5 | -1.4 | 111.4 | D423 E426 E604 L605 L609 Q610 L611 | D423-R607 IonicContact OD1-CZ 2.76Å; D423-R607 IonicContact OD1-NH1 3.91Å; D423-R607 PolarHBondContact OD1-NH1 3.42Å; D423-R607 IonicContact OD1-NH2 3.31Å; D423-R607 PolarHBondContact OD1-NH2 3.17Å; E426-R607 VanDerWaalsContact CD-NH2 3.27Å; E426-R607 WeakPolarHBondContact OE1-CG 3.49Å; E426-R607 IonicContact OE1-CZ 2.71Å; E426-R607 IonicContact OE1-NE 3.63Å; E426-R607 PolarHBondContact OE1-NE 3.27Å; E426-R607 IonicContact OE1-NH2 2.94Å; E426-R607 PolarHBondContact OE1-NH2 2.59Å; E426-R607 IonicContact OE2-CZ 2.7Å; E426-R607 VanDerWaalsContact OE2-CZ 3.28Å; E426-R607 IonicContact OE2-NE 3.52Å; E426-R607 PolarHBondContact OE2-NE 2.82Å; E426-R607 IonicContact OE2-NH2 3.24Å; E426-R607 PolarHBondContact OE2-NH2 2.91Å; E604-R607 WeakPolarHBondContact O-CB 3.36Å; E604-R607 PolarHBondContact O-N 2.98Å; E604-R607 VanDerWaalsContact O-N 3.16Å; E604-R607 WeakPolarHBondContact OE2-CD 3.31Å; E604-R607 IonicContact OE2-CZ 3.51Å; E604-R607 IonicContact OE2-NE 3.32Å; E604-R607 IonicContact OE2-NH1 3.34Å; E604-R607 PolarHBondContact OE2-NH1 3.12Å; L605-R607 VanDerWaalsContact C-N 3.33Å; L605-R607 PolarHBondContact O-N 3Å; R607-L609 PolarHBondContact O-N 2.92Å; R607-Q610 PolarHBondContact O-N 3.2Å; R607-L611 WeakPolarHBondContact O-CG 3.36Å; R607-L611 PolarHBondContact O-N 2.92Å; R607-L611 VanDerWaalsContact O-N 3.08Å |
| 608 | V | 86.7 | Confident | 83.8 | Confident | 0.333333 Ų | 0.333333 | 24.8 Ų | 24.8 | 0% | 0.002 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | L422 I449 L452 E604 L605 N606 Q610 L611 L612 I634 | L422-V608 HydrophobicContact CD1-CG2 3.74Å; L422-V608 HydrophobicContact CD2-CG2 3.69Å; L422-V608 HydrophobicContact CG-CG2 4.39Å; I449-V608 HydrophobicContact CD1-CG1 3.93Å; L452-V608 HydrophobicContact CD1-CG2 3.87Å; L452-V608 HydrophobicContact CD2-CB 4.44Å; L452-V608 HydrophobicContact CD2-CG2 3.81Å; E604-V608 VanDerWaalsContact O-CG2 3.29Å; E604-V608 WeakPolarHBondContact O-CG2 3.37Å; E604-V608 PolarHBondContact O-N 2.96Å; L605-V608 PolarHBondContact O-N 3.37Å; N606-V608 PolarHBondContact O-N 3.01Å; V608-Q610 VanDerWaalsContact C-N 3.29Å; V608-Q610 PolarHBondContact O-N 3.17Å; V608-L611 PolarHBondContact O-N 3.23Å; V608-L612 HydrophobicContact CG1-CD1 3.72Å; V608-L612 HydrophobicContact CG1-CG 4.23Å; V608-L612 WeakPolarHBondContact O-CB 3.34Å; V608-L612 VanDerWaalsContact O-CG 3.26Å; V608-L612 WeakPolarHBondContact O-CG 3.29Å; V608-L612 PolarHBondContact O-N 3.2Å; V608-I634 HydrophobicContact CG1-CD1 3.9Å |
| 609 | L | 88.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 177.2 | -72.2 | 170.5 | 0 | 0 | 0 | 111.9 | L605 N606 R607 L612 S613 L631 I634 F635 I671 V675 I678 | L605-L609 HydrophobicContact CD1-CD1 4.4Å; L605-L609 HydrophobicContact CD1-CG 4.37Å; L605-L609 HydrophobicContact CG-CD1 4.22Å; L605-L609 VanDerWaalsContact O-CG 3.31Å; L605-L609 WeakPolarHBondContact O-CG 3.17Å; L605-L609 PolarHBondContact O-N 3.23Å; N606-L609 PolarHBondContact O-N 3.42Å; R607-L609 PolarHBondContact O-N 2.92Å; L609-L612 PolarHBondContact O-N 2.96Å; L609-S613 WeakPolarHBondContact O-CB 3.43Å; L609-S613 PolarHBondContact O-N 3.09Å; L609-L631 HydrophobicContact CD2-CD2 3.67Å; L609-I634 HydrophobicContact CD2-CD1 4.41Å; L609-I634 HydrophobicContact CD2-CG2 4.32Å; L609-F635 HydrophobicContact CD2-CE1 4.02Å; L609-F635 HydrophobicContact CD2-CZ 4.3Å; L609-I671 HydrophobicContact CD1-CG2 4.03Å; L609-V675 HydrophobicContact CD1-CG2 4.05Å; L609-V675 HydrophobicContact CD2-CG2 4.49Å; L609-I678 HydrophobicContact CB-CD1 4.23Å; L609-I678 HydrophobicContact CD2-CD1 4.14Å |
| 610 | Q | 88.3 | Confident | 83.6 | Confident | 89.3333 Ų | 89.3333 | 34.7 Ų | 34.7 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 174.7 | -68.7 | 171.8 | 17.9 | 0 | 0 | 111.7 | N606 R607 V608 L612 S613 H614 T674 | N606-Q610 VanDerWaalsContact O-CG 3.31Å; N606-Q610 WeakPolarHBondContact O-CG 3.24Å; N606-Q610 PolarHBondContact O-N 3.1Å; N606-Q610 PolarHBondContact OD1-NE2 3.27Å; N606-Q610 VanDerWaalsContact OD1-NE2 3.17Å; R607-Q610 PolarHBondContact O-N 3.2Å; V608-Q610 VanDerWaalsContact C-N 3.29Å; V608-Q610 PolarHBondContact O-N 3.17Å; Q610-L612 VanDerWaalsContact C-N 3.32Å; Q610-L612 PolarHBondContact O-N 3.01Å; Q610-S613 WeakPolarHBondContact O-CB 3.41Å; Q610-S613 PolarHBondContact O-N 3.09Å; Q610-S613 VanDerWaalsContact O-N 3.11Å; Q610-S613 PolarHBondContact O-OG 3.21Å; Q610-H614 PolarHBondContact O-CD2 3.13Å; Q610-H614 VanDerWaalsContact O-CD2 3.28Å; Q610-H614 PolarHBondContact O-N 3.27Å; Q610-H614 VanDerWaalsContact O-N 3.11Å; Q610-T674 HydrophobicContact CG-CG2 3.79Å |
| 611 | L | 87.7 | Confident | 83.5 | Confident | 10.3333 Ų | 10.3333 | 37.4 Ų | 37.4 | 5% | 0.054 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58 | -43 | 175.6 | -69.4 | 172.9 | 0 | 0 | 0 | 112.4 | L422 L425 E426 L429 R607 V608 S613 H614 G615 | L422-L611 HydrophobicContact CD2-CD1 4.31Å; L425-L611 HydrophobicContact CB-CD1 4.26Å; E426-L611 HydrophobicContact CB-CD2 4.26Å; E426-L611 HydrophobicContact CG-CD1 4.14Å; E426-L611 HydrophobicContact CG-CD2 4Å; E426-L611 HydrophobicContact CG-CG 4.4Å; L429-L611 HydrophobicContact CD1-CD2 3.49Å; L429-L611 VanDerWaalsContact CD1-CD2 3.47Å; R607-L611 WeakPolarHBondContact O-CG 3.36Å; R607-L611 PolarHBondContact O-N 2.92Å; R607-L611 VanDerWaalsContact O-N 3.08Å; V608-L611 PolarHBondContact O-N 3.23Å; L611-S613 VanDerWaalsContact C-N 3.31Å; L611-S613 PolarHBondContact O-N 3.1Å; L611-H614 WeakPolarHBondContact O-CB 3.32Å; L611-H614 PolarHBondContact O-N 2.97Å; L611-G615 PolarHBondContact O-N 3.1Å; L611-G615 VanDerWaalsContact O-N 3.14Å |
| 612 | L | 89.2 | Confident | 83.7 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.7 | -31.5 | 177.5 | -66.9 | 174 | 0 | 0 | 0 | 112.5 | L442 L445 V608 L609 Q610 H614 G615 L616 C630 L631 I634 | L442-L612 HydrophobicContact CD1-CD2 3.69Å; L445-L612 HydrophobicContact CD2-CD2 4.09Å; V608-L612 HydrophobicContact CG1-CD1 3.72Å; V608-L612 HydrophobicContact CG1-CG 4.23Å; V608-L612 WeakPolarHBondContact O-CB 3.34Å; V608-L612 VanDerWaalsContact O-CG 3.26Å; V608-L612 WeakPolarHBondContact O-CG 3.29Å; V608-L612 PolarHBondContact O-N 3.2Å; L609-L612 PolarHBondContact O-N 2.96Å; Q610-L612 VanDerWaalsContact C-N 3.32Å; Q610-L612 PolarHBondContact O-N 3.01Å; L612-H614 VanDerWaalsContact C-N 3.29Å; L612-H614 PolarHBondContact O-N 3.39Å; L612-G615 CarbonylContact O-C 3.39Å; L612-G615 PolarHBondContact O-N 3.21Å; L612-G615 VanDerWaalsContact O-N 3.13Å; L612-L616 WeakPolarHBondContact O-CG 3.42Å; L612-L616 PolarHBondContact O-N 2.9Å; L612-C630 HydrophobicContact CD1-CB 3.61Å; L612-C630 HydrophobicContact CD2-CB 3.51Å; L612-C630 VanDerWaalsContact CD2-CB 3.46Å; L612-C630 HydrophobicContact CG-CB 4.23Å; L612-L631 HydrophobicContact CB-CD1 4.38Å; L612-L631 HydrophobicContact CB-CD2 3.83Å; L612-L631 HydrophobicContact CB-CG 4.01Å; L612-L631 HydrophobicContact CD1-CD2 3.7Å; L612-L631 HydrophobicContact CD1-CG 3.97Å; L612-L631 HydrophobicContact CG-CD2 4.38Å; L612-L631 HydrophobicContact CG-CG 4.45Å; L612-I634 HydrophobicContact CD1-CD1 3.41Å; L612-I634 VanDerWaalsContact CD1-CD1 3.42Å |
| 613 | S | 88.5 | Confident | 84 | Confident | 23.6667 Ų | 23.6667 | 42.8 Ų | 42.8 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -36.1 | 172.6 | 112.6 | 0 | 0 | 0 | 0 | 111.9 | L609 Q610 L611 G615 L616 R681 | L609-S613 WeakPolarHBondContact O-CB 3.43Å; L609-S613 PolarHBondContact O-N 3.09Å; Q610-S613 WeakPolarHBondContact O-CB 3.41Å; Q610-S613 PolarHBondContact O-N 3.09Å; Q610-S613 VanDerWaalsContact O-N 3.11Å; Q610-S613 PolarHBondContact O-OG 3.21Å; L611-S613 VanDerWaalsContact C-N 3.31Å; L611-S613 PolarHBondContact O-N 3.1Å; S613-G615 VanDerWaalsContact C-N 3.29Å; S613-G615 PolarHBondContact O-N 3.01Å; S613-L616 WeakPolarHBondContact O-CB 3.26Å; S613-L616 PolarHBondContact O-N 2.8Å; S613-R681 PolarHBondContact O-NH1 2.99Å |
| 614 | H | 85.3 | Confident | 84.4 | Confident | 115.667 Ų | 115.667 | 42.7 Ų | 42.7 | 54% | 0.535 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.9 | -34.4 | 171.6 | -72.8 | -74.3 | 0 | 0 | 0 | 112.7 | L429 Q610 L611 L612 L616 | L429-H614 HydrophobicContact CD1-CB 4.19Å; L429-H614 HydrophobicContact CD2-CB 3.97Å; Q610-H614 PolarHBondContact O-CD2 3.13Å; Q610-H614 VanDerWaalsContact O-CD2 3.28Å; Q610-H614 PolarHBondContact O-N 3.27Å; Q610-H614 VanDerWaalsContact O-N 3.11Å; L611-H614 WeakPolarHBondContact O-CB 3.32Å; L611-H614 PolarHBondContact O-N 2.97Å; L612-H614 VanDerWaalsContact C-N 3.29Å; L612-H614 PolarHBondContact O-N 3.39Å; H614-L616 VanDerWaalsContact C-N 3.29Å; H614-L616 PolarHBondContact O-N 3.12Å |
| 615 | G | 83.6 | Confident | 84.5 | Confident | 0.666667 Ų | 0.666667 | 42 Ų | 42 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.8 | -16.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L611 L612 S613 D617 R623 F624 S627 | L611-G615 PolarHBondContact O-N 3.1Å; L611-G615 VanDerWaalsContact O-N 3.14Å; L612-G615 CarbonylContact O-C 3.39Å; L612-G615 PolarHBondContact O-N 3.21Å; L612-G615 VanDerWaalsContact O-N 3.13Å; S613-G615 VanDerWaalsContact C-N 3.29Å; S613-G615 PolarHBondContact O-N 3.01Å; G615-D617 VanDerWaalsContact C-N 3.28Å; G615-D617 PolarHBondContact O-N 3.19Å; G615-R623 CarbonylContact O-C 3.58Å; G615-R623 VanDerWaalsContact O-C 3.3Å; G615-F624 PolarHBondContact O-N 3.2Å; G615-S627 VanDerWaalsContact CA-OG 3.28Å; G615-S627 WeakPolarHBondContact CA-OG 3.38Å; G615-S627 PolarHBondContact O-OG 3.25Å; G615-S627 VanDerWaalsContact O-OG 3.12Å |
| 616 | L | 86 | Confident | 84.5 | Confident | 0.666667 Ų | 0.666667 | 42.9 Ų | 42.9 | 0% | 0.003 | 21% | 0.207 | C | C | . | . | trans | -72.7 | 73.4 | 169.5 | -72.2 | 176.7 | 0 | 0 | 0 | 110.9 | L612 S613 H614 F624 V628 L631 I678 R681 I682 Y685 | L612-L616 WeakPolarHBondContact O-CG 3.42Å; L612-L616 PolarHBondContact O-N 2.9Å; S613-L616 WeakPolarHBondContact O-CB 3.26Å; S613-L616 PolarHBondContact O-N 2.8Å; H614-L616 VanDerWaalsContact C-N 3.29Å; H614-L616 PolarHBondContact O-N 3.12Å; L616-F624 HydrophobicContact CD2-CD2 4.11Å; L616-F624 HydrophobicContact CD2-CE2 4.16Å; L616-V628 HydrophobicContact CD2-CG2 3.81Å; L616-L631 HydrophobicContact CD1-CD1 3.71Å; L616-L631 HydrophobicContact CD2-CD1 4.1Å; L616-L631 HydrophobicContact CG-CD1 4.02Å; L616-I678 HydrophobicContact CD1-CG2 3.99Å; L616-R681 WeakPolarHBondContact O-CD 3.24Å; L616-R681 VanDerWaalsContact O-CZ 3.26Å; L616-R681 PolarHBondContact O-NE 3.32Å; L616-R681 VanDerWaalsContact O-NE 3.09Å; L616-R681 PolarHBondContact O-NH1 3.27Å; L616-R681 PolarHBondContact O-NH2 3.41Å; L616-R681 VanDerWaalsContact O-NH2 3.11Å; L616-I682 HydrophobicContact CD1-CG1 4.42Å; L616-Y685 HydrophobicContact CB-CE2 4.27Å; L616-Y685 VanDerWaalsContact O-CE2 3.31Å; L616-Y685 WeakPolarHBondContact O-CE2 3.45Å; L616-Y685 VanDerWaalsContact O-CZ 3.26Å; L616-Y685 PolarHBondContact O-OH 2.99Å; L616-Y685 VanDerWaalsContact O-OH 3.1Å | ||
| 617 | D | 82.6 | Confident | 84.6 | Confident | 38.3333 Ų | 38.3333 | 42 Ų | 42 | 21% | 0.205 | 20% | 0.202 | C | C | . | . | trans | -125.7 | 113.4 | 174.6 | -176.3 | 1.6 | 0 | 0 | 0 | 110.8 | G615 N619 Y620 | G615-D617 VanDerWaalsContact C-N 3.28Å; G615-D617 PolarHBondContact O-N 3.19Å; D617-N619 PolarHBondContact O-N 3.13Å; D617-N619 VanDerWaalsContact O-N 3.15Å; D617-N619 WeakPolarHBondContact OD1-CB 3.34Å; D617-N619 PolarHBondContact OD1-N 3.24Å; D617-N619 VanDerWaalsContact OD1-N 3.09Å; D617-N619 PolarHBondContact OD1-ND2 3.1Å; D617-Y620 HydrophobicContact CB-CD2 4.44Å; D617-Y620 CarbonylContact O-C 3.1Å; D617-Y620 PolarHBondContact O-N 2.9Å; D617-Y620 VanDerWaalsContact O-N 3.15Å; D617-Y620 VanDerWaalsContact OD2-CD2 3.31Å; D617-Y620 WeakPolarHBondContact OD2-CD2 3.35Å | ||
| 618 | M | 78.2 | Confident | 84.6 | Confident | 41.3333 Ų | 41.3333 | 39.4 Ų | 39.4 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.9 | -179 | -68.6 | -67.7 | -69.6 | 0 | 0 | 113.3 | Y620 F624 Y685 L689 Q729 | M618-Y620 PolarHBondContact O-N 2.93Å; M618-F624 HydrophobicContact CG-CD2 4.45Å; M618-F624 HydrophobicContact CG-CE2 4.39Å; M618-F624 HydrophobicContact SD-CD1 4.18Å; M618-F624 HydrophobicContact SD-CD2 3.66Å; M618-F624 HydrophobicContact SD-CE1 3.9Å; M618-F624 HydrophobicContact SD-CE2 3.35Å; M618-F624 WeakPolarHBondContact SD-CE2 3.43Å; M618-F624 HydrophobicContact SD-CG 4.05Å; M618-F624 HydrophobicContact SD-CZ 3.47Å; M618-F624 VanDerWaalsContact SD-CZ 3.5Å; M618-F624 WeakPolarHBondContact SD-CZ 3.42Å; M618-Y685 HydrophobicContact CB-CD1 4.45Å; M618-Y685 HydrophobicContact CB-CE1 4.26Å; M618-Y685 HydrophobicContact CG-CD1 3.43Å; M618-Y685 VanDerWaalsContact CG-CD1 3.45Å; M618-Y685 HydrophobicContact CG-CD2 4.02Å; M618-Y685 HydrophobicContact CG-CE1 3.64Å; M618-Y685 HydrophobicContact CG-CE2 4.01Å; M618-Y685 HydrophobicContact CG-CG 3.65Å; M618-Y685 HydrophobicContact SD-CD2 4.36Å; M618-Y685 HydrophobicContact SD-CG 4.29Å; M618-L689 HydrophobicContact CE-CD1 3.94Å; M618-L689 HydrophobicContact CE-CD2 3.82Å; M618-L689 HydrophobicContact CE-CG 4.04Å; M618-Q729 HydrophobicContact CE-CB 4.39Å; M618-Q729 HydrophobicContact CE-CG 4.48Å |
| 619 | N | 80 | Confident | 84.2 | Confident | 137.667 Ų | 137.667 | 39.5 Ų | 39.5 | 74% | 0.736 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20.7 | 176.6 | -61.3 | -59.2 | 0 | 0 | 0 | 112.6 | D617 | D617-N619 PolarHBondContact O-N 3.13Å; D617-N619 VanDerWaalsContact O-N 3.15Å; D617-N619 WeakPolarHBondContact OD1-CB 3.34Å; D617-N619 PolarHBondContact OD1-N 3.24Å; D617-N619 VanDerWaalsContact OD1-N 3.09Å; D617-N619 PolarHBondContact OD1-ND2 3.1Å |
| 620 | Y | 81.5 | Confident | 83.9 | Confident | 110 Ų | 110 | 39.4 Ų | 39.4 | 43% | 0.431 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -121.8 | 84.5 | 179.8 | -64.6 | -76.6 | 0 | 0 | 0 | 110.4 | D617 M618 D622 R623 F624 | D617-Y620 HydrophobicContact CB-CD2 4.44Å; D617-Y620 CarbonylContact O-C 3.1Å; D617-Y620 PolarHBondContact O-N 2.9Å; D617-Y620 VanDerWaalsContact O-N 3.15Å; D617-Y620 VanDerWaalsContact OD2-CD2 3.31Å; D617-Y620 WeakPolarHBondContact OD2-CD2 3.35Å; M618-Y620 PolarHBondContact O-N 2.93Å; Y620-D622 VanDerWaalsContact C-N 3.26Å; Y620-D622 PolarHBondContact O-N 3.01Å; Y620-D622 VanDerWaalsContact O-N 3.1Å; Y620-R623 VanDerWaalsContact CD2-NH1 3.34Å; Y620-R623 WeakPolarHBondContact O-CB 3.34Å; Y620-R623 PolarHBondContact O-N 3.3Å; Y620-F624 PolarHBondContact O-N 3Å |
| 621 | I | 80 | Confident | 83.8 | Confident | 89.3333 Ų | 89.3333 | 35.2 Ų | 35.2 | 46% | 0.458 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -46.3 | -45.8 | -174.6 | -63.5 | 172.6 | 0 | 0 | 0 | 112.5 | F624 N625 | I621-F624 PolarHBondContact O-N 3.47Å; I621-N625 VanDerWaalsContact CG2-ND2 3.32Å; I621-N625 WeakPolarHBondContact CG2-ND2 3.37Å; I621-N625 VanDerWaalsContact O-CB 3.32Å; I621-N625 WeakPolarHBondContact O-CB 3.47Å; I621-N625 PolarHBondContact O-N 3.19Å; I621-N625 PolarHBondContact O-ND2 3.15Å |
| 622 | D | 80.2 | Confident | 83.5 | Confident | 92 Ų | 92 | 34.7 Ų | 34.7 | 49% | 0.492 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.9 | -48.2 | -179.2 | -52.2 | -30.5 | 0 | 0 | 0 | 111.8 | T439 Y620 F624 N625 Y626 | T439-D622 HydrophobicContact CG2-CB 4.22Å; Y620-D622 VanDerWaalsContact C-N 3.26Å; Y620-D622 PolarHBondContact O-N 3.01Å; Y620-D622 VanDerWaalsContact O-N 3.1Å; D622-F624 VanDerWaalsContact C-N 3.31Å; D622-F624 PolarHBondContact O-N 3.24Å; D622-N625 PolarHBondContact O-N 3.21Å; D622-N625 VanDerWaalsContact O-N 3.17Å; D622-Y626 HydrophobicContact CB-CD2 4.29Å; D622-Y626 HydrophobicContact CB-CE2 3.75Å; D622-Y626 WeakPolarHBondContact O-CD2 3.25Å; D622-Y626 VanDerWaalsContact O-CG 3.26Å; D622-Y626 PolarHBondContact O-N 3.06Å |
| 623 | R | 84.4 | Confident | 83 | Confident | 34.6667 Ų | 34.6667 | 35.4 Ų | 35.4 | 13% | 0.131 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 178.4 | -66 | 179.3 | 174.4 | 177.3 | -17.5 | 111.2 | P435 F438 T439 L442 G615 Y620 S627 | P435-R623 VanDerWaalsContact CB-NH2 3.3Å; P435-R623 PolarHBondContact O-NH2 3.27Å; F438-R623 HydrophobicContact CD1-CG 4.41Å; T439-R623 HydrophobicContact CG2-CG 3.98Å; T439-R623 WeakPolarHBondContact OG1-CG 3.46Å; T439-R623 PolarHBondContact OG1-NE 2.99Å; L442-R623 HydrophobicContact CD2-CB 4.12Å; L442-R623 HydrophobicContact CD2-CG 4.44Å; G615-R623 CarbonylContact O-C 3.58Å; G615-R623 VanDerWaalsContact O-C 3.3Å; Y620-R623 VanDerWaalsContact CD2-NH1 3.34Å; Y620-R623 WeakPolarHBondContact O-CB 3.34Å; Y620-R623 PolarHBondContact O-N 3.3Å; R623-S627 VanDerWaalsContact O-CB 3.27Å; R623-S627 WeakPolarHBondContact O-CB 3.36Å; R623-S627 PolarHBondContact O-N 3.11Å; R623-S627 PolarHBondContact O-OG 3.19Å |
| 624 | F | 86.1 | Confident | 82.6 | Confident | 0.666667 Ų | 0.666667 | 34.3 Ų | 34.3 | 0% | 0.003 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -49.5 | 175.6 | 175.3 | -97.7 | 0 | 0 | 0 | 111.3 | G615 L616 M618 Y620 I621 D622 Y626 S627 V628 Y685 Q729 L733 | G615-F624 PolarHBondContact O-N 3.2Å; L616-F624 HydrophobicContact CD2-CD2 4.11Å; L616-F624 HydrophobicContact CD2-CE2 4.16Å; M618-F624 HydrophobicContact CG-CD2 4.45Å; M618-F624 HydrophobicContact CG-CE2 4.39Å; M618-F624 HydrophobicContact SD-CD1 4.18Å; M618-F624 HydrophobicContact SD-CD2 3.66Å; M618-F624 HydrophobicContact SD-CE1 3.9Å; M618-F624 HydrophobicContact SD-CE2 3.35Å; M618-F624 WeakPolarHBondContact SD-CE2 3.43Å; M618-F624 HydrophobicContact SD-CG 4.05Å; M618-F624 HydrophobicContact SD-CZ 3.47Å; M618-F624 VanDerWaalsContact SD-CZ 3.5Å; M618-F624 WeakPolarHBondContact SD-CZ 3.42Å; Y620-F624 PolarHBondContact O-N 3Å; I621-F624 PolarHBondContact O-N 3.47Å; D622-F624 VanDerWaalsContact C-N 3.31Å; D622-F624 PolarHBondContact O-N 3.24Å; F624-Y626 PolarHBondContact O-N 3.43Å; F624-S627 PolarHBondContact O-N 2.93Å; F624-V628 HydrophobicContact CD1-CG2 4.37Å; F624-V628 HydrophobicContact CD2-CG2 4.39Å; F624-V628 HydrophobicContact CE1-CG2 4.03Å; F624-V628 HydrophobicContact CE2-CG2 4.04Å; F624-V628 HydrophobicContact CG-CG2 4.47Å; F624-V628 HydrophobicContact CZ-CG2 3.86Å; F624-V628 WeakPolarHBondContact O-CB 3.26Å; F624-V628 VanDerWaalsContact O-CG2 3.3Å; F624-V628 WeakPolarHBondContact O-CG2 3.36Å; F624-V628 PolarHBondContact O-N 3.16Å; F624-Y685 AromaticContact CE2-CD2 3.99Å; F624-Y685 HydrophobicContact CE2-CD2 4.11Å; F624-Y685 HydrophobicContact CE2-CE2 4.26Å; F624-Q729 HydrophobicContact CE1-CB 4.29Å; F624-Q729 HydrophobicContact CE1-CG 4.26Å; F624-L733 HydrophobicContact CE2-CD2 3.94Å; F624-L733 HydrophobicContact CE2-CG 4.43Å; F624-L733 HydrophobicContact CZ-CD1 4.11Å; F624-L733 HydrophobicContact CZ-CD2 3.54Å; F624-L733 VanDerWaalsContact CZ-CD2 3.47Å; F624-L733 HydrophobicContact CZ-CG 3.84Å |
| 625 | N | 82.6 | Confident | 82.5 | Confident | 11.6667 Ų | 11.6667 | 28.9 Ų | 28.9 | 6% | 0.062 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | -179.7 | -74.5 | -53 | 0 | 0 | 0 | 112.6 | I621 D622 S627 V628 S629 R732 L1253 P1254 | I621-N625 VanDerWaalsContact CG2-ND2 3.32Å; I621-N625 WeakPolarHBondContact CG2-ND2 3.37Å; I621-N625 VanDerWaalsContact O-CB 3.32Å; I621-N625 WeakPolarHBondContact O-CB 3.47Å; I621-N625 PolarHBondContact O-N 3.19Å; I621-N625 PolarHBondContact O-ND2 3.15Å; D622-N625 PolarHBondContact O-N 3.21Å; D622-N625 VanDerWaalsContact O-N 3.17Å; N625-S627 VanDerWaalsContact C-N 3.3Å; N625-S627 PolarHBondContact O-N 3.23Å; N625-V628 PolarHBondContact O-N 3.16Å; N625-S629 VanDerWaalsContact O-CB 3.32Å; N625-S629 WeakPolarHBondContact O-CB 3.39Å; N625-S629 PolarHBondContact O-N 3.08Å; N625-R732 PolarHBondContact ND2-NH1 3.42Å; N625-R732 VanDerWaalsContact ND2-NH1 3.17Å; N625-R732 PolarHBondContact OD1-NH1 3.16Å; N625-L1253 HydrophobicContact CB-CD2 4.1Å; N625-P1254 HydrophobicContact CB-CG 4.17Å; N625-P1254 WeakPolarHBondContact ND2-CG 3.39Å |
| 626 | Y | 83.5 | Confident | 82.1 | Confident | 26 Ų | 26 | 30.3 Ų | 30.3 | 10% | 0.102 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 174.9 | -60.8 | -49.4 | 0 | 0 | 0 | 111.3 | T439 H443 A446 D622 F624 S629 C630 L1253 | T439-Y626 HydrophobicContact CG2-CD2 4.3Å; T439-Y626 HydrophobicContact CG2-CE2 3.94Å; H443-Y626 HydrophobicContact CB-CD1 4.2Å; H443-Y626 HydrophobicContact CB-CD2 4.11Å; H443-Y626 HydrophobicContact CB-CE1 3.92Å; H443-Y626 HydrophobicContact CB-CE2 3.8Å; H443-Y626 HydrophobicContact CB-CG 4.35Å; H443-Y626 AromaticContact CD2-CD1 3.65Å; H443-Y626 AromaticContact CD2-CE1 3.09Å; H443-Y626 WeakPolarHBondContact CD2-CE1 3.4Å; H443-Y626 AromaticContact CD2-CZ 3.61Å; H443-Y626 AromaticContact CE1-CE1 3.86Å; H443-Y626 AromaticContact CE1-CZ 3.96Å; H443-Y626 PolarHBondContact CE1-OH 3.15Å; H443-Y626 AromaticContact CG-CE1 3.41Å; H443-Y626 VanDerWaalsContact CG-CE1 3.44Å; H443-Y626 AromaticContact CG-CE2 3.98Å; H443-Y626 AromaticContact CG-CZ 3.4Å; H443-Y626 VanDerWaalsContact CG-CZ 3.42Å; H443-Y626 AromaticContact ND1-CE1 3.83Å; H443-Y626 AromaticContact ND1-CZ 3.64Å; H443-Y626 PolarHBondContact ND1-OH 3.03Å; H443-Y626 AromaticContact NE2-CE1 3.48Å; H443-Y626 WeakPolarHBondContact NE2-CE1 3.34Å; H443-Y626 AromaticContact NE2-CZ 3.93Å; A446-Y626 HydrophobicContact CB-CD1 4.34Å; D622-Y626 HydrophobicContact CB-CD2 4.29Å; D622-Y626 HydrophobicContact CB-CE2 3.75Å; D622-Y626 WeakPolarHBondContact O-CD2 3.25Å; D622-Y626 VanDerWaalsContact O-CG 3.26Å; D622-Y626 PolarHBondContact O-N 3.06Å; F624-Y626 PolarHBondContact O-N 3.43Å; Y626-S629 CarbonylContact O-C 3.48Å; Y626-S629 WeakPolarHBondContact O-CA 3.48Å; Y626-S629 VanDerWaalsContact O-CB 3.31Å; Y626-S629 WeakPolarHBondContact O-CB 3.41Å; Y626-S629 PolarHBondContact O-N 2.89Å; Y626-S629 VanDerWaalsContact O-N 3.15Å; Y626-C630 WeakPolarHBondContact O-CB 3.46Å; Y626-C630 PolarHBondContact O-N 2.88Å; Y626-C630 PolarHBondContact O-SG 3.17Å; Y626-C630 VanDerWaalsContact O-SG 3.35Å; Y626-L1253 HydrophobicContact CD1-CD1 3.91Å; Y626-L1253 HydrophobicContact CD1-CD2 3.83Å; Y626-L1253 VanDerWaalsContact CD1-CD2 3.44Å; Y626-L1253 HydrophobicContact CD1-CG 4.34Å; Y626-L1253 HydrophobicContact CE1-CD1 3.76Å; Y626-L1253 HydrophobicContact CE1-CD2 3.83Å; Y626-L1253 HydrophobicContact CE1-CG 4.4Å; Y626-L1253 HydrophobicContact CG-CD2 4.45Å |
| 627 | S | 87.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 178.5 | -58 | 0 | 0 | 0 | 0 | 112.4 | G615 R623 F624 N625 S629 C630 L631 | G615-S627 VanDerWaalsContact CA-OG 3.28Å; G615-S627 WeakPolarHBondContact CA-OG 3.38Å; G615-S627 PolarHBondContact O-OG 3.25Å; G615-S627 VanDerWaalsContact O-OG 3.12Å; R623-S627 VanDerWaalsContact O-CB 3.27Å; R623-S627 WeakPolarHBondContact O-CB 3.36Å; R623-S627 PolarHBondContact O-N 3.11Å; R623-S627 PolarHBondContact O-OG 3.19Å; F624-S627 PolarHBondContact O-N 2.93Å; N625-S627 VanDerWaalsContact C-N 3.3Å; N625-S627 PolarHBondContact O-N 3.23Å; S627-S629 VanDerWaalsContact C-N 3.28Å; S627-S629 PolarHBondContact O-N 2.86Å; S627-C630 PolarHBondContact O-N 3.41Å; S627-L631 WeakPolarHBondContact O-CB 3.27Å; S627-L631 VanDerWaalsContact O-CG 3.28Å; S627-L631 WeakPolarHBondContact O-CG 3.42Å; S627-L631 PolarHBondContact O-N 3.27Å |
| 628 | V | 84.8 | Confident | 81 | Confident | 1.33333 Ų | 1.33333 | 29.1 Ų | 29.1 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60 | -39.1 | 173.5 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | L616 F624 N625 L631 S632 R732 L733 L736 C1250 | L616-V628 HydrophobicContact CD2-CG2 3.81Å; F624-V628 HydrophobicContact CD1-CG2 4.37Å; F624-V628 HydrophobicContact CD2-CG2 4.39Å; F624-V628 HydrophobicContact CE1-CG2 4.03Å; F624-V628 HydrophobicContact CE2-CG2 4.04Å; F624-V628 HydrophobicContact CG-CG2 4.47Å; F624-V628 HydrophobicContact CZ-CG2 3.86Å; F624-V628 WeakPolarHBondContact O-CB 3.26Å; F624-V628 VanDerWaalsContact O-CG2 3.3Å; F624-V628 WeakPolarHBondContact O-CG2 3.36Å; F624-V628 PolarHBondContact O-N 3.16Å; N625-V628 PolarHBondContact O-N 3.16Å; V628-L631 PolarHBondContact O-N 3.5Å; V628-S632 VanDerWaalsContact O-CB 3.28Å; V628-S632 WeakPolarHBondContact O-CB 3.2Å; V628-S632 PolarHBondContact O-N 3.19Å; V628-S632 PolarHBondContact O-OG 3.2Å; V628-R732 HydrophobicContact CG1-CB 4.23Å; V628-L733 HydrophobicContact CG2-CD2 4.3Å; V628-L736 HydrophobicContact CB-CD2 4.5Å; V628-L736 HydrophobicContact CG1-CB 4.24Å; V628-L736 HydrophobicContact CG1-CD2 4.31Å; V628-L736 HydrophobicContact CG2-CD2 4.21Å; V628-C1250 HydrophobicContact CG1-CB 3.68Å |
| 629 | S | 78.8 | Confident | 80.9 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.1 | -36.5 | 177.2 | -153.7 | 0 | 0 | 0 | 0 | 112.8 | N625 Y626 S627 S632 R633 C1250 L1251 | N625-S629 VanDerWaalsContact O-CB 3.32Å; N625-S629 WeakPolarHBondContact O-CB 3.39Å; N625-S629 PolarHBondContact O-N 3.08Å; Y626-S629 CarbonylContact O-C 3.48Å; Y626-S629 WeakPolarHBondContact O-CA 3.48Å; Y626-S629 VanDerWaalsContact O-CB 3.31Å; Y626-S629 WeakPolarHBondContact O-CB 3.41Å; Y626-S629 PolarHBondContact O-N 2.89Å; Y626-S629 VanDerWaalsContact O-N 3.15Å; S627-S629 VanDerWaalsContact C-N 3.28Å; S627-S629 PolarHBondContact O-N 2.86Å; S629-S632 PolarHBondContact O-OG 3.12Å; S629-S632 VanDerWaalsContact O-OG 3.11Å; S629-R633 VanDerWaalsContact C-NH1 3.3Å; S629-R633 VanDerWaalsContact O-CG 3.29Å; S629-R633 WeakPolarHBondContact O-CG 3.38Å; S629-R633 PolarHBondContact O-N 3.33Å; S629-R633 PolarHBondContact O-NH1 3.09Å; S629-R633 PolarHBondContact OG-NH1 2.83Å; S629-R633 PolarHBondContact OG-NH2 3.14Å; S629-R633 VanDerWaalsContact OG-NH2 3.13Å; S629-C1250 WeakPolarHBondContact CA-O 3.25Å; S629-C1250 PolarHBondContact OG-O 2.97Å; S629-L1251 PolarHBondContact OG-O 3.12Å; S629-L1251 VanDerWaalsContact OG-O 3.09Å |
| 630 | C | 83.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.3 | -53.2 | 171.2 | -68.4 | 0 | 0 | 0 | 0 | 111.4 | A446 L612 Y626 S627 S632 R633 I634 | A446-C630 WeakPolarHBondContact CA-SG 3.28Å; L612-C630 HydrophobicContact CD1-CB 3.61Å; L612-C630 HydrophobicContact CD2-CB 3.51Å; L612-C630 VanDerWaalsContact CD2-CB 3.46Å; L612-C630 HydrophobicContact CG-CB 4.23Å; Y626-C630 WeakPolarHBondContact O-CB 3.46Å; Y626-C630 PolarHBondContact O-N 2.88Å; Y626-C630 PolarHBondContact O-SG 3.17Å; Y626-C630 VanDerWaalsContact O-SG 3.35Å; S627-C630 PolarHBondContact O-N 3.41Å; C630-S632 VanDerWaalsContact C-N 3.33Å; C630-S632 PolarHBondContact O-N 3.15Å; C630-R633 PolarHBondContact O-N 3.15Å; C630-R633 VanDerWaalsContact O-N 3.16Å; C630-I634 VanDerWaalsContact O-CG1 3.31Å; C630-I634 WeakPolarHBondContact O-CG1 3.14Å; C630-I634 PolarHBondContact O-N 3.17Å |
| 631 | L | 86.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | -176.1 | -70.2 | 169.2 | 0 | 0 | 0 | 112 | L609 L612 L616 S627 V628 R633 I634 F635 I678 L736 | L609-L631 HydrophobicContact CD2-CD2 3.67Å; L612-L631 HydrophobicContact CB-CD1 4.38Å; L612-L631 HydrophobicContact CB-CD2 3.83Å; L612-L631 HydrophobicContact CB-CG 4.01Å; L612-L631 HydrophobicContact CD1-CD2 3.7Å; L612-L631 HydrophobicContact CD1-CG 3.97Å; L612-L631 HydrophobicContact CG-CD2 4.38Å; L612-L631 HydrophobicContact CG-CG 4.45Å; L616-L631 HydrophobicContact CD1-CD1 3.71Å; L616-L631 HydrophobicContact CD2-CD1 4.1Å; L616-L631 HydrophobicContact CG-CD1 4.02Å; S627-L631 WeakPolarHBondContact O-CB 3.27Å; S627-L631 VanDerWaalsContact O-CG 3.28Å; S627-L631 WeakPolarHBondContact O-CG 3.42Å; S627-L631 PolarHBondContact O-N 3.27Å; V628-L631 PolarHBondContact O-N 3.5Å; L631-R633 VanDerWaalsContact C-N 3.28Å; L631-R633 PolarHBondContact O-N 3.24Å; L631-I634 HydrophobicContact CD2-CD1 4.42Å; L631-I634 PolarHBondContact O-N 3.02Å; L631-F635 HydrophobicContact CB-CD2 4.46Å; L631-F635 HydrophobicContact CB-CE2 4.15Å; L631-F635 HydrophobicContact CB-CZ 4.36Å; L631-F635 HydrophobicContact CD2-CE1 4.34Å; L631-F635 HydrophobicContact CD2-CE2 4.42Å; L631-F635 HydrophobicContact CD2-CZ 4.1Å; L631-F635 WeakPolarHBondContact O-CB 3.37Å; L631-F635 VanDerWaalsContact O-CD2 3.28Å; L631-F635 WeakPolarHBondContact O-CD2 3.4Å; L631-F635 WeakPolarHBondContact O-CG 3.26Å; L631-F635 PolarHBondContact O-N 3.13Å; L631-I678 HydrophobicContact CD1-CG2 4.16Å; L631-I678 HydrophobicContact CD2-CD1 4.16Å; L631-L736 HydrophobicContact CB-CD1 3.61Å; L631-L736 VanDerWaalsContact CB-CD1 3.49Å; L631-L736 HydrophobicContact CB-CD2 4.33Å; L631-L736 HydrophobicContact CD1-CD2 4.27Å |
| 632 | S | 80.7 | Confident | 80 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.7 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | V628 S629 C630 I634 F635 L636 L736 C1250 | V628-S632 VanDerWaalsContact O-CB 3.28Å; V628-S632 WeakPolarHBondContact O-CB 3.2Å; V628-S632 PolarHBondContact O-N 3.19Å; V628-S632 PolarHBondContact O-OG 3.2Å; S629-S632 PolarHBondContact O-OG 3.12Å; S629-S632 VanDerWaalsContact O-OG 3.11Å; C630-S632 VanDerWaalsContact C-N 3.33Å; C630-S632 PolarHBondContact O-N 3.15Å; S632-I634 VanDerWaalsContact C-N 3.33Å; S632-I634 PolarHBondContact O-N 3.39Å; S632-F635 PolarHBondContact O-N 3.05Å; S632-L636 VanDerWaalsContact O-CB 3.3Å; S632-L636 WeakPolarHBondContact O-CB 3.24Å; S632-L636 VanDerWaalsContact O-CG 3.29Å; S632-L636 WeakPolarHBondContact O-CG 3.36Å; S632-L636 PolarHBondContact O-N 3.19Å; S632-L736 VanDerWaalsContact N-CD1 3.34Å; S632-C1250 WeakPolarHBondContact CB-SG 3.46Å; S632-C1250 PolarHBondContact OG-O 3.14Å |
| 633 | R | 77.8 | Confident | 79.4 | Confident | 15.3333 Ų | 15.3333 | 12.7 Ų | 12.7 | 6% | 0.058 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 173.3 | -72 | 175.9 | -177.5 | 92.5 | -1.2 | 111.8 | A446 I449 S629 C630 L631 L636 S637 L1251 | A446-R633 VanDerWaalsContact O-CD 3.24Å; A446-R633 WeakPolarHBondContact O-CD 3.28Å; A446-R633 VanDerWaalsContact O-CZ 3.24Å; A446-R633 PolarHBondContact O-NE 3.12Å; A446-R633 PolarHBondContact O-NH1 2.89Å; I449-R633 HydrophobicContact CG2-CB 3.71Å; I449-R633 VanDerWaalsContact CG2-CD 3.46Å; I449-R633 HydrophobicContact CG2-CG 4.19Å; S629-R633 VanDerWaalsContact C-NH1 3.3Å; S629-R633 VanDerWaalsContact O-CG 3.29Å; S629-R633 WeakPolarHBondContact O-CG 3.38Å; S629-R633 PolarHBondContact O-N 3.33Å; S629-R633 PolarHBondContact O-NH1 3.09Å; S629-R633 PolarHBondContact OG-NH1 2.83Å; S629-R633 PolarHBondContact OG-NH2 3.14Å; S629-R633 VanDerWaalsContact OG-NH2 3.13Å; C630-R633 PolarHBondContact O-N 3.15Å; C630-R633 VanDerWaalsContact O-N 3.16Å; L631-R633 VanDerWaalsContact C-N 3.28Å; L631-R633 PolarHBondContact O-N 3.24Å; R633-L636 PolarHBondContact O-N 2.89Å; R633-S637 WeakPolarHBondContact O-CB 3.42Å; R633-S637 PolarHBondContact O-N 3.2Å; R633-S637 VanDerWaalsContact O-N 3.16Å; R633-S637 PolarHBondContact O-OG 2.98Å; R633-L1251 HydrophobicContact CG-CD2 3.6Å; R633-L1251 PolarHBondContact NH2-O 2.91Å |
| 634 | I | 81.6 | Confident | 78.5 | Confident | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.2 | -53.7 | 175.9 | -68.7 | 163.2 | 0 | 0 | 0 | 110.2 | I449 I453 L605 V608 L609 L612 C630 L631 S632 L636 S637 T638 | I449-I634 HydrophobicContact CD1-CD1 4.12Å; I449-I634 HydrophobicContact CD1-CG1 4.14Å; I449-I634 HydrophobicContact CG1-CD1 4.05Å; I449-I634 HydrophobicContact CG1-CG1 3.74Å; I453-I634 HydrophobicContact CD1-CB 4.36Å; I453-I634 HydrophobicContact CD1-CG1 3.85Å; L605-I634 HydrophobicContact CD1-CG2 3.74Å; V608-I634 HydrophobicContact CG1-CD1 3.9Å; L609-I634 HydrophobicContact CD2-CD1 4.41Å; L609-I634 HydrophobicContact CD2-CG2 4.32Å; L612-I634 HydrophobicContact CD1-CD1 3.41Å; L612-I634 VanDerWaalsContact CD1-CD1 3.42Å; C630-I634 VanDerWaalsContact O-CG1 3.31Å; C630-I634 WeakPolarHBondContact O-CG1 3.14Å; C630-I634 PolarHBondContact O-N 3.17Å; L631-I634 HydrophobicContact CD2-CD1 4.42Å; L631-I634 PolarHBondContact O-N 3.02Å; S632-I634 VanDerWaalsContact C-N 3.33Å; S632-I634 PolarHBondContact O-N 3.39Å; I634-L636 VanDerWaalsContact C-N 3.33Å; I634-L636 PolarHBondContact O-N 3.21Å; I634-S637 CarbonylContact O-C 3.51Å; I634-S637 VanDerWaalsContact O-C 3.31Å; I634-S637 PolarHBondContact O-N 3.44Å; I634-S637 PolarHBondContact O-OG 3.35Å; I634-S637 VanDerWaalsContact O-OG 3.06Å; I634-T638 HydrophobicContact CG2-CG2 4.37Å; I634-T638 WeakPolarHBondContact CG2-OG1 3.42Å; I634-T638 WeakPolarHBondContact O-CB 3.32Å; I634-T638 PolarHBondContact O-N 3.13Å; I634-T638 PolarHBondContact O-OG1 3.35Å |
| 635 | F | 83 | Confident | 77.1 | Confident | 0.666667 Ų | 0.666667 | 19.1 Ų | 19.1 | 0% | 0.003 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.2 | -31.4 | -177.4 | -60.2 | -27.4 | 0 | 0 | 0 | 113 | L609 L631 S632 S637 I640 V675 I678 L736 A739 L740 S743 | L609-F635 HydrophobicContact CD2-CE1 4.02Å; L609-F635 HydrophobicContact CD2-CZ 4.3Å; L631-F635 HydrophobicContact CB-CD2 4.46Å; L631-F635 HydrophobicContact CB-CE2 4.15Å; L631-F635 HydrophobicContact CB-CZ 4.36Å; L631-F635 HydrophobicContact CD2-CE1 4.34Å; L631-F635 HydrophobicContact CD2-CE2 4.42Å; L631-F635 HydrophobicContact CD2-CZ 4.1Å; L631-F635 WeakPolarHBondContact O-CB 3.37Å; L631-F635 VanDerWaalsContact O-CD2 3.28Å; L631-F635 WeakPolarHBondContact O-CD2 3.4Å; L631-F635 WeakPolarHBondContact O-CG 3.26Å; L631-F635 PolarHBondContact O-N 3.13Å; S632-F635 PolarHBondContact O-N 3.05Å; F635-S637 PolarHBondContact O-N 2.95Å; F635-I640 HydrophobicContact CD1-CD1 3.63Å; F635-I640 HydrophobicContact CE1-CD1 3.7Å; F635-I640 HydrophobicContact CG-CD1 4.47Å; F635-V675 HydrophobicContact CE1-CG2 4.27Å; F635-V675 HydrophobicContact CZ-CG2 4.48Å; F635-I678 HydrophobicContact CZ-CD1 4.35Å; F635-I678 HydrophobicContact CZ-CG2 4.49Å; F635-L736 HydrophobicContact CD2-CD1 3.68Å; F635-L736 HydrophobicContact CD2-CG 4.37Å; F635-L736 HydrophobicContact CE2-CD1 3.83Å; F635-L736 HydrophobicContact CE2-CG 4.26Å; F635-A739 HydrophobicContact CB-CB 3.87Å; F635-A739 WeakPolarHBondContact CB-O 3.28Å; F635-L740 HydrophobicContact CD2-CB 3.84Å; F635-L740 HydrophobicContact CD2-CD1 4.3Å; F635-L740 HydrophobicContact CD2-CG 4.44Å; F635-L740 HydrophobicContact CE1-CD1 4.42Å; F635-L740 HydrophobicContact CE2-CB 4.09Å; F635-L740 HydrophobicContact CE2-CD1 3.95Å; F635-L740 HydrophobicContact CE2-CG 4.31Å; F635-L740 HydrophobicContact CG-CB 4.37Å; F635-L740 HydrophobicContact CZ-CD1 4.1Å; F635-L740 HydrophobicContact CZ-CG 4.48Å; F635-S743 WeakPolarHBondContact O-CB 3.4Å |
| 636 | L | 74.8 | Confident | 76 | Confident | 30.3333 Ų | 30.3333 | 20.8 Ų | 20.8 | 16% | 0.159 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.2 | 171.3 | -71.8 | 175 | 0 | 0 | 0 | 114.2 | S632 R633 I634 A739 L742 L935 P961 A1247 L1251 I1306 | S632-L636 VanDerWaalsContact O-CB 3.3Å; S632-L636 WeakPolarHBondContact O-CB 3.24Å; S632-L636 VanDerWaalsContact O-CG 3.29Å; S632-L636 WeakPolarHBondContact O-CG 3.36Å; S632-L636 PolarHBondContact O-N 3.19Å; R633-L636 PolarHBondContact O-N 2.89Å; I634-L636 VanDerWaalsContact C-N 3.33Å; I634-L636 PolarHBondContact O-N 3.21Å; L636-A739 HydrophobicContact CD2-CB 4.1Å; L636-A739 HydrophobicContact CG-CB 3.91Å; L636-L742 HydrophobicContact CD2-CD1 3.78Å; L636-L935 WeakPolarHBondContact O-CD2 3.17Å; L636-P961 WeakPolarHBondContact O-CB 3.26Å; L636-A1247 HydrophobicContact CD1-CB 4.15Å; L636-A1247 HydrophobicContact CD2-CB 3.9Å; L636-A1247 HydrophobicContact CG-CB 4.41Å; L636-L1251 HydrophobicContact CD1-CD1 4.04Å; L636-L1251 HydrophobicContact CD1-CD2 3.96Å; L636-L1251 HydrophobicContact CD1-CG 4.36Å; L636-I1306 HydrophobicContact CD2-CD1 4.01Å |
| 637 | S | 71 | Confident | 74.4 | Confident | 10 Ų | 10 | 28 Ų | 28 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 5.7 | -177 | 65.1 | 0 | 0 | 0 | 0 | 115.6 | I453 R633 I634 F635 W959 P961 | I453-S637 WeakPolarHBondContact CG2-O 3.34Å; R633-S637 WeakPolarHBondContact O-CB 3.42Å; R633-S637 PolarHBondContact O-N 3.2Å; R633-S637 VanDerWaalsContact O-N 3.16Å; R633-S637 PolarHBondContact O-OG 2.98Å; I634-S637 CarbonylContact O-C 3.51Å; I634-S637 VanDerWaalsContact O-C 3.31Å; I634-S637 PolarHBondContact O-N 3.44Å; I634-S637 PolarHBondContact O-OG 3.35Å; I634-S637 VanDerWaalsContact O-OG 3.06Å; F635-S637 PolarHBondContact O-N 2.95Å; S637-W959 WeakPolarHBondContact O-CH2 3.41Å; S637-W959 WeakPolarHBondContact O-CZ3 3.37Å; S637-P961 WeakPolarHBondContact O-CG 3.49Å |
| 638 | T | 74.6 | Confident | 72.6 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | trans | -135.4 | 130.9 | 176.4 | 51.7 | 0 | 0 | 0 | 0 | 111 | I453 L605 I634 S743 L935 | I453-T638 HydrophobicContact CB-CG2 4.41Å; I453-T638 HydrophobicContact CD1-CG2 4.29Å; I453-T638 HydrophobicContact CG1-CG2 4.28Å; I453-T638 HydrophobicContact CG2-CG2 3.45Å; L605-T638 HydrophobicContact CD1-CG2 4.44Å; L605-T638 HydrophobicContact CD2-CG2 4.21Å; I634-T638 HydrophobicContact CG2-CG2 4.37Å; I634-T638 WeakPolarHBondContact CG2-OG1 3.42Å; I634-T638 WeakPolarHBondContact O-CB 3.32Å; I634-T638 PolarHBondContact O-N 3.13Å; I634-T638 PolarHBondContact O-OG1 3.35Å; T638-S743 WeakPolarHBondContact O-CA 3.39Å; T638-S743 VanDerWaalsContact O-CB 3.23Å; T638-S743 WeakPolarHBondContact O-CB 3.26Å; T638-L935 WeakPolarHBondContact O-CD1 3.49Å | ||
| 639 | P | 75.7 | Confident | 70.7 | Confident | 8.33333 Ų | 8.33333 | 35.9 Ų | 35.9 | 5% | 0.054 | 20% | 0.2 | C | C | . | . | trans | -73.6 | 135.5 | 164.2 | 31.9 | -32.9 | 0 | 0 | 0 | 109.2 | W641 S743 L935 Y953 W959 | P639-W641 HydrophobicContact CG-CD2 4.45Å; P639-W641 HydrophobicContact CG-CZ2 3.88Å; P639-W641 PolarHBondContact O-N 2.92Å; P639-S743 WeakPolarHBondContact CA-O 3.47Å; P639-L935 HydrophobicContact CB-CB 4.23Å; P639-Y953 HydrophobicContact CG-CD1 4.24Å; P639-Y953 HydrophobicContact CG-CD2 4.07Å; P639-Y953 HydrophobicContact CG-CE2 4.36Å; P639-Y953 HydrophobicContact CG-CG 4.12Å; P639-W959 HydrophobicContact CG-CH2 4.03Å; P639-W959 HydrophobicContact CG-CZ2 4.18Å | ||
| 640 | I | 78.4 | Confident | 69 | Low | 5.33333 Ų | 5.33333 | 42.7 Ų | 42.7 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | trans | -94.2 | 103.3 | 176.4 | -62.3 | 171.8 | 0 | 0 | 0 | 108.4 | F635 I671 V675 L740 S743 T744 S746 N747 L750 | F635-I640 HydrophobicContact CD1-CD1 3.63Å; F635-I640 HydrophobicContact CE1-CD1 3.7Å; F635-I640 HydrophobicContact CG-CD1 4.47Å; I640-I671 HydrophobicContact CG1-CG2 4.46Å; I640-I671 HydrophobicContact CG2-CG2 4.09Å; I640-V675 HydrophobicContact CD1-CB 4.37Å; I640-V675 HydrophobicContact CD1-CG1 3.87Å; I640-V675 HydrophobicContact CD1-CG2 3.79Å; I640-V675 HydrophobicContact CG1-CG2 4.41Å; I640-V675 HydrophobicContact CG2-CB 4.36Å; I640-V675 HydrophobicContact CG2-CG1 4.31Å; I640-V675 HydrophobicContact CG2-CG2 3.97Å; I640-L740 HydrophobicContact CD1-CD1 3.7Å; I640-S743 VanDerWaalsContact CD1-OG 3.29Å; I640-S743 WeakPolarHBondContact CD1-OG 3.48Å; I640-S743 PolarHBondContact N-O 3.11Å; I640-T744 HydrophobicContact CB-CG2 4.28Å; I640-T744 HydrophobicContact CD1-CG2 4.04Å; I640-S746 PolarHBondContact O-OG 3.11Å; I640-N747 WeakPolarHBondContact O-CB 3.35Å; I640-N747 PolarHBondContact O-ND2 3.44Å; I640-L750 HydrophobicContact CB-CD2 4.41Å; I640-L750 HydrophobicContact CG2-CD2 3.58Å | ||
| 641 | W | 73.2 | Confident | 67.1 | Low | 55 Ų | 55 | 47.3 Ų | 47.3 | 21% | 0.208 | 27% | 0.268 | C | S | . | . | trans | -129 | 138.4 | -179.8 | -103.5 | -11.7 | 0 | 0 | 0 | 110.2 | P639 F643 S746 D936 K949 A950 Y953 | P639-W641 HydrophobicContact CG-CD2 4.45Å; P639-W641 HydrophobicContact CG-CZ2 3.88Å; P639-W641 PolarHBondContact O-N 2.92Å; W641-F643 HydrophobicContact CB-CD1 4.35Å; W641-F643 HydrophobicContact CB-CD2 4.17Å; W641-F643 HydrophobicContact CB-CE1 4.01Å; W641-F643 HydrophobicContact CB-CE2 3.94Å; W641-F643 HydrophobicContact CB-CZ 3.93Å; W641-F643 HydrophobicContact CD2-CD1 4.43Å; W641-F643 HydrophobicContact CD2-CE1 4.38Å; W641-F643 HydrophobicContact CD2-CZ 4.26Å; W641-F643 AromaticContact CE3-CE1 3.73Å; W641-F643 HydrophobicContact CE3-CE1 3.86Å; W641-F643 AromaticContact CE3-CZ 3.64Å; W641-F643 HydrophobicContact CE3-CZ 3.93Å; W641-F643 HydrophobicContact CG-CD1 4.36Å; W641-F643 HydrophobicContact CG-CE1 4.27Å; W641-F643 HydrophobicContact CG-CZ 4.32Å; W641-F643 PolarHBondContact O-N 3.49Å; W641-S746 VanDerWaalsContact CD1-OG 3.23Å; W641-S746 WeakPolarHBondContact CZ2-O 3.42Å; W641-S746 PolarHBondContact NE1-O 3.48Å; W641-D936 WeakPolarHBondContact CZ2-OD1 3.47Å; W641-D936 PolarHBondContact NE1-OD1 3.47Å; W641-K949 HydrophobicContact CH2-CB 4.17Å; W641-K949 WeakPolarHBondContact CH2-O 3.39Å; W641-A950 HydrophobicContact CE3-CB 4.35Å; W641-A950 HydrophobicContact CZ3-CB 4.13Å; W641-Y953 HydrophobicContact CE3-CD1 4.09Å; W641-Y953 HydrophobicContact CE3-CG 4.1Å; W641-Y953 VanDerWaalsContact CH2-CB 3.45Å; W641-Y953 HydrophobicContact CH2-CD2 4.46Å; W641-Y953 HydrophobicContact CH2-CG 4.07Å; W641-Y953 HydrophobicContact CZ3-CD1 4.04Å; W641-Y953 HydrophobicContact CZ3-CD2 4.4Å; W641-Y953 AromaticContact CZ3-CG 3.62Å; W641-Y953 HydrophobicContact CZ3-CG 3.62Å | ||
| 642 | D | 70 | Confident | 65 | Low | 45.3333 Ų | 45.3333 | 53.3 Ų | 53.3 | 24% | 0.242 | 30% | 0.3 | C | S | . | . | trans | -81.4 | 115.3 | 162.8 | -171.4 | -31.3 | 0 | 0 | 0 | 108.3 | S644 N669 G670 E672 | D642-S644 VanDerWaalsContact C-N 3.28Å; D642-S644 VanDerWaalsContact CG-OG 3.25Å; D642-S644 PolarHBondContact O-N 3.22Å; D642-S644 WeakPolarHBondContact OD1-CB 3.36Å; D642-S644 PolarHBondContact OD1-N 3.3Å; D642-S644 PolarHBondContact OD1-OG 3.31Å; D642-S644 PolarHBondContact OD2-OG 3.22Å; D642-N669 WeakPolarHBondContact OD2-CA 3.42Å; D642-G670 PolarHBondContact OD2-N 3.22Å; D642-E672 HydrophobicContact CB-CG 4.04Å; D642-E672 PolarHBondContact N-OE1 2.83Å | ||
| 643 | F | 69 | Low | 63.4 | Low | 12.3333 Ų | 12.3333 | 60.5 Ų | 60.5 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | trans | -90.4 | 1.2 | -177.2 | -61.4 | -76 | 0 | 0 | 0 | 113 | W641 A645 M646 I665 S668 A950 Y953 I954 | W641-F643 HydrophobicContact CB-CD1 4.35Å; W641-F643 HydrophobicContact CB-CD2 4.17Å; W641-F643 HydrophobicContact CB-CE1 4.01Å; W641-F643 HydrophobicContact CB-CE2 3.94Å; W641-F643 HydrophobicContact CB-CZ 3.93Å; W641-F643 HydrophobicContact CD2-CD1 4.43Å; W641-F643 HydrophobicContact CD2-CE1 4.38Å; W641-F643 HydrophobicContact CD2-CZ 4.26Å; W641-F643 AromaticContact CE3-CE1 3.73Å; W641-F643 HydrophobicContact CE3-CE1 3.86Å; W641-F643 AromaticContact CE3-CZ 3.64Å; W641-F643 HydrophobicContact CE3-CZ 3.93Å; W641-F643 HydrophobicContact CG-CD1 4.36Å; W641-F643 HydrophobicContact CG-CE1 4.27Å; W641-F643 HydrophobicContact CG-CZ 4.32Å; W641-F643 PolarHBondContact O-N 3.49Å; F643-A645 PolarHBondContact O-N 3.16Å; F643-A645 VanDerWaalsContact O-N 3.13Å; F643-M646 HydrophobicContact CD1-SD 4.14Å; F643-M646 VanDerWaalsContact O-CB 3.26Å; F643-M646 WeakPolarHBondContact O-CB 3.35Å; F643-M646 PolarHBondContact O-N 3.3Å; F643-I665 HydrophobicContact CB-CB 4.47Å; F643-I665 HydrophobicContact CB-CG1 4.2Å; F643-I665 HydrophobicContact CB-CG2 4.34Å; F643-I665 HydrophobicContact CD1-CG1 4.47Å; F643-S668 WeakPolarHBondContact CD2-OG 3.46Å; F643-S668 PolarHBondContact N-OG 3.08Å; F643-S668 VanDerWaalsContact N-OG 3.12Å; F643-A950 HydrophobicContact CD1-CB 4.15Å; F643-A950 HydrophobicContact CE1-CB 3.89Å; F643-Y953 HydrophobicContact CE2-CD1 4.06Å; F643-Y953 HydrophobicContact CE2-CE1 4.06Å; F643-Y953 AromaticContact CZ-CD1 3.77Å; F643-Y953 HydrophobicContact CZ-CD1 3.77Å; F643-Y953 HydrophobicContact CZ-CE1 4.1Å; F643-I954 HydrophobicContact CB-CD1 4.35Å; F643-I954 HydrophobicContact CD1-CD1 3.68Å; F643-I954 HydrophobicContact CD1-CG1 4.31Å; F643-I954 HydrophobicContact CD2-CD1 4.4Å; F643-I954 HydrophobicContact CE1-CD1 3.87Å; F643-I954 VanDerWaalsContact CE1-CD1 3.41Å; F643-I954 HydrophobicContact CE1-CG1 3.85Å; F643-I954 HydrophobicContact CG-CD1 3.98Å; F643-I954 HydrophobicContact CG-CG1 4.48Å; F643-I954 HydrophobicContact CZ-CD1 4.5Å; F643-I954 HydrophobicContact CZ-CG1 4.35Å | ||
| 644 | S | 64.9 | Low | 62.1 | Low | 77.3333 Ų | 77.3333 | 65.7 Ų | 65.7 | 54% | 0.541 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28.4 | -177.4 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | D642 M646 N669 | D642-S644 VanDerWaalsContact C-N 3.28Å; D642-S644 VanDerWaalsContact CG-OG 3.25Å; D642-S644 PolarHBondContact O-N 3.22Å; D642-S644 WeakPolarHBondContact OD1-CB 3.36Å; D642-S644 PolarHBondContact OD1-N 3.3Å; D642-S644 PolarHBondContact OD1-OG 3.31Å; D642-S644 PolarHBondContact OD2-OG 3.22Å; S644-M646 VanDerWaalsContact C-N 3.26Å; S644-M646 PolarHBondContact O-N 3.17Å; S644-N669 WeakPolarHBondContact CB-OD1 3.28Å |
| 645 | A | 57 | Low | 60.9 | Low | 92.6667 Ų | 92.6667 | 69.9 Ų | 69.9 | 77% | 0.766 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F643 E647 | F643-A645 PolarHBondContact O-N 3.16Å; F643-A645 VanDerWaalsContact O-N 3.13Å; A645-E647 PolarHBondContact O-N 3.05Å |
| 646 | M | 58.6 | Low | 59.7 | Low | 46 Ų | 46 | 75.3 Ų | 75.3 | 23% | 0.227 | 43% | 0.43 | C | S | . | . | trans | -88.6 | 105.9 | -173.7 | -162.4 | 169.2 | -176.3 | 0 | 0 | 111.9 | F643 S644 F648 L947 A950 D951 I954 | F643-M646 HydrophobicContact CD1-SD 4.14Å; F643-M646 VanDerWaalsContact O-CB 3.26Å; F643-M646 WeakPolarHBondContact O-CB 3.35Å; F643-M646 PolarHBondContact O-N 3.3Å; S644-M646 VanDerWaalsContact C-N 3.26Å; S644-M646 PolarHBondContact O-N 3.17Å; M646-F648 VanDerWaalsContact C-N 3.32Å; M646-F648 PolarHBondContact O-N 3.17Å; M646-F648 VanDerWaalsContact O-N 3.1Å; M646-L947 WeakPolarHBondContact CE-O 3.38Å; M646-A950 HydrophobicContact CE-CB 3.71Å; M646-A950 VanDerWaalsContact CE-CB 3.5Å; M646-A950 HydrophobicContact SD-CB 3.69Å; M646-A950 VanDerWaalsContact SD-CB 3.54Å; M646-A950 WeakPolarHBondContact SD-CB 3.35Å; M646-D951 WeakPolarHBondContact CE-OD1 3.43Å; M646-I954 HydrophobicContact CE-CD1 3.83Å; M646-I954 HydrophobicContact SD-CD1 3.68Å; M646-I954 WeakPolarHBondContact SD-CD1 3.19Å | ||
| 647 | E | 50.8 | Low | 59.1 | Low | 177.333 Ų | 177.333 | 76 Ų | 76 | 83% | 0.829 | 43% | 0.434 | S | S | * | . | trans | -72.9 | 102.7 | 168.1 | -68.8 | -177.2 | 178.2 | 0 | 0 | 110 | A645 T649 | A645-E647 PolarHBondContact O-N 3.05Å; E647-T649 PolarHBondContact O-N 3.21Å; E647-T649 VanDerWaalsContact O-N 3.08Å | ||
| 648 | F | 50.1 | Low | 58.9 | Low | 72.3333 Ų | 72.3333 | 78.5 Ų | 78.5 | 32% | 0.317 | 44% | 0.444 | S | S | . | . | trans | -63.8 | 115.8 | 172 | -122.7 | -82.4 | 0 | 0 | 0 | 109.5 | M646 N650 A661 E662 I665 I954 | M646-F648 VanDerWaalsContact C-N 3.32Å; M646-F648 PolarHBondContact O-N 3.17Å; M646-F648 VanDerWaalsContact O-N 3.1Å; F648-N650 PolarHBondContact O-N 3.18Å; F648-A661 HydrophobicContact CE2-CB 4.43Å; F648-A661 HydrophobicContact CZ-CB 4.3Å; F648-E662 HydrophobicContact CE2-CG 4.44Å; F648-I665 HydrophobicContact CD2-CD1 4.12Å; F648-I665 HydrophobicContact CE2-CD1 3.77Å; F648-I665 HydrophobicContact CZ-CD1 3.45Å; F648-I665 VanDerWaalsContact CZ-CD1 3.45Å; F648-I954 HydrophobicContact CE2-CG2 4.35Å | ||
| 649 | T | 44.9 | Very low | 58.7 | Low | 94.6667 Ų | 94.6667 | 84.9 Ų | 84.9 | 58% | 0.581 | 48% | 0.478 | S | S | * | . | trans | -72.4 | 110.1 | 177.1 | 54 | 0 | 0 | 0 | 0 | 110.3 | E647 S651 L947 | E647-T649 PolarHBondContact O-N 3.21Å; E647-T649 VanDerWaalsContact O-N 3.08Å; T649-S651 PolarHBondContact O-N 3.14Å; T649-S651 PolarHBondContact O-OG 3.29Å; T649-S651 PolarHBondContact OG1-OG 3.43Å; T649-L947 HydrophobicContact CG2-CD1 4.22Å; T649-L947 HydrophobicContact CG2-CD2 4.14Å | ||
| 650 | N | 42.1 | Very low | 58.4 | Low | 146.667 Ų | 146.667 | 86.6 Ų | 86.6 | 78% | 0.784 | 49% | 0.488 | S | S | * | . | trans | -28.4 | 79.6 | 173.6 | -83.8 | -34.3 | 0 | 0 | 0 | 114.9 | F648 N652 | F648-N650 PolarHBondContact O-N 3.18Å; N650-N652 PolarHBondContact O-N 2.97Å | ||
| 651 | S | 43.5 | Very low | 58.1 | Low | 96.6667 Ų | 96.6667 | 86.6 Ų | 86.6 | 68% | 0.676 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -99.2 | 19.4 | 166.5 | 52.5 | 0 | 0 | 0 | 0 | 114.5 | T649 | T649-S651 PolarHBondContact O-N 3.14Å; T649-S651 PolarHBondContact O-OG 3.29Å; T649-S651 PolarHBondContact OG1-OG 3.43Å |
| 652 | N | 43.9 | Very low | 58.1 | Low | 126.333 Ų | 126.333 | 88.3 Ų | 88.3 | 68% | 0.676 | 50% | 0.499 | S | S | * | . | trans | -131.7 | 84.1 | -178.6 | -69.2 | -29.5 | 0 | 0 | 0 | 115.4 | N650 T654 | N650-N652 PolarHBondContact O-N 2.97Å; N652-T654 HydrophobicContact CB-CG2 4.35Å; N652-T654 PolarHBondContact O-N 2.93Å | ||
| 653 | N | 47.2 | Very low | 58.4 | Low | 151 Ų | 151 | 90.8 Ų | 90.8 | 81% | 0.807 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 54.3 | 171.4 | -76 | -9.7 | 0 | 0 | 0 | 112.6 | N655 | N653-N655 PolarHBondContact O-N 2.98Š|
| 654 | T | 50.4 | Low | 58.6 | Low | 125.667 Ų | 125.667 | 90.3 Ų | 90.3 | 77% | 0.771 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 16 | -179.6 | 52.2 | 0 | 0 | 0 | 0 | 113 | N652 P656 | N652-T654 HydrophobicContact CB-CG2 4.35Å; N652-T654 PolarHBondContact O-N 2.93Å; T654-P656 WeakPolarHBondContact O-CD 3.39Å |
| 655 | N | 55.2 | Low | 59.1 | Low | 89.3333 Ų | 89.3333 | 88 Ų | 88 | 48% | 0.478 | 49% | 0.485 | S | S | . | . | trans | -90.3 | 116.9 | 177.9 | -130.7 | -6.1 | 0 | 0 | 0 | 109.3 | N653 N657 H658 | N653-N655 PolarHBondContact O-N 2.98Å; N655-N657 PolarHBondContact O-N 3.18Å; N655-N657 VanDerWaalsContact O-N 3.1Å; N655-H658 VanDerWaalsContact O-CB 3.27Å; N655-H658 WeakPolarHBondContact O-CB 3.45Å; N655-H658 PolarHBondContact O-N 3.07Å | ||
| 656 | P | 58 | Low | 60 | Low | 114 Ų | 114 | 86.8 Ų | 86.8 | 74% | 0.74 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -11.8 | -176.6 | 26.1 | -35 | 0 | 0 | 0 | 113.9 | T654 H658 | T654-P656 WeakPolarHBondContact O-CD 3.39Å; P656-H658 VanDerWaalsContact C-N 3.28Å; P656-H658 PolarHBondContact O-N 3.46Å |
| 657 | N | 63 | Low | 60.8 | Low | 46.6667 Ų | 46.6667 | 87.2 Ų | 87.2 | 25% | 0.25 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.5 | -179.9 | -62.1 | -10.8 | 0 | 0 | 0 | 113.5 | L599 N655 L659 T660 A661 S955 | L599-N657 HydrophobicContact CD2-CB 3.96Å; L599-N657 WeakPolarHBondContact CD2-ND2 3.15Å; N655-N657 PolarHBondContact O-N 3.18Å; N655-N657 VanDerWaalsContact O-N 3.1Å; N657-L659 PolarHBondContact O-N 3.22Å; N657-T660 WeakPolarHBondContact CA-OG1 3.32Å; N657-T660 PolarHBondContact O-N 3.14Å; N657-T660 PolarHBondContact O-OG1 3.06Å; N657-T660 VanDerWaalsContact O-OG1 3.04Å; N657-A661 WeakPolarHBondContact O-CB 3.41Å; N657-A661 PolarHBondContact O-N 2.97Å; N657-S955 PolarHBondContact ND2-O 3.34Å |
| 658 | H | 65.9 | Low | 62 | Low | 60.6667 Ų | 60.6667 | 78.9 Ų | 78.9 | 28% | 0.281 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | -175 | -164.3 | -80.8 | 0 | 0 | 0 | 112.7 | N655 P656 T660 A661 E662 | N655-H658 VanDerWaalsContact O-CB 3.27Å; N655-H658 WeakPolarHBondContact O-CB 3.45Å; N655-H658 PolarHBondContact O-N 3.07Å; P656-H658 VanDerWaalsContact C-N 3.28Å; P656-H658 PolarHBondContact O-N 3.46Å; H658-T660 VanDerWaalsContact C-N 3.28Å; H658-T660 PolarHBondContact O-N 3.27Å; H658-A661 WeakPolarHBondContact O-CA 3.42Å; H658-A661 WeakPolarHBondContact O-CB 3.29Å; H658-A661 PolarHBondContact O-N 3.1Å; H658-E662 IonicContact CE1-OE1 2.74Å; H658-E662 PolarHBondContact CE1-OE1 3.13Å; H658-E662 VanDerWaalsContact CE1-OE1 3.26Å; H658-E662 IonicContact CE1-OE2 3.53Å; H658-E662 PolarHBondContact CE1-OE2 2.84Å; H658-E662 IonicContact CG-OE2 3Å; H658-E662 IonicContact ND1-OE1 3.24Å; H658-E662 PolarHBondContact ND1-OE1 2.92Å; H658-E662 IonicContact ND1-OE2 3.16Å; H658-E662 PolarHBondContact ND1-OE2 3.33Å; H658-E662 WeakPolarHBondContact O-CG 3.16Å; H658-E662 PolarHBondContact O-N 3.15Å |
| 659 | L | 70.3 | Confident | 63.2 | Low | 139.667 Ų | 139.667 | 79.7 Ų | 79.7 | 73% | 0.731 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.8 | -35.3 | 178.6 | -67.3 | 170.4 | 0 | 0 | 0 | 112.5 | N657 R663 | N657-L659 PolarHBondContact O-N 3.22Å; L659-R663 WeakPolarHBondContact O-CB 3.26Å; L659-R663 PolarHBondContact O-N 2.84Å; L659-R663 VanDerWaalsContact O-N 3.1Å |
| 660 | T | 70.6 | Confident | 64.9 | Low | 44.3333 Ų | 44.3333 | 76.3 Ų | 76.3 | 27% | 0.272 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.4 | -33.5 | 175.1 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | N657 H658 R663 I664 | N657-T660 WeakPolarHBondContact CA-OG1 3.32Å; N657-T660 PolarHBondContact O-N 3.14Å; N657-T660 PolarHBondContact O-OG1 3.06Å; N657-T660 VanDerWaalsContact O-OG1 3.04Å; H658-T660 VanDerWaalsContact C-N 3.28Å; H658-T660 PolarHBondContact O-N 3.27Å; T660-R663 PolarHBondContact O-N 3.35Å; T660-I664 WeakPolarHBondContact O-CD1 3.4Å; T660-I664 VanDerWaalsContact O-CG1 3.26Å; T660-I664 WeakPolarHBondContact O-CG1 3.27Å; T660-I664 PolarHBondContact O-N 3.27Å |
| 661 | A | 71.6 | Confident | 66.9 | Low | 3.66667 Ų | 3.66667 | 69.8 Ų | 69.8 | 3% | 0.03 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F648 N657 H658 R663 I664 I665 I954 | F648-A661 HydrophobicContact CE2-CB 4.43Å; F648-A661 HydrophobicContact CZ-CB 4.3Å; N657-A661 WeakPolarHBondContact O-CB 3.41Å; N657-A661 PolarHBondContact O-N 2.97Å; H658-A661 WeakPolarHBondContact O-CA 3.42Å; H658-A661 WeakPolarHBondContact O-CB 3.29Å; H658-A661 PolarHBondContact O-N 3.1Å; A661-R663 VanDerWaalsContact C-N 3.32Å; A661-R663 PolarHBondContact O-N 3.14Å; A661-I664 PolarHBondContact O-N 3.33Å; A661-I665 VanDerWaalsContact O-CG1 3.31Å; A661-I665 WeakPolarHBondContact O-CG1 3.37Å; A661-I665 PolarHBondContact O-N 3.26Å; A661-I954 HydrophobicContact CB-CG2 3.4Å; A661-I954 VanDerWaalsContact CB-CG2 3.45Å |
| 662 | E | 73.8 | Confident | 68.9 | Low | 91.6667 Ų | 91.6667 | 66.5 Ų | 66.5 | 43% | 0.428 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 173.7 | -73 | 173.7 | 137.2 | 0 | 0 | 111.6 | F648 H658 I665 S666 | F648-E662 HydrophobicContact CE2-CG 4.44Å; H658-E662 IonicContact CE1-OE1 2.74Å; H658-E662 PolarHBondContact CE1-OE1 3.13Å; H658-E662 VanDerWaalsContact CE1-OE1 3.26Å; H658-E662 IonicContact CE1-OE2 3.53Å; H658-E662 PolarHBondContact CE1-OE2 2.84Å; H658-E662 IonicContact CG-OE2 3Å; H658-E662 IonicContact ND1-OE1 3.24Å; H658-E662 PolarHBondContact ND1-OE1 2.92Å; H658-E662 IonicContact ND1-OE2 3.16Å; H658-E662 PolarHBondContact ND1-OE2 3.33Å; H658-E662 WeakPolarHBondContact O-CG 3.16Å; H658-E662 PolarHBondContact O-N 3.15Å; E662-I665 PolarHBondContact O-N 3Å; E662-S666 WeakPolarHBondContact O-CB 3.36Å; E662-S666 PolarHBondContact O-N 3.05Å; E662-S666 PolarHBondContact O-OG 3.03Å |
| 663 | R | 75.3 | Confident | 71 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 37% | 0.366 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 175.1 | -170.2 | 177.7 | 175.4 | -148.1 | -21.3 | 111.8 | A603 E604 L659 T660 A661 I665 S666 E667 | A603-R663 HydrophobicContact CB-CG 4.1Å; A603-R663 PolarHBondContact O-NH2 2.87Å; E604-R663 IonicContact OE1-CZ 3.35Å; E604-R663 IonicContact OE1-NH1 2.94Å; E604-R663 PolarHBondContact OE1-NH1 2.85Å; E604-R663 IonicContact OE1-NH2 3.17Å; E604-R663 PolarHBondContact OE1-NH2 2.81Å; L659-R663 WeakPolarHBondContact O-CB 3.26Å; L659-R663 PolarHBondContact O-N 2.84Å; L659-R663 VanDerWaalsContact O-N 3.1Å; T660-R663 PolarHBondContact O-N 3.35Å; A661-R663 VanDerWaalsContact C-N 3.32Å; A661-R663 PolarHBondContact O-N 3.14Å; R663-I665 VanDerWaalsContact C-N 3.31Å; R663-I665 PolarHBondContact O-N 3Å; R663-S666 WeakPolarHBondContact CA-OG 3.21Å; R663-S666 PolarHBondContact O-N 3.16Å; R663-S666 VanDerWaalsContact O-N 3.17Å; R663-S666 PolarHBondContact O-OG 3.02Å; R663-E667 HydrophobicContact CG-CG 4.34Å; R663-E667 WeakPolarHBondContact CG-OE1 3.11Å; R663-E667 IonicContact CZ-OE1 3.31Å; R663-E667 VanDerWaalsContact CZ-OE1 3.28Å; R663-E667 IonicContact CZ-OE2 3.54Å; R663-E667 IonicContact NE-OE1 3.26Å; R663-E667 PolarHBondContact NE-OE1 3.18Å; R663-E667 IonicContact NE-OE2 3.76Å; R663-E667 VanDerWaalsContact NH2-CD 3.29Å; R663-E667 IonicContact NH2-OE1 3.62Å; R663-E667 PolarHBondContact NH2-OE1 3.06Å; R663-E667 IonicContact NH2-OE2 3.1Å; R663-E667 PolarHBondContact NH2-OE2 3.16Å; R663-E667 WeakPolarHBondContact O-CB 3.33Å; R663-E667 WeakPolarHBondContact O-CG 3.48Å; R663-E667 PolarHBondContact O-N 2.92Å |
| 664 | I | 73.9 | Confident | 72.9 | Confident | 3.66667 Ų | 3.66667 | 57.7 Ų | 57.7 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.8 | -45 | 176.9 | -68.7 | 162.4 | 0 | 0 | 0 | 110.8 | L599 R602 A603 T660 A661 S668 Y953 | L599-I664 HydrophobicContact CD1-CD1 4.13Å; L599-I664 HydrophobicContact CG-CD1 4.27Å; R602-I664 HydrophobicContact CB-CD1 4.05Å; R602-I664 HydrophobicContact CB-CG1 4.14Å; R602-I664 HydrophobicContact CB-CG2 4.39Å; A603-I664 HydrophobicContact CB-CG1 4.03Å; T660-I664 WeakPolarHBondContact O-CD1 3.4Å; T660-I664 VanDerWaalsContact O-CG1 3.26Å; T660-I664 WeakPolarHBondContact O-CG1 3.27Å; T660-I664 PolarHBondContact O-N 3.27Å; A661-I664 PolarHBondContact O-N 3.33Å; I664-S668 VanDerWaalsContact O-CB 3.3Å; I664-S668 WeakPolarHBondContact O-CB 3.34Å; I664-S668 PolarHBondContact O-N 2.95Å; I664-S668 PolarHBondContact O-OG 3.47Å; I664-Y953 HydrophobicContact CG2-CE1 4.29Å |
| 665 | I | 74.9 | Confident | 74.8 | Confident | 28.6667 Ų | 28.6667 | 51.7 Ų | 51.7 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 177.9 | -67.1 | 162.3 | 0 | 0 | 0 | 110.2 | F643 F648 A661 E662 R663 E667 S668 N669 I954 | F643-I665 HydrophobicContact CB-CB 4.47Å; F643-I665 HydrophobicContact CB-CG1 4.2Å; F643-I665 HydrophobicContact CB-CG2 4.34Å; F643-I665 HydrophobicContact CD1-CG1 4.47Å; F648-I665 HydrophobicContact CD2-CD1 4.12Å; F648-I665 HydrophobicContact CE2-CD1 3.77Å; F648-I665 HydrophobicContact CZ-CD1 3.45Å; F648-I665 VanDerWaalsContact CZ-CD1 3.45Å; A661-I665 VanDerWaalsContact O-CG1 3.31Å; A661-I665 WeakPolarHBondContact O-CG1 3.37Å; A661-I665 PolarHBondContact O-N 3.26Å; E662-I665 PolarHBondContact O-N 3Å; R663-I665 VanDerWaalsContact C-N 3.31Å; R663-I665 PolarHBondContact O-N 3Å; I665-E667 VanDerWaalsContact C-N 3.34Å; I665-E667 PolarHBondContact O-N 3.38Å; I665-S668 WeakPolarHBondContact CA-OG 3.32Å; I665-S668 PolarHBondContact O-N 3.3Å; I665-S668 PolarHBondContact O-OG 2.96Å; I665-N669 PolarHBondContact O-N 2.82Å; I665-N669 PolarHBondContact O-OD1 2.89Å; I665-I954 HydrophobicContact CD1-CD1 4.31Å; I665-I954 HydrophobicContact CD1-CG2 4.39Å; I665-I954 HydrophobicContact CG1-CD1 4.22Å; I665-I954 HydrophobicContact CG1-CG2 4.42Å |
| 666 | S | 76.2 | Confident | 76.5 | Confident | 66.6667 Ų | 66.6667 | 49.6 Ų | 49.6 | 47% | 0.466 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | -178.6 | 70.3 | 0 | 0 | 0 | 0 | 114.1 | E662 R663 N669 | E662-S666 WeakPolarHBondContact O-CB 3.36Å; E662-S666 PolarHBondContact O-N 3.05Å; E662-S666 PolarHBondContact O-OG 3.03Å; R663-S666 WeakPolarHBondContact CA-OG 3.21Å; R663-S666 PolarHBondContact O-N 3.16Å; R663-S666 VanDerWaalsContact O-N 3.17Å; R663-S666 PolarHBondContact O-OG 3.02Å; S666-N669 VanDerWaalsContact O-CG 3.27Å; S666-N669 PolarHBondContact O-ND2 2.79Å |
| 667 | E | 75.7 | Confident | 78.1 | Confident | 53.6667 Ų | 53.6667 | 49.4 Ų | 49.4 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -84.8 | -19 | 179.2 | -70 | -177.7 | -162.7 | 0 | 0 | 112.7 | A603 N606 R663 I665 N669 G670 I671 | A603-E667 VanDerWaalsContact C-OE2 3.23Å; A603-E667 HydrophobicContact CB-CB 4.15Å; A603-E667 HydrophobicContact CB-CG 4.46Å; A603-E667 WeakPolarHBondContact CB-OE2 3.22Å; N606-E667 WeakPolarHBondContact CB-O 3.38Å; N606-E667 PolarHBondContact ND2-O 3.18Å; R663-E667 HydrophobicContact CG-CG 4.34Å; R663-E667 WeakPolarHBondContact CG-OE1 3.11Å; R663-E667 IonicContact CZ-OE1 3.31Å; R663-E667 VanDerWaalsContact CZ-OE1 3.28Å; R663-E667 IonicContact CZ-OE2 3.54Å; R663-E667 IonicContact NE-OE1 3.26Å; R663-E667 PolarHBondContact NE-OE1 3.18Å; R663-E667 IonicContact NE-OE2 3.76Å; R663-E667 VanDerWaalsContact NH2-CD 3.29Å; R663-E667 IonicContact NH2-OE1 3.62Å; R663-E667 PolarHBondContact NH2-OE1 3.06Å; R663-E667 IonicContact NH2-OE2 3.1Å; R663-E667 PolarHBondContact NH2-OE2 3.16Å; R663-E667 WeakPolarHBondContact O-CB 3.33Å; R663-E667 WeakPolarHBondContact O-CG 3.48Å; R663-E667 PolarHBondContact O-N 2.92Å; I665-E667 VanDerWaalsContact C-N 3.34Å; I665-E667 PolarHBondContact O-N 3.38Å; E667-N669 PolarHBondContact O-N 3.07Å; E667-G670 PolarHBondContact O-N 2.68Å; E667-I671 PolarHBondContact O-N 3.26Å |
| 668 | S | 75.8 | Confident | 79.4 | Confident | 4.33333 Ų | 4.33333 | 47.2 Ų | 47.2 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | trans | -67.8 | -20.8 | 175.2 | 73.7 | 0 | 0 | 0 | 0 | 114.1 | F643 I664 I665 G670 I671 | F643-S668 WeakPolarHBondContact CD2-OG 3.46Å; F643-S668 PolarHBondContact N-OG 3.08Å; F643-S668 VanDerWaalsContact N-OG 3.12Å; I664-S668 VanDerWaalsContact O-CB 3.3Å; I664-S668 WeakPolarHBondContact O-CB 3.34Å; I664-S668 PolarHBondContact O-N 2.95Å; I664-S668 PolarHBondContact O-OG 3.47Å; I665-S668 WeakPolarHBondContact CA-OG 3.32Å; I665-S668 PolarHBondContact O-N 3.3Å; I665-S668 PolarHBondContact O-OG 2.96Å; S668-G670 PolarHBondContact O-N 3.02Å; S668-G670 VanDerWaalsContact O-N 3.16Å; S668-I671 WeakPolarHBondContact O-CB 3.33Å; S668-I671 VanDerWaalsContact O-CG1 3.31Å; S668-I671 WeakPolarHBondContact O-CG1 3.35Å; S668-I671 PolarHBondContact O-N 3.15Å | ||
| 669 | N | 76.1 | Confident | 80.8 | Confident | 89.6667 Ų | 89.6667 | 44.3 Ų | 44.3 | 48% | 0.48 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 93.5 | 176.8 | -68.7 | -14.6 | 0 | 0 | 0 | 111.7 | N606 D642 S644 I665 S666 E667 | N606-N669 PolarHBondContact ND2-O 3.16Å; D642-N669 WeakPolarHBondContact OD2-CA 3.42Å; S644-N669 WeakPolarHBondContact CB-OD1 3.28Å; I665-N669 PolarHBondContact O-N 2.82Å; I665-N669 PolarHBondContact O-OD1 2.89Å; S666-N669 VanDerWaalsContact O-CG 3.27Å; S666-N669 PolarHBondContact O-ND2 2.79Å; E667-N669 PolarHBondContact O-N 3.07Å |
| 670 | G | 79.6 | Confident | 81.8 | Confident | 22.6667 Ų | 22.6667 | 41.4 Ų | 41.4 | 23% | 0.234 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 0.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | N606 D642 E667 S668 E672 D673 T674 | N606-G670 PolarHBondContact OD1-O 3.23Å; D642-G670 PolarHBondContact OD2-N 3.22Å; E667-G670 PolarHBondContact O-N 2.68Å; S668-G670 PolarHBondContact O-N 3.02Å; S668-G670 VanDerWaalsContact O-N 3.16Å; G670-E672 PolarHBondContact O-N 3.02Å; G670-D673 PolarHBondContact O-N 3.25Å; G670-D673 VanDerWaalsContact O-N 3.14Å; G670-T674 WeakPolarHBondContact O-CG2 3.37Å; G670-T674 PolarHBondContact O-N 2.91Å; G670-T674 PolarHBondContact O-OG1 3.48Å |
| 671 | I | 84.1 | Confident | 82.8 | Confident | 9.66667 Ų | 9.66667 | 43.2 Ų | 43.2 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -38.9 | 173.3 | -72.9 | 179 | 0 | 0 | 0 | 110.7 | L605 N606 L609 I640 E667 S668 D673 T674 V675 | L605-I671 HydrophobicContact CB-CD1 4.44Å; L605-I671 HydrophobicContact CD2-CD1 4.13Å; L605-I671 HydrophobicContact CG-CD1 4.28Å; N606-I671 HydrophobicContact CB-CD1 4.07Å; N606-I671 HydrophobicContact CB-CG1 3.66Å; L609-I671 HydrophobicContact CD1-CG2 4.03Å; I640-I671 HydrophobicContact CG1-CG2 4.46Å; I640-I671 HydrophobicContact CG2-CG2 4.09Å; E667-I671 PolarHBondContact O-N 3.26Å; S668-I671 WeakPolarHBondContact O-CB 3.33Å; S668-I671 VanDerWaalsContact O-CG1 3.31Å; S668-I671 WeakPolarHBondContact O-CG1 3.35Å; S668-I671 PolarHBondContact O-N 3.15Å; I671-D673 VanDerWaalsContact C-N 3.29Å; I671-D673 PolarHBondContact O-N 3.23Å; I671-T674 WeakPolarHBondContact CA-OG1 3.47Å; I671-T674 PolarHBondContact O-N 3.38Å; I671-T674 PolarHBondContact O-OG1 2.96Å; I671-T674 VanDerWaalsContact O-OG1 3.09Å; I671-V675 HydrophobicContact CG2-CG2 4.16Å; I671-V675 VanDerWaalsContact O-CB 3.32Å; I671-V675 WeakPolarHBondContact O-CB 3.25Å; I671-V675 WeakPolarHBondContact O-CG2 3.36Å; I671-V675 PolarHBondContact O-N 3.3Å |
| 672 | E | 85.3 | Confident | 83.7 | Confident | 28.3333 Ų | 28.3333 | 43 Ų | 43 | 13% | 0.132 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 178.2 | -65.1 | -165.8 | -170.6 | 0 | 0 | 112.7 | D642 G670 V675 F676 N747 L750 R753 | D642-E672 HydrophobicContact CB-CG 4.04Å; D642-E672 PolarHBondContact N-OE1 2.83Å; G670-E672 PolarHBondContact O-N 3.02Å; E672-V675 PolarHBondContact O-N 3.19Å; E672-F676 VanDerWaalsContact O-CB 3.29Å; E672-F676 WeakPolarHBondContact O-CB 3.43Å; E672-F676 PolarHBondContact O-N 3.03Å; E672-N747 PolarHBondContact OE1-ND2 2.9Å; E672-N747 PolarHBondContact OE2-ND2 3.14Å; E672-L750 HydrophobicContact CB-CD1 4.25Å; E672-L750 HydrophobicContact CB-CD2 4.34Å; E672-L750 HydrophobicContact CG-CD2 4.15Å; E672-R753 IonicContact OE2-NH1 3.4Å |
| 673 | D | 88 | Confident | 84.4 | Confident | 80 Ų | 80 | 38.8 Ų | 38.8 | 43% | 0.428 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -77.4 | -37 | -179.5 | -69.1 | -28.8 | 0 | 0 | 0 | 111.8 | G670 I671 V675 F676 M677 R753 | G670-D673 PolarHBondContact O-N 3.25Å; G670-D673 VanDerWaalsContact O-N 3.14Å; I671-D673 VanDerWaalsContact C-N 3.29Å; I671-D673 PolarHBondContact O-N 3.23Å; D673-V675 VanDerWaalsContact C-N 3.35Å; D673-F676 PolarHBondContact O-N 3.05Å; D673-M677 WeakPolarHBondContact O-CG 3.39Å; D673-M677 PolarHBondContact O-N 3.06Å; D673-R753 IonicContact OD1-CZ 3.29Å; D673-R753 VanDerWaalsContact OD1-CZ 3.22Å; D673-R753 IonicContact OD1-NH1 3.43Å; D673-R753 PolarHBondContact OD1-NH1 2.9Å; D673-R753 IonicContact OD1-NH2 3.63Å; D673-R753 PolarHBondContact OD1-NH2 3.07Å |
| 674 | T | 87.6 | Confident | 85.1 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 7% | 0.067 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.8 | -40 | 172.5 | 58 | 0 | 0 | 0 | 0 | 111.7 | N606 Q610 G670 I671 F676 M677 I678 | N606-T674 WeakPolarHBondContact OD1-CG2 3.19Å; N606-T674 PolarHBondContact OD1-OG1 2.96Å; Q610-T674 HydrophobicContact CG-CG2 3.79Å; G670-T674 WeakPolarHBondContact O-CG2 3.37Å; G670-T674 PolarHBondContact O-N 2.91Å; G670-T674 PolarHBondContact O-OG1 3.48Å; I671-T674 WeakPolarHBondContact CA-OG1 3.47Å; I671-T674 PolarHBondContact O-N 3.38Å; I671-T674 PolarHBondContact O-OG1 2.96Å; I671-T674 VanDerWaalsContact O-OG1 3.09Å; T674-F676 VanDerWaalsContact C-N 3.34Å; T674-M677 HydrophobicContact CG2-CE 4.19Å; T674-M677 PolarHBondContact O-N 3.18Å; T674-I678 VanDerWaalsContact O-CG1 3.28Å; T674-I678 WeakPolarHBondContact O-CG1 3.35Å; T674-I678 PolarHBondContact O-N 3.27Å |
| 675 | V | 90 | Very high | 85.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | 173.2 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | L609 F635 I640 I671 E672 D673 I678 Y679 L740 L750 | L609-V675 HydrophobicContact CD1-CG2 4.05Å; L609-V675 HydrophobicContact CD2-CG2 4.49Å; F635-V675 HydrophobicContact CE1-CG2 4.27Å; F635-V675 HydrophobicContact CZ-CG2 4.48Å; I640-V675 HydrophobicContact CD1-CB 4.37Å; I640-V675 HydrophobicContact CD1-CG1 3.87Å; I640-V675 HydrophobicContact CD1-CG2 3.79Å; I640-V675 HydrophobicContact CG1-CG2 4.41Å; I640-V675 HydrophobicContact CG2-CB 4.36Å; I640-V675 HydrophobicContact CG2-CG1 4.31Å; I640-V675 HydrophobicContact CG2-CG2 3.97Å; I671-V675 HydrophobicContact CG2-CG2 4.16Å; I671-V675 VanDerWaalsContact O-CB 3.32Å; I671-V675 WeakPolarHBondContact O-CB 3.25Å; I671-V675 WeakPolarHBondContact O-CG2 3.36Å; I671-V675 PolarHBondContact O-N 3.3Å; E672-V675 PolarHBondContact O-N 3.19Å; D673-V675 VanDerWaalsContact C-N 3.35Å; V675-I678 PolarHBondContact O-N 2.95Å; V675-Y679 WeakPolarHBondContact O-CB 3.37Å; V675-Y679 PolarHBondContact O-N 3.26Å; V675-L740 HydrophobicContact CG1-CD1 3.72Å; V675-L740 HydrophobicContact CG1-CD2 4.13Å; V675-L740 HydrophobicContact CG1-CG 4.17Å; V675-L750 HydrophobicContact CG1-CD2 4.44Å |
| 676 | F | 91 | Very high | 86.3 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 20% | 0.197 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 174.6 | -174 | -88.6 | 0 | 0 | 0 | 111.8 | E672 D673 T674 I678 Y679 E680 R753 L754 L757 | E672-F676 VanDerWaalsContact O-CB 3.29Å; E672-F676 WeakPolarHBondContact O-CB 3.43Å; E672-F676 PolarHBondContact O-N 3.03Å; D673-F676 PolarHBondContact O-N 3.05Å; T674-F676 VanDerWaalsContact C-N 3.34Å; F676-I678 PolarHBondContact O-N 3.37Å; F676-Y679 PolarHBondContact O-N 3.09Å; F676-E680 PolarHBondContact O-N 3.21Å; F676-R753 HydrophobicContact CD2-CB 4.21Å; F676-R753 HydrophobicContact CE2-CB 4.11Å; F676-L754 HydrophobicContact CD2-CD2 4.1Å; F676-L757 HydrophobicContact CD2-CD2 4.45Å; F676-L757 HydrophobicContact CE1-CD2 4.25Å; F676-L757 HydrophobicContact CE2-CB 4.14Å; F676-L757 HydrophobicContact CE2-CD2 4.07Å; F676-L757 HydrophobicContact CZ-CB 4.17Å; F676-L757 HydrophobicContact CZ-CD1 4.29Å; F676-L757 HydrophobicContact CZ-CD2 3.82Å; F676-L757 HydrophobicContact CZ-CG 4.32Å |
| 677 | M | 91.4 | Very high | 86.8 | Confident | 109.667 Ų | 109.667 | 33 Ų | 33 | 54% | 0.54 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.7 | -71.9 | -167.8 | -62.2 | 0 | 0 | 112.7 | D673 T674 Y679 E680 R681 | D673-M677 WeakPolarHBondContact O-CG 3.39Å; D673-M677 PolarHBondContact O-N 3.06Å; T674-M677 HydrophobicContact CG2-CE 4.19Å; T674-M677 PolarHBondContact O-N 3.18Å; M677-Y679 VanDerWaalsContact C-N 3.31Å; M677-Y679 PolarHBondContact O-N 3.14Å; M677-E680 PolarHBondContact O-N 3.27Å; M677-R681 WeakPolarHBondContact O-CB 3.26Å; M677-R681 PolarHBondContact O-N 3.13Å |
| 678 | I | 91.3 | Very high | 87.2 | Confident | 1.66667 Ų | 1.66667 | 35.3 Ų | 35.3 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.7 | -72.9 | 164.1 | 0 | 0 | 0 | 110.1 | L609 L616 L631 F635 T674 V675 F676 R681 I682 | L609-I678 HydrophobicContact CB-CD1 4.23Å; L609-I678 HydrophobicContact CD2-CD1 4.14Å; L616-I678 HydrophobicContact CD1-CG2 3.99Å; L631-I678 HydrophobicContact CD1-CG2 4.16Å; L631-I678 HydrophobicContact CD2-CD1 4.16Å; F635-I678 HydrophobicContact CZ-CD1 4.35Å; F635-I678 HydrophobicContact CZ-CG2 4.49Å; T674-I678 VanDerWaalsContact O-CG1 3.28Å; T674-I678 WeakPolarHBondContact O-CG1 3.35Å; T674-I678 PolarHBondContact O-N 3.27Å; V675-I678 PolarHBondContact O-N 2.95Å; F676-I678 PolarHBondContact O-N 3.37Å; I678-R681 PolarHBondContact O-N 3.17Å; I678-I682 HydrophobicContact CG2-CD1 3.81Å; I678-I682 HydrophobicContact CG2-CG1 4.48Å; I678-I682 WeakPolarHBondContact O-CD1 3.27Å; I678-I682 VanDerWaalsContact O-CG1 3.26Å; I678-I682 WeakPolarHBondContact O-CG1 3.24Å; I678-I682 PolarHBondContact O-N 3.13Å |
| 679 | Y | 93.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 178.8 | -174 | -116.2 | 0 | 0 | 0 | 112.8 | V675 F676 M677 R681 I682 L683 C737 L740 L754 L757 L758 Q778 L782 | V675-Y679 WeakPolarHBondContact O-CB 3.37Å; V675-Y679 PolarHBondContact O-N 3.26Å; F676-Y679 PolarHBondContact O-N 3.09Å; M677-Y679 VanDerWaalsContact C-N 3.31Å; M677-Y679 PolarHBondContact O-N 3.14Å; Y679-R681 VanDerWaalsContact C-N 3.32Å; Y679-R681 PolarHBondContact O-N 3.04Å; Y679-I682 PolarHBondContact O-N 2.96Å; Y679-L683 HydrophobicContact CD1-CD1 4.03Å; Y679-L683 HydrophobicContact CD1-CG 4.49Å; Y679-L683 HydrophobicContact CE1-CD1 3.59Å; Y679-L683 HydrophobicContact CE1-CG 4.26Å; Y679-L683 HydrophobicContact CE2-CD2 4.4Å; Y679-L683 HydrophobicContact CE2-CG 4.41Å; Y679-L683 WeakPolarHBondContact O-CG 3.34Å; Y679-L683 PolarHBondContact O-N 3.04Å; Y679-C737 HydrophobicContact CE2-CB 4.3Å; Y679-L740 HydrophobicContact CD2-CD1 4.29Å; Y679-L740 HydrophobicContact CD2-CD2 3.89Å; Y679-L740 HydrophobicContact CE2-CD2 4.04Å; Y679-L740 HydrophobicContact CG-CD2 3.88Å; Y679-L754 HydrophobicContact CD1-CB 4.19Å; Y679-L754 HydrophobicContact CD1-CD2 3.38Å; Y679-L754 VanDerWaalsContact CD1-CD2 3.48Å; Y679-L754 HydrophobicContact CD1-CG 4.36Å; Y679-L754 HydrophobicContact CE1-CB 4.04Å; Y679-L754 HydrophobicContact CE1-CD2 4.11Å; Y679-L754 WeakPolarHBondContact CE1-O 3.4Å; Y679-L754 HydrophobicContact CG-CD2 3.71Å; Y679-L757 HydrophobicContact CD1-CD2 3.88Å; Y679-L757 HydrophobicContact CE1-CD2 4.39Å; Y679-L758 HydrophobicContact CE1-CB 4.36Å; Y679-L758 WeakPolarHBondContact OH-CD1 3.27Å; Y679-Q778 PolarHBondContact OH-NE2 2.84Å; Y679-Q778 VanDerWaalsContact OH-NE2 3.08Å; Y679-L782 HydrophobicContact CE2-CD1 4.34Å; Y679-L782 VanDerWaalsContact OH-CD1 3.25Å; Y679-L782 WeakPolarHBondContact OH-CD1 3.27Å |
| 680 | E | 92.4 | Very high | 87.5 | Confident | 77.3333 Ų | 77.3333 | 31.4 Ų | 31.4 | 36% | 0.361 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 172.2 | -178.4 | 163.3 | -150.4 | 0 | 0 | 111.7 | F676 M677 I682 L683 T684 L757 R761 | F676-E680 PolarHBondContact O-N 3.21Å; M677-E680 PolarHBondContact O-N 3.27Å; E680-I682 VanDerWaalsContact C-N 3.34Å; E680-I682 PolarHBondContact O-N 3.16Å; E680-L683 PolarHBondContact O-N 3.26Å; E680-L683 VanDerWaalsContact O-N 3.15Å; E680-T684 PolarHBondContact O-N 3.1Å; E680-T684 PolarHBondContact O-OG1 2.56Å; E680-L757 HydrophobicContact CB-CD2 3.81Å; E680-L757 HydrophobicContact CG-CD2 4.31Å; E680-R761 IonicContact OE1-CZ 2.76Å; E680-R761 IonicContact OE1-NH2 3.54Å; E680-R761 PolarHBondContact OE1-NH2 3.28Å |
| 681 | R | 90.7 | Very high | 87.1 | Confident | 82 Ų | 82 | 33.5 Ų | 33.5 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.2 | -42.1 | 177.9 | -170.7 | 170.6 | -147.2 | 178.8 | 0.7 | 111.8 | S613 L616 M677 I678 Y679 L683 T684 Y685 | S613-R681 PolarHBondContact O-NH1 2.99Å; L616-R681 WeakPolarHBondContact O-CD 3.24Å; L616-R681 VanDerWaalsContact O-CZ 3.26Å; L616-R681 PolarHBondContact O-NE 3.32Å; L616-R681 VanDerWaalsContact O-NE 3.09Å; L616-R681 PolarHBondContact O-NH1 3.27Å; L616-R681 PolarHBondContact O-NH2 3.41Å; L616-R681 VanDerWaalsContact O-NH2 3.11Å; M677-R681 WeakPolarHBondContact O-CB 3.26Å; M677-R681 PolarHBondContact O-N 3.13Å; I678-R681 PolarHBondContact O-N 3.17Å; Y679-R681 VanDerWaalsContact C-N 3.32Å; Y679-R681 PolarHBondContact O-N 3.04Å; R681-L683 PolarHBondContact O-N 3.33Å; R681-T684 WeakPolarHBondContact CA-OG1 3.46Å; R681-T684 WeakPolarHBondContact O-CB 3.21Å; R681-T684 PolarHBondContact O-N 3.09Å; R681-T684 VanDerWaalsContact O-N 3.16Å; R681-T684 PolarHBondContact O-OG1 3.07Å; R681-Y685 HydrophobicContact CG-CD2 4.13Å; R681-Y685 HydrophobicContact CG-CE2 3.5Å; R681-Y685 VanDerWaalsContact CG-CE2 3.43Å; R681-Y685 VanDerWaalsContact CZ-OH 3.3Å; R681-Y685 PolarHBondContact NE-OH 3.02Å; R681-Y685 PolarHBondContact NH2-OH 2.98Å; R681-Y685 VanDerWaalsContact NH2-OH 3.13Å; R681-Y685 VanDerWaalsContact O-CD2 3.25Å; R681-Y685 WeakPolarHBondContact O-CD2 3.42Å; R681-Y685 PolarHBondContact O-N 3.12Å; R681-Y685 VanDerWaalsContact O-N 3.08Å |
| 682 | I | 90.4 | Very high | 86.1 | Confident | 0.333333 Ų | 0.333333 | 37.9 Ų | 37.9 | 0% | 0.002 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 173.6 | -68.3 | 161.2 | 0 | 0 | 0 | 111.1 | L616 I678 Y679 E680 T684 Y685 L686 L733 L736 C737 | L616-I682 HydrophobicContact CD1-CG1 4.42Å; I678-I682 HydrophobicContact CG2-CD1 3.81Å; I678-I682 HydrophobicContact CG2-CG1 4.48Å; I678-I682 WeakPolarHBondContact O-CD1 3.27Å; I678-I682 VanDerWaalsContact O-CG1 3.26Å; I678-I682 WeakPolarHBondContact O-CG1 3.24Å; I678-I682 PolarHBondContact O-N 3.13Å; Y679-I682 PolarHBondContact O-N 2.96Å; E680-I682 VanDerWaalsContact C-N 3.34Å; E680-I682 PolarHBondContact O-N 3.16Å; I682-T684 VanDerWaalsContact C-N 3.29Å; I682-T684 PolarHBondContact O-N 2.92Å; I682-Y685 PolarHBondContact O-N 3.17Å; I682-L686 HydrophobicContact CG2-CD1 3.94Å; I682-L686 HydrophobicContact CG2-CG 4.39Å; I682-L686 VanDerWaalsContact O-CG 3.31Å; I682-L686 WeakPolarHBondContact O-CG 3.34Å; I682-L686 PolarHBondContact O-N 3.21Å; I682-L733 HydrophobicContact CG1-CD2 4.21Å; I682-L733 HydrophobicContact CG2-CB 4.18Å; I682-L733 HydrophobicContact CG2-CD2 3.99Å; I682-L733 HydrophobicContact CG2-CG 4.49Å; I682-L736 HydrophobicContact CD1-CD2 3.55Å; I682-L736 VanDerWaalsContact CD1-CD2 3.47Å; I682-L736 HydrophobicContact CD1-CG 4.05Å; I682-L736 HydrophobicContact CG1-CD2 4.24Å; I682-C737 VanDerWaalsContact CG2-SG 3.56Å; I682-C737 WeakPolarHBondContact CG2-SG 3.36Å |
| 683 | L | 90.2 | Very high | 84.7 | Confident | 3.66667 Ų | 3.66667 | 37.3 Ų | 37.3 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -35.4 | 177.1 | -69.7 | 177.2 | 0 | 0 | 0 | 112.3 | Y679 E680 R681 L686 S687 L757 L758 R761 | Y679-L683 HydrophobicContact CD1-CD1 4.03Å; Y679-L683 HydrophobicContact CD1-CG 4.49Å; Y679-L683 HydrophobicContact CE1-CD1 3.59Å; Y679-L683 HydrophobicContact CE1-CG 4.26Å; Y679-L683 HydrophobicContact CE2-CD2 4.4Å; Y679-L683 HydrophobicContact CE2-CG 4.41Å; Y679-L683 WeakPolarHBondContact O-CG 3.34Å; Y679-L683 PolarHBondContact O-N 3.04Å; E680-L683 PolarHBondContact O-N 3.26Å; E680-L683 VanDerWaalsContact O-N 3.15Å; R681-L683 PolarHBondContact O-N 3.33Å; L683-L686 HydrophobicContact CD2-CD1 4.25Å; L683-L686 PolarHBondContact O-N 3.42Å; L683-S687 PolarHBondContact O-N 2.9Å; L683-S687 PolarHBondContact O-OG 3.33Å; L683-L757 HydrophobicContact CD1-CD2 4.05Å; L683-L757 HydrophobicContact CD1-CG 3.93Å; L683-L758 HydrophobicContact CD2-CD1 3.94Å; L683-R761 HydrophobicContact CB-CG 4.33Å; L683-R761 HydrophobicContact CD1-CB 4.33Å; L683-R761 HydrophobicContact CD1-CG 4Å |
| 684 | T | 89.4 | Confident | 82.9 | Confident | 40 Ų | 40 | 36.6 Ų | 36.6 | 25% | 0.245 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.2 | -40.2 | 174.7 | 26.7 | 0 | 0 | 0 | 0 | 112.5 | E680 R681 I682 S687 M688 | E680-T684 PolarHBondContact O-N 3.1Å; E680-T684 PolarHBondContact O-OG1 2.56Å; R681-T684 WeakPolarHBondContact CA-OG1 3.46Å; R681-T684 WeakPolarHBondContact O-CB 3.21Å; R681-T684 PolarHBondContact O-N 3.09Å; R681-T684 VanDerWaalsContact O-N 3.16Å; R681-T684 PolarHBondContact O-OG1 3.07Å; I682-T684 VanDerWaalsContact C-N 3.29Å; I682-T684 PolarHBondContact O-N 2.92Å; T684-S687 VanDerWaalsContact C-OG 3.31Å; T684-S687 WeakPolarHBondContact CA-OG 3.4Å; T684-S687 PolarHBondContact O-N 3.24Å; T684-S687 PolarHBondContact O-OG 3.18Å; T684-M688 HydrophobicContact CG2-CE 4.06Å; T684-M688 WeakPolarHBondContact O-CG 3.38Å; T684-M688 PolarHBondContact O-N 3.23Å |
| 685 | Y | 87.6 | Confident | 80.6 | Confident | 22.3333 Ų | 22.3333 | 41.5 Ų | 41.5 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.9 | -36.1 | 174.9 | -63.8 | -39.5 | 0 | 0 | 0 | 112.8 | L616 M618 F624 R681 I682 S687 M688 L689 | L616-Y685 HydrophobicContact CB-CE2 4.27Å; L616-Y685 VanDerWaalsContact O-CE2 3.31Å; L616-Y685 WeakPolarHBondContact O-CE2 3.45Å; L616-Y685 VanDerWaalsContact O-CZ 3.26Å; L616-Y685 PolarHBondContact O-OH 2.99Å; L616-Y685 VanDerWaalsContact O-OH 3.1Å; M618-Y685 HydrophobicContact CB-CD1 4.45Å; M618-Y685 HydrophobicContact CB-CE1 4.26Å; M618-Y685 HydrophobicContact CG-CD1 3.43Å; M618-Y685 VanDerWaalsContact CG-CD1 3.45Å; M618-Y685 HydrophobicContact CG-CD2 4.02Å; M618-Y685 HydrophobicContact CG-CE1 3.64Å; M618-Y685 HydrophobicContact CG-CE2 4.01Å; M618-Y685 HydrophobicContact CG-CG 3.65Å; M618-Y685 HydrophobicContact SD-CD2 4.36Å; M618-Y685 HydrophobicContact SD-CG 4.29Å; F624-Y685 AromaticContact CE2-CD2 3.99Å; F624-Y685 HydrophobicContact CE2-CD2 4.11Å; F624-Y685 HydrophobicContact CE2-CE2 4.26Å; R681-Y685 HydrophobicContact CG-CD2 4.13Å; R681-Y685 HydrophobicContact CG-CE2 3.5Å; R681-Y685 VanDerWaalsContact CG-CE2 3.43Å; R681-Y685 VanDerWaalsContact CZ-OH 3.3Å; R681-Y685 PolarHBondContact NE-OH 3.02Å; R681-Y685 PolarHBondContact NH2-OH 2.98Å; R681-Y685 VanDerWaalsContact NH2-OH 3.13Å; R681-Y685 VanDerWaalsContact O-CD2 3.25Å; R681-Y685 WeakPolarHBondContact O-CD2 3.42Å; R681-Y685 PolarHBondContact O-N 3.12Å; R681-Y685 VanDerWaalsContact O-N 3.08Å; I682-Y685 PolarHBondContact O-N 3.17Å; Y685-S687 VanDerWaalsContact C-N 3.29Å; Y685-S687 PolarHBondContact O-N 3.07Å; Y685-M688 HydrophobicContact CD1-SD 3.87Å; Y685-M688 HydrophobicContact CE1-SD 4.3Å; Y685-M688 PolarHBondContact O-N 3.12Å; Y685-L689 WeakPolarHBondContact O-CB 3.41Å; Y685-L689 WeakPolarHBondContact O-CG 3.38Å; Y685-L689 PolarHBondContact O-N 3.25Å |
| 686 | L | 85.8 | Confident | 78 | Confident | 1.66667 Ų | 1.66667 | 43.8 Ų | 43.8 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.6 | -36.1 | 171.7 | -73.3 | 169.7 | 0 | 0 | 0 | 112 | I682 L683 N690 M730 L733 T734 | I682-L686 HydrophobicContact CG2-CD1 3.94Å; I682-L686 HydrophobicContact CG2-CG 4.39Å; I682-L686 VanDerWaalsContact O-CG 3.31Å; I682-L686 WeakPolarHBondContact O-CG 3.34Å; I682-L686 PolarHBondContact O-N 3.21Å; L683-L686 HydrophobicContact CD2-CD1 4.25Å; L683-L686 PolarHBondContact O-N 3.42Å; L686-N690 VanDerWaalsContact O-CB 3.29Å; L686-N690 WeakPolarHBondContact O-CB 3.33Å; L686-N690 PolarHBondContact O-N 2.91Å; L686-N690 VanDerWaalsContact O-N 3.09Å; L686-M730 HydrophobicContact CD2-CG 4.28Å; L686-M730 HydrophobicContact CD2-SD 3.37Å; L686-M730 WeakPolarHBondContact CD2-SD 3.34Å; L686-L733 HydrophobicContact CD1-CB 4.49Å; L686-L733 HydrophobicContact CD2-CB 3.79Å; L686-L733 HydrophobicContact CD2-CD1 3.97Å; L686-L733 HydrophobicContact CG-CB 4.19Å; L686-L733 HydrophobicContact CG-CD1 4.03Å; L686-T734 HydrophobicContact CD1-CG2 4.35Å; L686-T734 HydrophobicContact CD2-CG2 4.02Å |
| 687 | S | 86.7 | Confident | 75.3 | Confident | 9.33333 Ų | 9.33333 | 45.8 Ų | 45.8 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.3 | -41.6 | 171.8 | 46.4 | 0 | 0 | 0 | 0 | 113.2 | L683 T684 Y685 L689 N690 D691 R761 | L683-S687 PolarHBondContact O-N 2.9Å; L683-S687 PolarHBondContact O-OG 3.33Å; T684-S687 VanDerWaalsContact C-OG 3.31Å; T684-S687 WeakPolarHBondContact CA-OG 3.4Å; T684-S687 PolarHBondContact O-N 3.24Å; T684-S687 PolarHBondContact O-OG 3.18Å; Y685-S687 VanDerWaalsContact C-N 3.29Å; Y685-S687 PolarHBondContact O-N 3.07Å; S687-L689 PolarHBondContact O-N 3.21Å; S687-N690 WeakPolarHBondContact O-CB 3.3Å; S687-N690 PolarHBondContact O-N 3.39Å; S687-N690 VanDerWaalsContact O-N 3.13Å; S687-D691 WeakPolarHBondContact O-CB 3.28Å; S687-D691 PolarHBondContact O-N 3.33Å; S687-R761 PolarHBondContact OG-NH2 3.43Å |
| 688 | M | 83.8 | Confident | 72.2 | Confident | 103.333 Ų | 103.333 | 46.5 Ų | 46.5 | 51% | 0.509 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.2 | -51.6 | 177.2 | -71.1 | 170.8 | 173.9 | 0 | 0 | 111.4 | T684 Y685 N690 D691 D692 | T684-M688 HydrophobicContact CG2-CE 4.06Å; T684-M688 WeakPolarHBondContact O-CG 3.38Å; T684-M688 PolarHBondContact O-N 3.23Å; Y685-M688 HydrophobicContact CD1-SD 3.87Å; Y685-M688 HydrophobicContact CE1-SD 4.3Å; Y685-M688 PolarHBondContact O-N 3.12Å; M688-N690 PolarHBondContact O-N 3.08Å; M688-N690 VanDerWaalsContact O-N 3.14Å; M688-D691 PolarHBondContact O-N 3.42Å; M688-D691 VanDerWaalsContact O-N 3.12Å; M688-D692 PolarHBondContact O-N 3.22Å |
| 689 | L | 79.2 | Confident | 69.2 | Low | 10.6667 Ų | 10.6667 | 53.2 Ų | 53.2 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -22.4 | 176.7 | -67.7 | 173.8 | 0 | 0 | 0 | 113.6 | M618 Y685 S687 R722 D726 Q729 M730 L733 | M618-L689 HydrophobicContact CE-CD1 3.94Å; M618-L689 HydrophobicContact CE-CD2 3.82Å; M618-L689 HydrophobicContact CE-CG 4.04Å; Y685-L689 WeakPolarHBondContact O-CB 3.41Å; Y685-L689 WeakPolarHBondContact O-CG 3.38Å; Y685-L689 PolarHBondContact O-N 3.25Å; S687-L689 PolarHBondContact O-N 3.21Å; L689-R722 PolarHBondContact O-NH2 3.49Å; L689-D726 HydrophobicContact CD2-CB 4.23Å; L689-Q729 HydrophobicContact CD1-CB 4.16Å; L689-M730 HydrophobicContact CB-CE 3.48Å; L689-M730 VanDerWaalsContact CB-CE 3.4Å; L689-M730 HydrophobicContact CB-CG 4.25Å; L689-M730 HydrophobicContact CB-SD 4.39Å; L689-M730 HydrophobicContact CD1-CE 4.35Å; L689-M730 HydrophobicContact CD1-CG 3.79Å; L689-M730 WeakPolarHBondContact O-CE 3.45Å; L689-L733 HydrophobicContact CD1-CD1 4.27Å |
| 690 | N | 79.1 | Confident | 66 | Low | 0.333333 Ų | 0.333333 | 60.1 Ų | 60.1 | 0% | 0.002 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -75.3 | -47.3 | 171.9 | 177.8 | 85.1 | 0 | 0 | 0 | 110.6 | L686 S687 M688 S693 T694 Q766 W767 S768 T771 | L686-N690 VanDerWaalsContact O-CB 3.29Å; L686-N690 WeakPolarHBondContact O-CB 3.33Å; L686-N690 PolarHBondContact O-N 2.91Å; L686-N690 VanDerWaalsContact O-N 3.09Å; S687-N690 WeakPolarHBondContact O-CB 3.3Å; S687-N690 PolarHBondContact O-N 3.39Å; S687-N690 VanDerWaalsContact O-N 3.13Å; M688-N690 PolarHBondContact O-N 3.08Å; M688-N690 VanDerWaalsContact O-N 3.14Å; N690-S693 PolarHBondContact O-N 3.22Å; N690-S693 PolarHBondContact O-OG 3.21Å; N690-T694 WeakPolarHBondContact O-CG2 3.35Å; N690-T694 PolarHBondContact O-N 3.11Å; N690-T694 VanDerWaalsContact O-N 3.16Å; N690-Q766 PolarHBondContact ND2-O 3.12Å; N690-W767 HydrophobicContact CB-CE3 4.06Å; N690-W767 HydrophobicContact CB-CZ3 4.06Å; N690-W767 WeakPolarHBondContact OD1-CA 3.25Å; N690-S768 WeakPolarHBondContact OD1-CB 3.36Å; N690-S768 PolarHBondContact OD1-N 3.08Å; N690-S768 PolarHBondContact OD1-OG 3.12Å; N690-T771 HydrophobicContact CB-CG2 4.38Å; N690-T771 PolarHBondContact OD1-OG1 3.38Å |
| 691 | D | 72.4 | Confident | 62.9 | Low | 67.6667 Ų | 67.6667 | 60.4 Ų | 60.4 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.6 | -36.8 | -174.2 | -63 | -9.9 | 0 | 0 | 0 | 111.7 | S687 M688 S693 T694 N695 | S687-D691 WeakPolarHBondContact O-CB 3.28Å; S687-D691 PolarHBondContact O-N 3.33Å; M688-D691 PolarHBondContact O-N 3.42Å; M688-D691 VanDerWaalsContact O-N 3.12Å; D691-S693 PolarHBondContact O-N 3.09Å; D691-T694 WeakPolarHBondContact CA-OG1 3.49Å; D691-T694 WeakPolarHBondContact O-CA 3.48Å; D691-T694 WeakPolarHBondContact O-CB 3.3Å; D691-T694 PolarHBondContact O-N 3.03Å; D691-T694 PolarHBondContact O-OG1 3.29Å; D691-N695 PolarHBondContact O-N 3.23Å; D691-N695 PolarHBondContact O-ND2 3.04Å |
| 692 | D | 62.8 | Low | 59.9 | Low | 102.333 Ų | 102.333 | 63.4 Ų | 63.4 | 55% | 0.547 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.4 | -38.7 | 173.3 | -70.4 | -30 | 0 | 0 | 0 | 112.1 | M688 T694 N695 S696 | M688-D692 PolarHBondContact O-N 3.22Å; D692-T694 PolarHBondContact O-N 3.04Å; D692-T694 VanDerWaalsContact O-N 3.16Å; D692-N695 PolarHBondContact O-N 3.25Å; D692-N695 VanDerWaalsContact O-N 3.1Å; D692-S696 PolarHBondContact O-N 3.39Å; D692-S696 PolarHBondContact O-OG 3.4Å; D692-S696 VanDerWaalsContact O-OG 3.09Å |
| 693 | S | 55.7 | Low | 56.9 | Low | 15 Ų | 15 | 67.1 Ų | 67.1 | 11% | 0.105 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.4 | -13 | 176.8 | 74.9 | 0 | 0 | 0 | 0 | 114.5 | N690 D691 S696 V697 R722 | N690-S693 PolarHBondContact O-N 3.22Å; N690-S693 PolarHBondContact O-OG 3.21Å; D691-S693 PolarHBondContact O-N 3.09Å; S693-S696 PolarHBondContact O-OG 3.03Å; S693-V697 VanDerWaalsContact O-CG2 3.24Å; S693-V697 WeakPolarHBondContact O-CG2 3.46Å; S693-R722 VanDerWaalsContact CB-NE 3.3Å; S693-R722 PolarHBondContact OG-NE 2.84Å; S693-R722 PolarHBondContact OG-NH1 3.4Å; S693-R722 PolarHBondContact OG-NH2 3.35Å |
| 694 | T | 49.2 | Very low | 53.9 | Low | 66 Ų | 66 | 73.7 Ų | 73.7 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -88.4 | -25.7 | 174 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | N690 D691 D692 S696 V697 N698 | N690-T694 WeakPolarHBondContact O-CG2 3.35Å; N690-T694 PolarHBondContact O-N 3.11Å; N690-T694 VanDerWaalsContact O-N 3.16Å; D691-T694 WeakPolarHBondContact CA-OG1 3.49Å; D691-T694 WeakPolarHBondContact O-CA 3.48Å; D691-T694 WeakPolarHBondContact O-CB 3.3Å; D691-T694 PolarHBondContact O-N 3.03Å; D691-T694 PolarHBondContact O-OG1 3.29Å; D692-T694 PolarHBondContact O-N 3.04Å; D692-T694 VanDerWaalsContact O-N 3.16Å; T694-S696 VanDerWaalsContact C-N 3.34Å; T694-S696 PolarHBondContact O-N 3.41Å; T694-V697 PolarHBondContact O-N 2.98Å; T694-V697 VanDerWaalsContact O-N 3.11Å; T694-N698 PolarHBondContact O-N 3.17Å |
| 695 | N | 40.6 | Very low | 50.9 | Low | 113.667 Ų | 113.667 | 77.7 Ų | 77.7 | 61% | 0.608 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -89.2 | -17.6 | -176.8 | -71.9 | -38.9 | 0 | 0 | 0 | 113.5 | D691 D692 V697 N698 L699 | D691-N695 PolarHBondContact O-N 3.23Å; D691-N695 PolarHBondContact O-ND2 3.04Å; D692-N695 PolarHBondContact O-N 3.25Å; D692-N695 VanDerWaalsContact O-N 3.1Å; N695-V697 VanDerWaalsContact C-N 3.29Å; N695-V697 PolarHBondContact O-N 3.13Å; N695-N698 PolarHBondContact O-N 3.15Å; N695-L699 PolarHBondContact O-N 3.28Å |
| 696 | S | 35.7 | Very low | 48.1 | Very low | 48.6667 Ų | 48.6667 | 79.4 Ų | 79.4 | 34% | 0.34 | 44% | 0.439 | S | S | . | . | trans | -71.6 | 52.8 | 179.7 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | D692 S693 T694 | D692-S696 PolarHBondContact O-N 3.39Å; D692-S696 PolarHBondContact O-OG 3.4Å; D692-S696 VanDerWaalsContact O-OG 3.09Å; S693-S696 PolarHBondContact O-OG 3.03Å; T694-S696 VanDerWaalsContact C-N 3.34Å; T694-S696 PolarHBondContact O-N 3.41Å | ||
| 697 | V | 32.7 | Very low | 45.5 | Very low | 85.6667 Ų | 85.6667 | 85.3 Ų | 85.3 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | trans | -89.6 | 16.4 | 173.8 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | S693 T694 N695 S701 | S693-V697 VanDerWaalsContact O-CG2 3.24Å; S693-V697 WeakPolarHBondContact O-CG2 3.46Å; T694-V697 PolarHBondContact O-N 2.98Å; T694-V697 VanDerWaalsContact O-N 3.11Å; N695-V697 VanDerWaalsContact C-N 3.29Å; N695-V697 PolarHBondContact O-N 3.13Å; V697-S701 WeakPolarHBondContact O-CB 3.45Å; V697-S701 PolarHBondContact O-N 3.29Å; V697-S701 PolarHBondContact O-OG 3.06Å | ||
| 698 | N | 27.3 | Very low | 42.9 | Very low | 125 Ų | 125 | 88.3 Ų | 88.3 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | trans | -61.1 | 92.3 | -175 | -69 | -29.1 | 0 | 0 | 0 | 114.9 | T694 N695 Q700 S701 | T694-N698 PolarHBondContact O-N 3.17Å; N695-N698 PolarHBondContact O-N 3.15Å; N698-Q700 VanDerWaalsContact C-N 3.33Å; N698-Q700 PolarHBondContact O-N 2.82Å; N698-S701 PolarHBondContact O-N 2.92Å; N698-S701 PolarHBondContact O-OG 2.88Å | ||
| 699 | L | 27.7 | Very low | 40.5 | Very low | 142.333 Ų | 142.333 | 85.5 Ų | 85.5 | 75% | 0.745 | 47% | 0.474 | S | S | * | . | trans | -93 | 116.7 | 168.4 | -89.1 | 130.1 | 0 | 0 | 0 | 113.6 | N695 | N695-L699 PolarHBondContact O-N 3.28Š| ||
| 700 | Q | 26.9 | Very low | 38.4 | Very low | 145.333 Ų | 145.333 | 89.8 Ų | 89.8 | 68% | 0.679 | 49% | 0.49 | S | S | * | . | trans | -100.4 | 143.1 | 167.7 | -66.5 | 178.7 | -10.3 | 0 | 0 | 113.4 | N698 I702 N718 | N698-Q700 VanDerWaalsContact C-N 3.33Å; N698-Q700 PolarHBondContact O-N 2.82Å; Q700-I702 VanDerWaalsContact C-N 3.28Å; Q700-I702 PolarHBondContact O-N 3.26Å; Q700-N718 PolarHBondContact OE1-O 3.08Å | ||
| 701 | S | 27.1 | Very low | 36.5 | Very low | 83.3333 Ų | 83.3333 | 90.9 Ų | 90.9 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | trans | 43.9 | 37.4 | 179.9 | 68.9 | 0 | 0 | 0 | 0 | 118 | V697 N698 S703 | V697-S701 WeakPolarHBondContact O-CB 3.45Å; V697-S701 PolarHBondContact O-N 3.29Å; V697-S701 PolarHBondContact O-OG 3.06Å; N698-S701 PolarHBondContact O-N 2.92Å; N698-S701 PolarHBondContact O-OG 2.88Å; S701-S703 PolarHBondContact O-N 3.05Å; S701-S703 VanDerWaalsContact O-N 3.1Å | ||
| 702 | I | 27.3 | Very low | 34.9 | Very low | 144 Ų | 144 | 90.8 Ų | 90.8 | 74% | 0.738 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 53.7 | 162.6 | -55.2 | 177.1 | 0 | 0 | 0 | 110.2 | Q700 L705 | Q700-I702 VanDerWaalsContact C-N 3.28Å; Q700-I702 PolarHBondContact O-N 3.26Å; I702-L705 HydrophobicContact CG2-CB 4.33Å |
| 703 | S | 28.1 | Very low | 33.9 | Very low | 78.6667 Ų | 78.6667 | 88.3 Ų | 88.3 | 55% | 0.55 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -17.8 | 177.6 | 53.8 | 0 | 0 | 0 | 0 | 115.1 | S701 | S701-S703 PolarHBondContact O-N 3.05Å; S701-S703 VanDerWaalsContact O-N 3.1Å |
| 704 | H | 27.5 | Very low | 33.2 | Very low | 142 Ų | 142 | 88.9 Ų | 88.9 | 66% | 0.657 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -116.6 | 22.2 | -170.4 | -61.4 | -67.1 | 0 | 0 | 0 | 114.4 | S706 | H704-S706 PolarHBondContact O-N 3Š|
| 705 | L | 26.8 | Very low | 32.7 | Very low | 123.333 Ų | 123.333 | 87 Ų | 87 | 65% | 0.646 | 48% | 0.479 | S | S | * | . | trans | -96.4 | 12.8 | 176.5 | -89.3 | 150.8 | 0 | 0 | 0 | 114.1 | I702 N707 T708 | I702-L705 HydrophobicContact CG2-CB 4.33Å; L705-N707 PolarHBondContact O-N 3.28Å; L705-N707 VanDerWaalsContact O-N 3.1Å; L705-T708 HydrophobicContact CD2-CG2 3.69Å; L705-T708 PolarHBondContact O-N 3.15Å; L705-T708 PolarHBondContact O-OG1 3.18Å | ||
| 706 | S | 28.6 | Very low | 32.5 | Very low | 60 Ų | 60 | 83.2 Ų | 83.2 | 42% | 0.42 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 36.1 | -177 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | H704 T708 | H704-S706 PolarHBondContact O-N 3Å; S706-T708 VanDerWaalsContact C-N 3.28Å; S706-T708 PolarHBondContact O-N 3.01Å; S706-T708 PolarHBondContact O-OG1 3.28Å |
| 707 | N | 29.9 | Very low | 32.6 | Very low | 124 Ų | 124 | 85.2 Ų | 85.2 | 66% | 0.663 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 3 | 177.6 | -73.5 | -31.3 | 0 | 0 | 0 | 114 | L705 M709 | L705-N707 PolarHBondContact O-N 3.28Å; L705-N707 VanDerWaalsContact O-N 3.1Å; N707-M709 PolarHBondContact O-N 3.26Å |
| 708 | T | 32.3 | Very low | 32.7 | Very low | 72 Ų | 72 | 87.3 Ų | 87.3 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -89.5 | 104.5 | 176.2 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | L705 S706 Y710 P717 | L705-T708 HydrophobicContact CD2-CG2 3.69Å; L705-T708 PolarHBondContact O-N 3.15Å; L705-T708 PolarHBondContact O-OG1 3.18Å; S706-T708 VanDerWaalsContact C-N 3.28Å; S706-T708 PolarHBondContact O-N 3.01Å; S706-T708 PolarHBondContact O-OG1 3.28Å; T708-Y710 VanDerWaalsContact C-N 3.3Å; T708-Y710 PolarHBondContact O-N 3.07Å; T708-Y710 VanDerWaalsContact O-N 3.08Å; T708-P717 HydrophobicContact CG2-CG 3.54Å |
| 709 | M | 32.9 | Very low | 33.1 | Very low | 44.6667 Ų | 44.6667 | 82.4 Ų | 82.4 | 22% | 0.22 | 46% | 0.459 | C | S | . | . | trans | -58.9 | 91 | -170.5 | -141.9 | 174.8 | 134.7 | 0 | 0 | 113.4 | N707 R711 P905 T1045 N1203 N1204 C1208 L1378 | N707-M709 PolarHBondContact O-N 3.26Å; M709-R711 VanDerWaalsContact C-N 3.31Å; M709-R711 PolarHBondContact O-N 3.16Å; M709-P905 HydrophobicContact CE-CB 3.28Å; M709-P905 HydrophobicContact CE-CG 3.32Å; M709-T1045 HydrophobicContact CE-CG2 3.19Å; M709-T1045 HydrophobicContact SD-CG2 4.2Å; M709-N1203 PolarHBondContact SD-ND2 3.12Å; M709-N1204 HydrophobicContact CE-CB 4.03Å; M709-N1204 WeakPolarHBondContact CE-OD1 3.28Å; M709-C1208 HydrophobicContact CE-CB 3.87Å; M709-C1208 HydrophobicContact SD-CB 3.71Å; M709-L1378 HydrophobicContact CE-CD1 4.21Å; M709-L1378 HydrophobicContact SD-CD1 4.22Å | ||
| 710 | Y | 35.5 | Very low | 33.7 | Very low | 101 Ų | 101 | 80.7 Ų | 80.7 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | trans | -66.1 | 113.4 | 173.2 | -140.3 | -90.6 | 0 | 0 | 0 | 110 | T708 P712 P716 P721 | T708-Y710 VanDerWaalsContact C-N 3.3Å; T708-Y710 PolarHBondContact O-N 3.07Å; T708-Y710 VanDerWaalsContact O-N 3.08Å; Y710-P712 HydrophobicContact CD1-CG 4.36Å; Y710-P712 VanDerWaalsContact O-CD 3.29Å; Y710-P712 WeakPolarHBondContact O-CD 3.31Å; Y710-P716 HydrophobicContact CD2-CB 4.35Å; Y710-P716 HydrophobicContact CE2-CB 3.99Å; Y710-P716 HydrophobicContact CE2-CG 4.04Å; Y710-P721 HydrophobicContact CE2-CB 4.28Å; Y710-P721 WeakPolarHBondContact OH-CA 3.1Å | ||
| 711 | R | 40.4 | Very low | 34.8 | Very low | 23.6667 Ų | 23.6667 | 78 Ų | 78 | 9% | 0.089 | 44% | 0.443 | C | S | . | . | trans | -78.1 | 114.8 | 160 | -86.2 | -175.1 | 176.5 | -173.7 | -0.8 | 106.8 | M709 Q713 T714 E909 V1205 N1209 | M709-R711 VanDerWaalsContact C-N 3.31Å; M709-R711 PolarHBondContact O-N 3.16Å; R711-Q713 PolarHBondContact O-N 3.2Å; R711-T714 HydrophobicContact CB-CG2 4.16Å; R711-T714 WeakPolarHBondContact CB-OG1 3.48Å; R711-T714 CarbonylContact O-C 3.58Å; R711-T714 VanDerWaalsContact O-C 3.3Å; R711-T714 PolarHBondContact O-N 3.24Å; R711-T714 PolarHBondContact O-OG1 3.09Å; R711-T714 VanDerWaalsContact O-OG1 3.11Å; R711-E909 WeakPolarHBondContact CD-OE2 3.26Å; R711-E909 IonicContact CZ-OE2 2.95Å; R711-E909 IonicContact NE-OE2 2.93Å; R711-E909 IonicContact NH1-OE2 3.3Å; R711-E909 PolarHBondContact NH1-OE2 3.15Å; R711-V1205 HydrophobicContact CG-CG1 4.19Å; R711-V1205 HydrophobicContact CG-CG2 4.16Å; R711-V1205 VanDerWaalsContact NH2-CG1 3.29Å; R711-N1209 PolarHBondContact NH2-ND2 3.47Å; R711-N1209 PolarHBondContact NH2-OD1 3.18Å | ||
| 712 | P | 38.9 | Very low | 36.2 | Very low | 66.3333 Ų | 66.3333 | 76.2 Ų | 76.2 | 43% | 0.431 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -9.5 | -173.8 | -22 | 33.5 | 0 | 0 | 0 | 114.7 | Y710 T714 P769 | Y710-P712 HydrophobicContact CD1-CG 4.36Å; Y710-P712 VanDerWaalsContact O-CD 3.29Å; Y710-P712 WeakPolarHBondContact O-CD 3.31Å; P712-T714 VanDerWaalsContact C-N 3.35Å; P712-P769 HydrophobicContact CB-CB 3.41Å; P712-P769 VanDerWaalsContact CB-CB 3.41Å; P712-P769 HydrophobicContact CB-CG 3.67Å; P712-P769 HydrophobicContact CG-CB 3.53Å; P712-P769 HydrophobicContact CG-CG 3.58Å |
| 713 | Q | 40.2 | Very low | 37.7 | Very low | 49.6667 Ų | 49.6667 | 71.7 Ų | 71.7 | 23% | 0.232 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -11.8 | -174.8 | -60 | -176.7 | -2.7 | 0 | 0 | 114 | R711 G715 R773 A906 N1042 P1228 | R711-Q713 PolarHBondContact O-N 3.2Å; Q713-G715 VanDerWaalsContact C-N 3.28Å; Q713-G715 PolarHBondContact O-N 2.97Å; Q713-R773 VanDerWaalsContact CG-NH1 3.3Å; Q713-A906 VanDerWaalsContact O-CB 3.32Å; Q713-A906 WeakPolarHBondContact O-CB 3.16Å; Q713-N1042 PolarHBondContact NE2-ND2 3.08Å; Q713-P1228 PolarHBondContact NE2-O 3.18Å |
| 714 | T | 40.9 | Very low | 39.3 | Very low | 28.3333 Ų | 28.3333 | 74.4 Ų | 74.4 | 17% | 0.174 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -102.9 | 24.1 | 172.2 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | R711 P712 P716 P769 Y837 A906 | R711-T714 HydrophobicContact CB-CG2 4.16Å; R711-T714 WeakPolarHBondContact CB-OG1 3.48Å; R711-T714 CarbonylContact O-C 3.58Å; R711-T714 VanDerWaalsContact O-C 3.3Å; R711-T714 PolarHBondContact O-N 3.24Å; R711-T714 PolarHBondContact O-OG1 3.09Å; R711-T714 VanDerWaalsContact O-OG1 3.11Å; P712-T714 VanDerWaalsContact C-N 3.35Å; T714-P716 VanDerWaalsContact O-N 3.16Å; T714-P769 WeakPolarHBondContact O-CG 3.36Å; T714-Y837 WeakPolarHBondContact CG2-OH 3.4Å; T714-A906 HydrophobicContact CG2-CB 3.89Å |
| 715 | G | 38.9 | Very low | 41.1 | Very low | 26 Ų | 26 | 72.4 Ų | 72.4 | 27% | 0.268 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -64.1 | 153 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q713 P717 | Q713-G715 VanDerWaalsContact C-N 3.28Å; Q713-G715 PolarHBondContact O-N 2.97Å; G715-P717 VanDerWaalsContact O-N 3.11Å |
| 716 | P | 36.4 | Very low | 43.1 | Very low | 33.3333 Ų | 33.3333 | 69 Ų | 69 | 22% | 0.216 | 38% | 0.379 | C | S | . | . | trans | -53.2 | 146.1 | 179 | 6 | -10.4 | 0 | 0 | 0 | 110.5 | Y710 T714 N718 G719 | Y710-P716 HydrophobicContact CD2-CB 4.35Å; Y710-P716 HydrophobicContact CE2-CB 3.99Å; Y710-P716 HydrophobicContact CE2-CG 4.04Å; T714-P716 VanDerWaalsContact O-N 3.16Å; P716-N718 VanDerWaalsContact C-N 3.29Å; P716-N718 PolarHBondContact O-N 3.38Å; P716-G719 CarbonylContact O-C 3.51Å; P716-G719 PolarHBondContact O-N 2.94Å; P716-G719 VanDerWaalsContact O-N 3.08Å | ||
| 717 | P | 37.5 | Very low | 44.9 | Very low | 90.6667 Ų | 90.6667 | 68.5 Ų | 68.5 | 59% | 0.589 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -24 | -163.6 | 15.6 | -29.6 | 0 | 0 | 0 | 115.5 | T708 G715 R827 | T708-P717 HydrophobicContact CG2-CG 3.54Å; G715-P717 VanDerWaalsContact O-N 3.11Å; P717-R827 PolarHBondContact O-NH1 3.23Å; P717-R827 PolarHBondContact O-NH2 3.32Å |
| 718 | N | 35 | Very low | 46.7 | Very low | 130.333 Ų | 130.333 | 63.3 Ų | 63.3 | 70% | 0.697 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | 14.2 | 172.6 | -70.3 | -14.2 | 0 | 0 | 0 | 113 | Q700 P716 | Q700-N718 PolarHBondContact OE1-O 3.08Å; P716-N718 VanDerWaalsContact C-N 3.29Å; P716-N718 PolarHBondContact O-N 3.38Å |
| 719 | G | 36.5 | Very low | 48.7 | Very low | 20.6667 Ų | 20.6667 | 60.6 Ų | 60.6 | 21% | 0.213 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -96.4 | 137.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P716 P721 | P716-G719 CarbonylContact O-C 3.51Å; P716-G719 PolarHBondContact O-N 2.94Å; P716-G719 VanDerWaalsContact O-N 3.08Å; G719-P721 VanDerWaalsContact O-N 3.07Å |
| 720 | H | 41.2 | Very low | 50.7 | Low | 108 Ų | 108 | 58.6 Ų | 58.6 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 147.3 | 172 | -76.8 | -83.8 | 0 | 0 | 0 | 111.3 | R722 | H720-R722 PolarHBondContact O-N 3.42Š|
| 721 | P | 48.7 | Very low | 52.4 | Low | 88 Ų | 88 | 54.1 Ų | 54.1 | 57% | 0.571 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 135.5 | 168.8 | 23.6 | -33.2 | 0 | 0 | 0 | 110 | Y710 G719 S723 | Y710-P721 HydrophobicContact CE2-CB 4.28Å; Y710-P721 WeakPolarHBondContact OH-CA 3.1Å; G719-P721 VanDerWaalsContact O-N 3.07Å; P721-S723 PolarHBondContact O-N 3.47Å |
| 722 | R | 56.9 | Low | 54.1 | Low | 46.3333 Ų | 46.3333 | 54.2 Ų | 54.2 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 147.1 | 175.3 | -120.4 | -177.4 | -103.1 | -170.8 | -1.7 | 110.3 | L689 S693 H720 Y724 D726 T727 M730 S768 D770 T771 | L689-R722 PolarHBondContact O-NH2 3.49Å; S693-R722 VanDerWaalsContact CB-NE 3.3Å; S693-R722 PolarHBondContact OG-NE 2.84Å; S693-R722 PolarHBondContact OG-NH1 3.4Å; S693-R722 PolarHBondContact OG-NH2 3.35Å; H720-R722 PolarHBondContact O-N 3.42Å; R722-Y724 PolarHBondContact O-N 3.3Å; R722-D726 HydrophobicContact CG-CB 3.78Å; R722-T727 HydrophobicContact CB-CG2 3.85Å; R722-M730 PolarHBondContact NH1-SD 2.85Å; R722-S768 PolarHBondContact NH1-OG 2.81Å; R722-S768 VanDerWaalsContact NH1-OG 3.16Å; R722-S768 VanDerWaalsContact NH2-CB 3.32Å; R722-S768 PolarHBondContact NH2-OG 3.26Å; R722-D770 IonicContact CZ-OD2 2.8Å; R722-D770 IonicContact NH2-OD2 3.29Å; R722-D770 PolarHBondContact NH2-OD2 2.92Å; R722-T771 PolarHBondContact NH1-OG1 3.08Å; R722-T771 VanDerWaalsContact NH1-OG1 3.16Å; R722-T771 PolarHBondContact NH2-OG1 2.95Å |
| 723 | S | 59.5 | Low | 56.2 | Low | 48.6667 Ų | 48.6667 | 51 Ų | 51 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 151.2 | 177.2 | 86.7 | 0 | 0 | 0 | 0 | 110.6 | P721 I725 D726 T727 | P721-S723 PolarHBondContact O-N 3.47Å; S723-I725 PolarHBondContact O-N 3.33Å; S723-I725 VanDerWaalsContact O-N 3.1Å; S723-I725 PolarHBondContact OG-N 3.12Å; S723-D726 VanDerWaalsContact CB-OD2 3.25Å; S723-D726 WeakPolarHBondContact CB-OD2 3.37Å; S723-D726 PolarHBondContact N-OD2 3.03Å; S723-D726 PolarHBondContact O-N 3.3Å; S723-D726 VanDerWaalsContact O-N 3.14Å; S723-D726 PolarHBondContact OG-N 3.23Å; S723-D726 VanDerWaalsContact OG-N 3.14Å; S723-D726 PolarHBondContact OG-OD1 3.17Å; S723-D726 PolarHBondContact OG-OD2 3.12Å; S723-T727 VanDerWaalsContact O-CB 3.22Å; S723-T727 WeakPolarHBondContact O-CB 3.48Å; S723-T727 PolarHBondContact O-N 3.21Å; S723-T727 VanDerWaalsContact O-N 3.17Å; S723-T727 PolarHBondContact O-OG1 3.14Å |
| 724 | Y | 60.2 | Low | 58.1 | Low | 135.333 Ų | 135.333 | 48.8 Ų | 48.8 | 53% | 0.531 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58 | -31.1 | 174.4 | 176.9 | -102.2 | 0 | 0 | 0 | 111.8 | R722 T727 C728 | R722-Y724 PolarHBondContact O-N 3.3Å; Y724-T727 WeakPolarHBondContact CA-OG1 3.39Å; Y724-T727 WeakPolarHBondContact O-CB 3.36Å; Y724-T727 PolarHBondContact O-OG1 2.99Å; Y724-C728 VanDerWaalsContact CE1-SG 3.58Å; Y724-C728 VanDerWaalsContact CZ-SG 3.52Å; Y724-C728 WeakPolarHBondContact O-CB 3.39Å; Y724-C728 PolarHBondContact O-N 3.09Å; Y724-C728 VanDerWaalsContact O-N 3.1Å; Y724-C728 PolarHBondContact O-SG 2.99Å |
| 725 | I | 65.8 | Low | 59.8 | Low | 99.3333 Ų | 99.3333 | 47.6 Ų | 47.6 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.3 | -50.3 | -178.9 | -59.8 | 173.5 | 0 | 0 | 0 | 110.5 | S723 T727 C728 Q729 | S723-I725 PolarHBondContact O-N 3.33Å; S723-I725 VanDerWaalsContact O-N 3.1Å; S723-I725 PolarHBondContact OG-N 3.12Å; I725-T727 VanDerWaalsContact C-N 3.31Å; I725-T727 PolarHBondContact O-N 3.27Å; I725-C728 WeakPolarHBondContact O-CB 3.14Å; I725-C728 PolarHBondContact O-N 3.14Å; I725-C728 VanDerWaalsContact O-N 3.15Å; I725-Q729 HydrophobicContact CG2-CG 4.48Å; I725-Q729 WeakPolarHBondContact O-CG 3.49Å; I725-Q729 PolarHBondContact O-N 3.11Å |
| 726 | D | 69.2 | Low | 61.9 | Low | 52 Ų | 52 | 46.3 Ų | 46.3 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 179.7 | -44.7 | -39 | 0 | 0 | 0 | 110.8 | L689 R722 S723 C728 Q729 M730 | L689-D726 HydrophobicContact CD2-CB 4.23Å; R722-D726 HydrophobicContact CG-CB 3.78Å; S723-D726 VanDerWaalsContact CB-OD2 3.25Å; S723-D726 WeakPolarHBondContact CB-OD2 3.37Å; S723-D726 PolarHBondContact N-OD2 3.03Å; S723-D726 PolarHBondContact O-N 3.3Å; S723-D726 VanDerWaalsContact O-N 3.14Å; S723-D726 PolarHBondContact OG-N 3.23Å; S723-D726 VanDerWaalsContact OG-N 3.14Å; S723-D726 PolarHBondContact OG-OD1 3.17Å; S723-D726 PolarHBondContact OG-OD2 3.12Å; D726-C728 VanDerWaalsContact C-N 3.31Å; D726-C728 PolarHBondContact O-N 3.39Å; D726-Q729 PolarHBondContact O-N 2.94Å; D726-M730 VanDerWaalsContact O-CB 3.3Å; D726-M730 WeakPolarHBondContact O-CB 3.33Å; D726-M730 VanDerWaalsContact O-CG 3.25Å; D726-M730 WeakPolarHBondContact O-CG 3.13Å; D726-M730 PolarHBondContact O-N 3.21Å |
| 727 | T | 65.6 | Low | 64.3 | Low | 49.3333 Ų | 49.3333 | 44.7 Ų | 44.7 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 176.4 | -28.2 | 0 | 0 | 0 | 0 | 111.3 | R722 S723 Y724 I725 S731 | R722-T727 HydrophobicContact CB-CG2 3.85Å; S723-T727 VanDerWaalsContact O-CB 3.22Å; S723-T727 WeakPolarHBondContact O-CB 3.48Å; S723-T727 PolarHBondContact O-N 3.21Å; S723-T727 VanDerWaalsContact O-N 3.17Å; S723-T727 PolarHBondContact O-OG1 3.14Å; Y724-T727 WeakPolarHBondContact CA-OG1 3.39Å; Y724-T727 WeakPolarHBondContact O-CB 3.36Å; Y724-T727 PolarHBondContact O-OG1 2.99Å; I725-T727 VanDerWaalsContact C-N 3.31Å; I725-T727 PolarHBondContact O-N 3.27Å; T727-S731 WeakPolarHBondContact O-CB 3.34Å; T727-S731 PolarHBondContact O-N 3.17Å; T727-S731 VanDerWaalsContact O-N 3.07Å; T727-S731 PolarHBondContact O-OG 3.13Å; T727-S731 VanDerWaalsContact O-OG 3.07Å |
| 728 | C | 67.4 | Low | 66.3 | Low | 16 Ų | 16 | 40.5 Ų | 40.5 | 11% | 0.108 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 174.1 | -100.7 | 0 | 0 | 0 | 0 | 112.5 | Y724 I725 D726 M730 S731 R732 Q1257 | Y724-C728 VanDerWaalsContact CE1-SG 3.58Å; Y724-C728 VanDerWaalsContact CZ-SG 3.52Å; Y724-C728 WeakPolarHBondContact O-CB 3.39Å; Y724-C728 PolarHBondContact O-N 3.09Å; Y724-C728 VanDerWaalsContact O-N 3.1Å; Y724-C728 PolarHBondContact O-SG 2.99Å; I725-C728 WeakPolarHBondContact O-CB 3.14Å; I725-C728 PolarHBondContact O-N 3.14Å; I725-C728 VanDerWaalsContact O-N 3.15Å; D726-C728 VanDerWaalsContact C-N 3.31Å; D726-C728 PolarHBondContact O-N 3.39Å; C728-M730 PolarHBondContact O-N 3.25Å; C728-S731 WeakPolarHBondContact CA-OG 3.2Å; C728-S731 PolarHBondContact O-N 2.96Å; C728-S731 PolarHBondContact O-OG 3.3Å; C728-R732 WeakPolarHBondContact O-CB 3.26Å; C728-R732 VanDerWaalsContact O-CG 3.24Å; C728-R732 WeakPolarHBondContact O-CG 3.27Å; C728-R732 PolarHBondContact O-N 3.16Å; C728-Q1257 PolarHBondContact SG-NE2 3.16Å; C728-Q1257 VanDerWaalsContact SG-NE2 3.41Å; C728-Q1257 PolarHBondContact SG-OE1 3.31Å |
| 729 | Q | 75.6 | Confident | 68.4 | Low | 14.6667 Ų | 14.6667 | 34.3 Ų | 34.3 | 7% | 0.069 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 178.7 | -71.4 | 176.8 | -3.6 | 0 | 0 | 111.9 | M618 F624 L689 I725 D726 S731 R732 L733 | M618-Q729 HydrophobicContact CE-CB 4.39Å; M618-Q729 HydrophobicContact CE-CG 4.48Å; F624-Q729 HydrophobicContact CE1-CB 4.29Å; F624-Q729 HydrophobicContact CE1-CG 4.26Å; L689-Q729 HydrophobicContact CD1-CB 4.16Å; I725-Q729 HydrophobicContact CG2-CG 4.48Å; I725-Q729 WeakPolarHBondContact O-CG 3.49Å; I725-Q729 PolarHBondContact O-N 3.11Å; D726-Q729 PolarHBondContact O-N 2.94Å; Q729-S731 VanDerWaalsContact C-N 3.34Å; Q729-S731 PolarHBondContact O-N 3.03Å; Q729-R732 WeakPolarHBondContact O-CB 3.43Å; Q729-R732 PolarHBondContact O-N 2.99Å; Q729-L733 WeakPolarHBondContact O-CG 3.41Å; Q729-L733 PolarHBondContact O-N 3.42Å |
| 730 | M | 74.4 | Confident | 70.7 | Confident | 3.33333 Ų | 3.33333 | 33.3 Ų | 33.3 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 175.3 | -144.1 | 110.4 | 68.3 | 0 | 0 | 112.1 | L686 L689 R722 D726 C728 R732 L733 T734 T771 L774 | L686-M730 HydrophobicContact CD2-CG 4.28Å; L686-M730 HydrophobicContact CD2-SD 3.37Å; L686-M730 WeakPolarHBondContact CD2-SD 3.34Å; L689-M730 HydrophobicContact CB-CE 3.48Å; L689-M730 VanDerWaalsContact CB-CE 3.4Å; L689-M730 HydrophobicContact CB-CG 4.25Å; L689-M730 HydrophobicContact CB-SD 4.39Å; L689-M730 HydrophobicContact CD1-CE 4.35Å; L689-M730 HydrophobicContact CD1-CG 3.79Å; L689-M730 WeakPolarHBondContact O-CE 3.45Å; R722-M730 PolarHBondContact NH1-SD 2.85Å; D726-M730 VanDerWaalsContact O-CB 3.3Å; D726-M730 WeakPolarHBondContact O-CB 3.33Å; D726-M730 VanDerWaalsContact O-CG 3.25Å; D726-M730 WeakPolarHBondContact O-CG 3.13Å; D726-M730 PolarHBondContact O-N 3.21Å; C728-M730 PolarHBondContact O-N 3.25Å; M730-R732 VanDerWaalsContact C-N 3.34Å; M730-L733 PolarHBondContact O-N 3.17Å; M730-T734 WeakPolarHBondContact O-CB 3.4Å; M730-T734 WeakPolarHBondContact O-CG2 3.28Å; M730-T734 PolarHBondContact O-N 3.02Å; M730-T734 VanDerWaalsContact O-N 3.08Å; M730-T734 PolarHBondContact O-OG1 3.18Å; M730-T771 HydrophobicContact CE-CG2 3.84Å; M730-T771 WeakPolarHBondContact CE-OG1 3.42Å; M730-T771 HydrophobicContact CG-CG2 4.45Å; M730-T771 HydrophobicContact SD-CG2 3.74Å; M730-L774 HydrophobicContact CB-CD1 4.11Å; M730-L774 HydrophobicContact CE-CD1 3.92Å; M730-L774 HydrophobicContact CG-CD1 3.47Å; M730-L774 VanDerWaalsContact CG-CD1 3.47Å; M730-L774 HydrophobicContact SD-CD1 4.45Å |
| 731 | S | 72.5 | Confident | 72.6 | Confident | 5.66667 Ų | 5.66667 | 28.2 Ų | 28.2 | 4% | 0.04 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 174.8 | 150.8 | 0 | 0 | 0 | 0 | 112 | T727 C728 Q729 L733 T734 G735 D1244 G1246 N1249 | T727-S731 WeakPolarHBondContact O-CB 3.34Å; T727-S731 PolarHBondContact O-N 3.17Å; T727-S731 VanDerWaalsContact O-N 3.07Å; T727-S731 PolarHBondContact O-OG 3.13Å; T727-S731 VanDerWaalsContact O-OG 3.07Å; C728-S731 WeakPolarHBondContact CA-OG 3.2Å; C728-S731 PolarHBondContact O-N 2.96Å; C728-S731 PolarHBondContact O-OG 3.3Å; Q729-S731 VanDerWaalsContact C-N 3.34Å; Q729-S731 PolarHBondContact O-N 3.03Å; S731-L733 PolarHBondContact O-N 3.1Å; S731-T734 WeakPolarHBondContact CA-OG1 3.14Å; S731-T734 WeakPolarHBondContact O-CB 3.46Å; S731-T734 PolarHBondContact O-N 3.24Å; S731-T734 PolarHBondContact O-OG1 2.67Å; S731-T734 VanDerWaalsContact O-OG1 3.14Å; S731-G735 PolarHBondContact O-N 3.28Å; S731-D1244 WeakPolarHBondContact CB-O 3.33Å; S731-D1244 PolarHBondContact OG-O 2.85Å; S731-G1246 WeakPolarHBondContact O-CA 3.49Å; S731-N1249 PolarHBondContact OG-ND2 3.42Å |
| 732 | R | 74.7 | Confident | 74 | Confident | 26.3333 Ų | 26.3333 | 24.7 Ų | 24.7 | 10% | 0.099 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | 174.4 | -77.4 | -176.7 | 175.8 | 141.3 | 9.6 | 112.9 | N625 V628 C728 Q729 M730 T734 G735 L736 N1249 C1250 H1252 | N625-R732 PolarHBondContact ND2-NH1 3.42Å; N625-R732 VanDerWaalsContact ND2-NH1 3.17Å; N625-R732 PolarHBondContact OD1-NH1 3.16Å; V628-R732 HydrophobicContact CG1-CB 4.23Å; C728-R732 WeakPolarHBondContact O-CB 3.26Å; C728-R732 VanDerWaalsContact O-CG 3.24Å; C728-R732 WeakPolarHBondContact O-CG 3.27Å; C728-R732 PolarHBondContact O-N 3.16Å; Q729-R732 WeakPolarHBondContact O-CB 3.43Å; Q729-R732 PolarHBondContact O-N 2.99Å; M730-R732 VanDerWaalsContact C-N 3.34Å; R732-T734 VanDerWaalsContact C-N 3.32Å; R732-T734 PolarHBondContact O-N 3.23Å; R732-G735 PolarHBondContact O-N 3.14Å; R732-L736 WeakPolarHBondContact O-CB 3.25Å; R732-L736 PolarHBondContact O-N 3Å; R732-N1249 HydrophobicContact CG-CB 4.23Å; R732-C1250 WeakPolarHBondContact O-CB 3.2Å; R732-C1250 PolarHBondContact O-SG 3.35Å; R732-C1250 VanDerWaalsContact O-SG 3.41Å; R732-H1252 PolarHBondContact NE-O 2.99Å; R732-H1252 VanDerWaalsContact NE-O 3.11Å; R732-H1252 PolarHBondContact NH2-O 3.04Å |
| 733 | L | 83.8 | Confident | 75 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 177.7 | -75.5 | -179.1 | 0 | 0 | 0 | 112 | F624 V628 I682 L686 L689 Q729 M730 S731 L736 C737 | F624-L733 HydrophobicContact CE2-CD2 3.94Å; F624-L733 HydrophobicContact CE2-CG 4.43Å; F624-L733 HydrophobicContact CZ-CD1 4.11Å; F624-L733 HydrophobicContact CZ-CD2 3.54Å; F624-L733 VanDerWaalsContact CZ-CD2 3.47Å; F624-L733 HydrophobicContact CZ-CG 3.84Å; V628-L733 HydrophobicContact CG2-CD2 4.3Å; I682-L733 HydrophobicContact CG1-CD2 4.21Å; I682-L733 HydrophobicContact CG2-CB 4.18Å; I682-L733 HydrophobicContact CG2-CD2 3.99Å; I682-L733 HydrophobicContact CG2-CG 4.49Å; L686-L733 HydrophobicContact CD1-CB 4.49Å; L686-L733 HydrophobicContact CD2-CB 3.79Å; L686-L733 HydrophobicContact CD2-CD1 3.97Å; L686-L733 HydrophobicContact CG-CB 4.19Å; L686-L733 HydrophobicContact CG-CD1 4.03Å; L689-L733 HydrophobicContact CD1-CD1 4.27Å; Q729-L733 WeakPolarHBondContact O-CG 3.41Å; Q729-L733 PolarHBondContact O-N 3.42Å; M730-L733 PolarHBondContact O-N 3.17Å; S731-L733 PolarHBondContact O-N 3.1Å; L733-L736 WeakPolarHBondContact O-CB 3.32Å; L733-L736 PolarHBondContact O-N 3.1Å; L733-C737 PolarHBondContact O-N 3.08Å; L733-C737 PolarHBondContact O-SG 3.06Å; L733-C737 VanDerWaalsContact O-SG 3.33Å |
| 734 | T | 79.9 | Confident | 76 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.2 | -39.6 | 176.3 | 24.6 | 0 | 0 | 0 | 0 | 111.7 | L686 M730 S731 R732 L736 C737 V738 L774 Y777 Q778 | L686-T734 HydrophobicContact CD1-CG2 4.35Å; L686-T734 HydrophobicContact CD2-CG2 4.02Å; M730-T734 WeakPolarHBondContact O-CB 3.4Å; M730-T734 WeakPolarHBondContact O-CG2 3.28Å; M730-T734 PolarHBondContact O-N 3.02Å; M730-T734 VanDerWaalsContact O-N 3.08Å; M730-T734 PolarHBondContact O-OG1 3.18Å; S731-T734 WeakPolarHBondContact CA-OG1 3.14Å; S731-T734 WeakPolarHBondContact O-CB 3.46Å; S731-T734 PolarHBondContact O-N 3.24Å; S731-T734 PolarHBondContact O-OG1 2.67Å; S731-T734 VanDerWaalsContact O-OG1 3.14Å; R732-T734 VanDerWaalsContact C-N 3.32Å; R732-T734 PolarHBondContact O-N 3.23Å; T734-L736 VanDerWaalsContact C-N 3.3Å; T734-L736 PolarHBondContact O-N 3.1Å; T734-C737 WeakPolarHBondContact O-CB 3.37Å; T734-C737 PolarHBondContact O-N 3.04Å; T734-C737 VanDerWaalsContact O-N 3.13Å; T734-V738 WeakPolarHBondContact O-CG2 3.3Å; T734-V738 PolarHBondContact O-N 3.25Å; T734-L774 HydrophobicContact CG2-CB 3.87Å; T734-L774 HydrophobicContact CG2-CD1 4.34Å; T734-L774 HydrophobicContact CG2-CD2 3.92Å; T734-Y777 HydrophobicContact CG2-CD1 4.07Å; T734-Q778 HydrophobicContact CG2-CG 3.69Å; T734-Q778 PolarHBondContact OG1-NE2 3.37Å |
| 735 | G | 76.2 | Confident | 76.7 | Confident | 2.66667 Ų | 2.66667 | 14.1 Ų | 14.1 | 3% | 0.027 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.7 | -37.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S731 R732 V738 A739 G1246 | S731-G735 PolarHBondContact O-N 3.28Å; R732-G735 PolarHBondContact O-N 3.14Å; G735-V738 WeakPolarHBondContact O-CB 3.45Å; G735-V738 PolarHBondContact O-N 3.29Å; G735-A739 PolarHBondContact O-N 3.22Å; G735-G1246 WeakPolarHBondContact CA-O 3.25Å |
| 736 | L | 83.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.9 | -42.1 | 173.6 | 179.9 | 62 | 0 | 0 | 0 | 112 | V628 L631 S632 F635 I682 R732 L733 T734 V738 A739 L740 C1250 | V628-L736 HydrophobicContact CB-CD2 4.5Å; V628-L736 HydrophobicContact CG1-CB 4.24Å; V628-L736 HydrophobicContact CG1-CD2 4.31Å; V628-L736 HydrophobicContact CG2-CD2 4.21Å; L631-L736 HydrophobicContact CB-CD1 3.61Å; L631-L736 VanDerWaalsContact CB-CD1 3.49Å; L631-L736 HydrophobicContact CB-CD2 4.33Å; L631-L736 HydrophobicContact CD1-CD2 4.27Å; S632-L736 VanDerWaalsContact N-CD1 3.34Å; F635-L736 HydrophobicContact CD2-CD1 3.68Å; F635-L736 HydrophobicContact CD2-CG 4.37Å; F635-L736 HydrophobicContact CE2-CD1 3.83Å; F635-L736 HydrophobicContact CE2-CG 4.26Å; I682-L736 HydrophobicContact CD1-CD2 3.55Å; I682-L736 VanDerWaalsContact CD1-CD2 3.47Å; I682-L736 HydrophobicContact CD1-CG 4.05Å; I682-L736 HydrophobicContact CG1-CD2 4.24Å; R732-L736 WeakPolarHBondContact O-CB 3.25Å; R732-L736 PolarHBondContact O-N 3Å; L733-L736 WeakPolarHBondContact O-CB 3.32Å; L733-L736 PolarHBondContact O-N 3.1Å; T734-L736 VanDerWaalsContact C-N 3.3Å; T734-L736 PolarHBondContact O-N 3.1Å; L736-V738 VanDerWaalsContact C-N 3.29Å; L736-V738 PolarHBondContact O-N 2.96Å; L736-A739 WeakPolarHBondContact O-CB 3.28Å; L736-A739 PolarHBondContact O-N 3.23Å; L736-L740 WeakPolarHBondContact O-CB 3.32Å; L736-L740 PolarHBondContact O-N 3.26Å; L736-C1250 HydrophobicContact CB-CB 4.22Å; L736-C1250 PolarHBondContact N-SG 3.21Å |
| 737 | C | 85.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.6 | -33.9 | 173.5 | -66.3 | 0 | 0 | 0 | 0 | 112.6 | Y679 I682 L733 T734 L740 G741 Q778 | Y679-C737 HydrophobicContact CE2-CB 4.3Å; I682-C737 VanDerWaalsContact CG2-SG 3.56Å; I682-C737 WeakPolarHBondContact CG2-SG 3.36Å; L733-C737 PolarHBondContact O-N 3.08Å; L733-C737 PolarHBondContact O-SG 3.06Å; L733-C737 VanDerWaalsContact O-SG 3.33Å; T734-C737 WeakPolarHBondContact O-CB 3.37Å; T734-C737 PolarHBondContact O-N 3.04Å; T734-C737 VanDerWaalsContact O-N 3.13Å; C737-L740 WeakPolarHBondContact O-CB 3.47Å; C737-L740 PolarHBondContact O-N 3.24Å; C737-G741 PolarHBondContact O-N 3.34Å; C737-Q778 HydrophobicContact CB-CB 4.38Å; C737-Q778 VanDerWaalsContact CB-CD 3.42Å; C737-Q778 HydrophobicContact CB-CG 3.7Å; C737-Q778 PolarHBondContact SG-OE1 3.03Å; C737-Q778 VanDerWaalsContact SG-OE1 3.34Å |
| 738 | V | 79.8 | Confident | 77.7 | Confident | 1 Ų | 1 | 7.6 Ų | 7.6 | 1% | 0.006 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67.9 | -43.2 | 173.7 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | T734 G735 L736 L740 G741 L742 Y777 W781 L1240 A1247 | T734-V738 WeakPolarHBondContact O-CG2 3.3Å; T734-V738 PolarHBondContact O-N 3.25Å; G735-V738 WeakPolarHBondContact O-CB 3.45Å; G735-V738 PolarHBondContact O-N 3.29Å; L736-V738 VanDerWaalsContact C-N 3.29Å; L736-V738 PolarHBondContact O-N 2.96Å; V738-L740 VanDerWaalsContact C-N 3.3Å; V738-L740 PolarHBondContact O-N 3.36Å; V738-G741 WeakPolarHBondContact O-CA 3.45Å; V738-G741 PolarHBondContact O-N 3.23Å; V738-G741 VanDerWaalsContact O-N 3.14Å; V738-L742 HydrophobicContact CG1-CD1 4.37Å; V738-L742 WeakPolarHBondContact O-CG 3.37Å; V738-L742 PolarHBondContact O-N 2.95Å; V738-L742 VanDerWaalsContact O-N 3.1Å; V738-Y777 HydrophobicContact CG1-CE1 4.44Å; V738-Y777 HydrophobicContact CG2-CD1 3.82Å; V738-Y777 HydrophobicContact CG2-CE1 3.77Å; V738-W781 HydrophobicContact CB-CB 4.39Å; V738-W781 HydrophobicContact CB-CG 4.32Å; V738-W781 HydrophobicContact CG1-CB 4Å; V738-W781 HydrophobicContact CG1-CD2 4.07Å; V738-W781 HydrophobicContact CG1-CE3 4.49Å; V738-W781 HydrophobicContact CG1-CG 3.63Å; V738-W781 HydrophobicContact CG2-CB 4.15Å; V738-W781 HydrophobicContact CG2-CG 4.11Å; V738-L1240 HydrophobicContact CB-CD2 4.3Å; V738-L1240 HydrophobicContact CG1-CD1 4.29Å; V738-L1240 HydrophobicContact CG1-CD2 3.53Å; V738-L1240 HydrophobicContact CG2-CD2 4.34Å; V738-A1247 HydrophobicContact CG1-CB 4.43Å |
| 739 | A | 79.3 | Confident | 78.4 | Confident | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59 | -41.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F635 L636 G735 L736 G741 L742 S743 A1247 | F635-A739 HydrophobicContact CB-CB 3.87Å; F635-A739 WeakPolarHBondContact CB-O 3.28Å; L636-A739 HydrophobicContact CD2-CB 4.1Å; L636-A739 HydrophobicContact CG-CB 3.91Å; G735-A739 PolarHBondContact O-N 3.22Å; L736-A739 WeakPolarHBondContact O-CB 3.28Å; L736-A739 PolarHBondContact O-N 3.23Å; A739-G741 VanDerWaalsContact C-N 3.32Å; A739-G741 PolarHBondContact O-N 2.97Å; A739-L742 WeakPolarHBondContact O-CB 3.29Å; A739-L742 PolarHBondContact O-N 3.31Å; A739-L742 VanDerWaalsContact O-N 3.12Å; A739-S743 PolarHBondContact O-N 2.99Å; A739-A1247 HydrophobicContact CB-CB 4.25Å |
| 740 | L | 85.7 | Confident | 78.7 | Confident | 0.666667 Ų | 0.666667 | 12.5 Ų | 12.5 | 0% | 0.003 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 173.9 | -174.5 | 127.8 | 0 | 0 | 0 | 112.2 | F635 I640 V675 Y679 L736 C737 V738 L742 S743 T744 L754 L782 | F635-L740 HydrophobicContact CD2-CB 3.84Å; F635-L740 HydrophobicContact CD2-CD1 4.3Å; F635-L740 HydrophobicContact CD2-CG 4.44Å; F635-L740 HydrophobicContact CE1-CD1 4.42Å; F635-L740 HydrophobicContact CE2-CB 4.09Å; F635-L740 HydrophobicContact CE2-CD1 3.95Å; F635-L740 HydrophobicContact CE2-CG 4.31Å; F635-L740 HydrophobicContact CG-CB 4.37Å; F635-L740 HydrophobicContact CZ-CD1 4.1Å; F635-L740 HydrophobicContact CZ-CG 4.48Å; I640-L740 HydrophobicContact CD1-CD1 3.7Å; V675-L740 HydrophobicContact CG1-CD1 3.72Å; V675-L740 HydrophobicContact CG1-CD2 4.13Å; V675-L740 HydrophobicContact CG1-CG 4.17Å; Y679-L740 HydrophobicContact CD2-CD1 4.29Å; Y679-L740 HydrophobicContact CD2-CD2 3.89Å; Y679-L740 HydrophobicContact CE2-CD2 4.04Å; Y679-L740 HydrophobicContact CG-CD2 3.88Å; L736-L740 WeakPolarHBondContact O-CB 3.32Å; L736-L740 PolarHBondContact O-N 3.26Å; C737-L740 WeakPolarHBondContact O-CB 3.47Å; C737-L740 PolarHBondContact O-N 3.24Å; V738-L740 VanDerWaalsContact C-N 3.3Å; V738-L740 PolarHBondContact O-N 3.36Å; L740-L742 VanDerWaalsContact C-N 3.3Å; L740-L742 PolarHBondContact O-N 3.19Å; L740-S743 WeakPolarHBondContact CA-OG 3.41Å; L740-S743 PolarHBondContact O-N 3.29Å; L740-S743 PolarHBondContact O-OG 3.29Å; L740-T744 HydrophobicContact CD1-CG2 3.99Å; L740-T744 HydrophobicContact CD2-CG2 4.2Å; L740-T744 HydrophobicContact CG-CG2 4.48Å; L740-T744 WeakPolarHBondContact O-CG2 3.35Å; L740-T744 PolarHBondContact O-N 3.29Å; L740-T744 VanDerWaalsContact O-N 3.13Å; L740-T744 PolarHBondContact O-OG1 3.06Å; L740-L754 HydrophobicContact CD2-CD1 3.75Å; L740-L754 HydrophobicContact CD2-CD2 4.3Å; L740-L754 HydrophobicContact CG-CD1 4.24Å; L740-L782 HydrophobicContact CD2-CD2 4.19Å |
| 741 | G | 80.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.2 | -36.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C737 V738 A739 T744 R751 | C737-G741 PolarHBondContact O-N 3.34Å; V738-G741 WeakPolarHBondContact O-CA 3.45Å; V738-G741 PolarHBondContact O-N 3.23Å; V738-G741 VanDerWaalsContact O-N 3.14Å; A739-G741 VanDerWaalsContact C-N 3.32Å; A739-G741 PolarHBondContact O-N 2.97Å; G741-T744 PolarHBondContact O-OG1 3.07Å; G741-R751 PolarHBondContact O-NH2 3.21Å |
| 742 | L | 77.3 | Confident | 79.9 | Confident | 14.3333 Ų | 14.3333 | 13 Ų | 13 | 8% | 0.075 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -71.1 | -44.5 | 174.2 | -65.4 | 171.4 | 0 | 0 | 0 | 112.3 | L636 V738 A739 L740 T744 S745 W781 L934 L935 L1240 I1306 | L636-L742 HydrophobicContact CD2-CD1 3.78Å; V738-L742 HydrophobicContact CG1-CD1 4.37Å; V738-L742 WeakPolarHBondContact O-CG 3.37Å; V738-L742 PolarHBondContact O-N 2.95Å; V738-L742 VanDerWaalsContact O-N 3.1Å; A739-L742 WeakPolarHBondContact O-CB 3.29Å; A739-L742 PolarHBondContact O-N 3.31Å; A739-L742 VanDerWaalsContact O-N 3.12Å; L740-L742 VanDerWaalsContact C-N 3.3Å; L740-L742 PolarHBondContact O-N 3.19Å; L742-T744 VanDerWaalsContact C-N 3.27Å; L742-T744 PolarHBondContact O-N 3.09Å; L742-S745 VanDerWaalsContact O-CB 3.25Å; L742-S745 WeakPolarHBondContact O-CB 3.39Å; L742-S745 PolarHBondContact O-N 2.93Å; L742-S745 PolarHBondContact O-OG 3Å; L742-W781 HydrophobicContact CD2-CE3 3.79Å; L742-W781 HydrophobicContact CD2-CZ3 3.85Å; L742-W781 HydrophobicContact CG-CE3 4.41Å; L742-L934 HydrophobicContact CD2-CD1 3.79Å; L742-L935 WeakPolarHBondContact O-CD1 3.29Å; L742-L1240 HydrophobicContact CD1-CD1 4.32Å; L742-L1240 HydrophobicContact CD1-CD2 4.48Å; L742-I1306 HydrophobicContact CD1-CD1 3.83Å; L742-I1306 HydrophobicContact CD1-CG1 4.47Å |
| 743 | S | 78.4 | Confident | 80.6 | Confident | 0.333333 Ų | 0.333333 | 16.2 Ų | 16.2 | 0% | 0.002 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.1 | -28.9 | 179.1 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | F635 T638 P639 I640 A739 L740 S745 S746 | F635-S743 WeakPolarHBondContact O-CB 3.4Å; T638-S743 WeakPolarHBondContact O-CA 3.39Å; T638-S743 VanDerWaalsContact O-CB 3.23Å; T638-S743 WeakPolarHBondContact O-CB 3.26Å; P639-S743 WeakPolarHBondContact CA-O 3.47Å; I640-S743 VanDerWaalsContact CD1-OG 3.29Å; I640-S743 WeakPolarHBondContact CD1-OG 3.48Å; I640-S743 PolarHBondContact N-O 3.11Å; A739-S743 PolarHBondContact O-N 2.99Å; L740-S743 WeakPolarHBondContact CA-OG 3.41Å; L740-S743 PolarHBondContact O-N 3.29Å; L740-S743 PolarHBondContact O-OG 3.29Å; S743-S745 VanDerWaalsContact C-N 3.29Å; S743-S745 PolarHBondContact O-N 2.81Å; S743-S746 PolarHBondContact O-OG 2.97Å |
| 744 | T | 80.9 | Confident | 81 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 6.2 | -178.2 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | I640 L740 G741 L742 S746 N747 L750 R751 L754 | I640-T744 HydrophobicContact CB-CG2 4.28Å; I640-T744 HydrophobicContact CD1-CG2 4.04Å; L740-T744 HydrophobicContact CD1-CG2 3.99Å; L740-T744 HydrophobicContact CD2-CG2 4.2Å; L740-T744 HydrophobicContact CG-CG2 4.48Å; L740-T744 WeakPolarHBondContact O-CG2 3.35Å; L740-T744 PolarHBondContact O-N 3.29Å; L740-T744 VanDerWaalsContact O-N 3.13Å; L740-T744 PolarHBondContact O-OG1 3.06Å; G741-T744 PolarHBondContact O-OG1 3.07Å; L742-T744 VanDerWaalsContact C-N 3.27Å; L742-T744 PolarHBondContact O-N 3.09Å; T744-S746 PolarHBondContact O-N 3.12Å; T744-S746 VanDerWaalsContact O-N 3.13Å; T744-N747 CarbonylContact O-C 3.58Å; T744-N747 PolarHBondContact O-N 3.23Å; T744-L750 HydrophobicContact CG2-CD2 3.7Å; T744-L750 HydrophobicContact CG2-CG 4.2Å; T744-R751 VanDerWaalsContact O-CD 3.29Å; T744-R751 WeakPolarHBondContact O-CD 3.45Å; T744-R751 PolarHBondContact O-NE 2.86Å; T744-R751 VanDerWaalsContact O-NE 3.08Å; T744-R751 WeakPolarHBondContact OG1-CG 3.32Å; T744-R751 PolarHBondContact OG1-NE 2.85Å; T744-L754 HydrophobicContact CG2-CD1 3.98Å |
| 745 | S | 74.5 | Confident | 81.5 | Confident | 8 Ų | 8 | 16.1 Ų | 16.1 | 6% | 0.056 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -35 | 178.5 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | L742 S743 N747 R751 S786 N933 | L742-S745 VanDerWaalsContact O-CB 3.25Å; L742-S745 WeakPolarHBondContact O-CB 3.39Å; L742-S745 PolarHBondContact O-N 2.93Å; L742-S745 PolarHBondContact O-OG 3Å; S743-S745 VanDerWaalsContact C-N 3.29Å; S743-S745 PolarHBondContact O-N 2.81Å; S745-N747 VanDerWaalsContact C-N 3.3Å; S745-N747 PolarHBondContact O-N 2.97Å; S745-R751 VanDerWaalsContact CB-NH2 3.3Å; S745-S786 WeakPolarHBondContact CA-OG 3.22Å; S745-S786 VanDerWaalsContact CB-OG 3.26Å; S745-S786 WeakPolarHBondContact CB-OG 3.27Å; S745-S786 PolarHBondContact O-OG 2.98Å; S745-N933 VanDerWaalsContact CB-OD1 3.25Å; S745-N933 WeakPolarHBondContact CB-OD1 3.28Å; S745-N933 VanDerWaalsContact OG-CG 3.23Å; S745-N933 PolarHBondContact OG-ND2 3.02Å; S745-N933 PolarHBondContact OG-OD1 3.15Å |
| 746 | S | 70.2 | Confident | 82.2 | Confident | 25.6667 Ų | 25.6667 | 21.1 Ų | 21.1 | 18% | 0.179 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -15.6 | 178.5 | -18.5 | 0 | 0 | 0 | 0 | 113.6 | I640 W641 S743 T744 P748 N933 D936 | I640-S746 PolarHBondContact O-OG 3.11Å; W641-S746 VanDerWaalsContact CD1-OG 3.23Å; W641-S746 WeakPolarHBondContact CZ2-O 3.42Å; W641-S746 PolarHBondContact NE1-O 3.48Å; S743-S746 PolarHBondContact O-OG 2.97Å; T744-S746 PolarHBondContact O-N 3.12Å; T744-S746 VanDerWaalsContact O-N 3.13Å; S746-P748 WeakPolarHBondContact O-CD 3.37Å; S746-N933 PolarHBondContact OG-ND2 3Å; S746-N933 VanDerWaalsContact OG-ND2 3.13Å; S746-D936 WeakPolarHBondContact CB-OD2 3.44Å; S746-D936 PolarHBondContact OG-OD1 3.17Å |
| 747 | N | 76.2 | Confident | 82.6 | Confident | 6.66667 Ų | 6.66667 | 22.3 Ų | 22.3 | 4% | 0.036 | 11% | 0.107 | C | C | . | . | trans | -122.4 | 91.7 | -171.4 | -170.5 | -18 | 0 | 0 | 0 | 112.5 | I640 E672 T744 S745 Q749 L750 R751 | I640-N747 WeakPolarHBondContact O-CB 3.35Å; I640-N747 PolarHBondContact O-ND2 3.44Å; E672-N747 PolarHBondContact OE1-ND2 2.9Å; E672-N747 PolarHBondContact OE2-ND2 3.14Å; T744-N747 CarbonylContact O-C 3.58Å; T744-N747 PolarHBondContact O-N 3.23Å; S745-N747 VanDerWaalsContact C-N 3.3Å; S745-N747 PolarHBondContact O-N 2.97Å; N747-Q749 VanDerWaalsContact C-N 3.29Å; N747-Q749 PolarHBondContact O-N 3.15Å; N747-Q749 PolarHBondContact OD1-N 3.01Å; N747-Q749 VanDerWaalsContact OD1-N 3.07Å; N747-L750 HydrophobicContact CB-CB 4.21Å; N747-L750 VanDerWaalsContact CG-CB 3.5Å; N747-L750 WeakPolarHBondContact ND2-CB 3.46Å; N747-L750 PolarHBondContact O-N 2.62Å; N747-L750 PolarHBondContact OD1-N 3.01Å; N747-R751 WeakPolarHBondContact O-CB 3.48Å; N747-R751 WeakPolarHBondContact O-CG 3.47Å; N747-R751 PolarHBondContact O-N 3.08Å; N747-R751 VanDerWaalsContact O-N 3.17Å | ||
| 748 | P | 75.5 | Confident | 82.9 | Confident | 31 Ų | 31 | 22.4 Ų | 22.4 | 20% | 0.201 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.1 | -26.2 | 179.8 | 27.5 | -34 | 0 | 0 | 0 | 113.1 | S746 R751 C752 P797 | S746-P748 WeakPolarHBondContact O-CD 3.37Å; P748-R751 PolarHBondContact O-N 3.47Å; P748-C752 WeakPolarHBondContact O-CB 3.3Å; P748-C752 PolarHBondContact O-N 3.19Å; P748-C752 PolarHBondContact O-SG 3.32Å; P748-P797 HydrophobicContact CB-CG 4.37Å |
| 749 | Q | 80.8 | Confident | 83.5 | Confident | 134.667 Ų | 134.667 | 22.3 Ų | 22.3 | 63% | 0.629 | 11% | 0.107 | S | C | * | . | H | α-helix | trans | -72.7 | -48.2 | -178.8 | -62.5 | -170.8 | 14.5 | 0 | 0 | 111.4 | N747 R751 C752 R753 | N747-Q749 VanDerWaalsContact C-N 3.29Å; N747-Q749 PolarHBondContact O-N 3.15Å; N747-Q749 PolarHBondContact OD1-N 3.01Å; N747-Q749 VanDerWaalsContact OD1-N 3.07Å; Q749-R751 VanDerWaalsContact C-N 3.31Å; Q749-R751 PolarHBondContact O-N 3.06Å; Q749-C752 WeakPolarHBondContact O-CB 3.25Å; Q749-C752 PolarHBondContact O-N 3.12Å; Q749-C752 VanDerWaalsContact O-N 3.13Å; Q749-R753 PolarHBondContact O-N 2.88Å |
| 750 | L | 83.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 173.2 | 178.3 | 58.5 | 0 | 0 | 0 | 110.8 | I640 E672 V675 T744 N747 C752 R753 L754 | I640-L750 HydrophobicContact CB-CD2 4.41Å; I640-L750 HydrophobicContact CG2-CD2 3.58Å; E672-L750 HydrophobicContact CB-CD1 4.25Å; E672-L750 HydrophobicContact CB-CD2 4.34Å; E672-L750 HydrophobicContact CG-CD2 4.15Å; V675-L750 HydrophobicContact CG1-CD2 4.44Å; T744-L750 HydrophobicContact CG2-CD2 3.7Å; T744-L750 HydrophobicContact CG2-CG 4.2Å; N747-L750 HydrophobicContact CB-CB 4.21Å; N747-L750 VanDerWaalsContact CG-CB 3.5Å; N747-L750 WeakPolarHBondContact ND2-CB 3.46Å; N747-L750 PolarHBondContact O-N 2.62Å; N747-L750 PolarHBondContact OD1-N 3.01Å; L750-C752 VanDerWaalsContact C-N 3.3Å; L750-C752 PolarHBondContact O-N 3.23Å; L750-R753 WeakPolarHBondContact O-CA 3.46Å; L750-R753 WeakPolarHBondContact O-CB 3.36Å; L750-R753 PolarHBondContact O-N 3.1Å; L750-R753 VanDerWaalsContact O-N 3.1Å; L750-L754 HydrophobicContact CD1-CD1 4.28Å; L750-L754 HydrophobicContact CD1-CD2 4.36Å; L750-L754 HydrophobicContact CD1-CG 4.12Å; L750-L754 HydrophobicContact CG-CD1 3.97Å; L750-L754 HydrophobicContact CG-CG 4.3Å; L750-L754 VanDerWaalsContact O-CG 3.28Å; L750-L754 WeakPolarHBondContact O-CG 3.44Å; L750-L754 PolarHBondContact O-N 2.99Å |
| 751 | R | 86 | Confident | 84.3 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.7 | -48.3 | 172.1 | -78 | 178.1 | 160.3 | -161.1 | -6.8 | 111.9 | G741 T744 S745 N747 P748 Q749 R753 L754 I755 I784 P797 | G741-R751 PolarHBondContact O-NH2 3.21Å; T744-R751 VanDerWaalsContact O-CD 3.29Å; T744-R751 WeakPolarHBondContact O-CD 3.45Å; T744-R751 PolarHBondContact O-NE 2.86Å; T744-R751 VanDerWaalsContact O-NE 3.08Å; T744-R751 WeakPolarHBondContact OG1-CG 3.32Å; T744-R751 PolarHBondContact OG1-NE 2.85Å; S745-R751 VanDerWaalsContact CB-NH2 3.3Å; N747-R751 WeakPolarHBondContact O-CB 3.48Å; N747-R751 WeakPolarHBondContact O-CG 3.47Å; N747-R751 PolarHBondContact O-N 3.08Å; N747-R751 VanDerWaalsContact O-N 3.17Å; P748-R751 PolarHBondContact O-N 3.47Å; Q749-R751 VanDerWaalsContact C-N 3.31Å; Q749-R751 PolarHBondContact O-N 3.06Å; R751-R753 VanDerWaalsContact C-N 3.3Å; R751-R753 PolarHBondContact O-N 2.98Å; R751-L754 PolarHBondContact O-N 2.85Å; R751-L754 VanDerWaalsContact O-N 3.14Å; R751-I755 HydrophobicContact CB-CD1 4.26Å; R751-I755 VanDerWaalsContact O-CB 3.28Å; R751-I755 WeakPolarHBondContact O-CB 3.3Å; R751-I755 WeakPolarHBondContact O-CD1 3.37Å; R751-I755 WeakPolarHBondContact O-CG1 3.46Å; R751-I755 PolarHBondContact O-N 3.29Å; R751-I784 PolarHBondContact NH1-O 3.27Å; R751-P797 HydrophobicContact CB-CB 4.48Å |
| 752 | C | 85.9 | Confident | 84.7 | Confident | 12 Ų | 12 | 28.7 Ų | 28.7 | 8% | 0.081 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.9 | -34.5 | 176.6 | -71.6 | 0 | 0 | 0 | 0 | 113.4 | P748 Q749 L750 K756 Y800 | P748-C752 WeakPolarHBondContact O-CB 3.3Å; P748-C752 PolarHBondContact O-N 3.19Å; P748-C752 PolarHBondContact O-SG 3.32Å; Q749-C752 WeakPolarHBondContact O-CB 3.25Å; Q749-C752 PolarHBondContact O-N 3.12Å; Q749-C752 VanDerWaalsContact O-N 3.13Å; L750-C752 VanDerWaalsContact C-N 3.3Å; L750-C752 PolarHBondContact O-N 3.23Å; C752-K756 WeakPolarHBondContact O-CB 3.33Å; C752-K756 PolarHBondContact O-N 3.42Å; C752-K756 VanDerWaalsContact O-N 3.15Å; C752-Y800 HydrophobicContact CB-CD1 4.03Å; C752-Y800 HydrophobicContact CB-CE1 3.71Å; C752-Y800 WeakPolarHBondContact O-CE1 3.42Å; C752-Y800 VanDerWaalsContact SG-CD1 3.5Å; C752-Y800 WeakPolarHBondContact SG-CD1 3.27Å |
| 753 | R | 88.9 | Confident | 85.3 | Confident | 92.6667 Ų | 92.6667 | 30.8 Ų | 30.8 | 35% | 0.35 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.2 | -50.2 | 172.1 | -67.2 | 173.6 | 62.7 | -179.4 | 1.2 | 111.6 | E672 D673 F676 Q749 L750 R751 I755 K756 L757 | E672-R753 IonicContact OE2-NH1 3.4Å; D673-R753 IonicContact OD1-CZ 3.29Å; D673-R753 VanDerWaalsContact OD1-CZ 3.22Å; D673-R753 IonicContact OD1-NH1 3.43Å; D673-R753 PolarHBondContact OD1-NH1 2.9Å; D673-R753 IonicContact OD1-NH2 3.63Å; D673-R753 PolarHBondContact OD1-NH2 3.07Å; F676-R753 HydrophobicContact CD2-CB 4.21Å; F676-R753 HydrophobicContact CE2-CB 4.11Å; Q749-R753 PolarHBondContact O-N 2.88Å; L750-R753 WeakPolarHBondContact O-CA 3.46Å; L750-R753 WeakPolarHBondContact O-CB 3.36Å; L750-R753 PolarHBondContact O-N 3.1Å; L750-R753 VanDerWaalsContact O-N 3.1Å; R751-R753 VanDerWaalsContact C-N 3.3Å; R751-R753 PolarHBondContact O-N 2.98Å; R753-I755 PolarHBondContact O-N 3.1Å; R753-K756 PolarHBondContact O-N 3.32Å; R753-L757 PolarHBondContact O-N 3.23Å; R753-L757 VanDerWaalsContact O-N 3.09Å |
| 754 | L | 91.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 179.9 | -62.1 | 168.4 | 0 | 0 | 0 | 111.7 | F676 Y679 L740 T744 L750 R751 K756 L757 L758 L782 | F676-L754 HydrophobicContact CD2-CD2 4.1Å; Y679-L754 HydrophobicContact CD1-CB 4.19Å; Y679-L754 HydrophobicContact CD1-CD2 3.38Å; Y679-L754 VanDerWaalsContact CD1-CD2 3.48Å; Y679-L754 HydrophobicContact CD1-CG 4.36Å; Y679-L754 HydrophobicContact CE1-CB 4.04Å; Y679-L754 HydrophobicContact CE1-CD2 4.11Å; Y679-L754 WeakPolarHBondContact CE1-O 3.4Å; Y679-L754 HydrophobicContact CG-CD2 3.71Å; L740-L754 HydrophobicContact CD2-CD1 3.75Å; L740-L754 HydrophobicContact CD2-CD2 4.3Å; L740-L754 HydrophobicContact CG-CD1 4.24Å; T744-L754 HydrophobicContact CG2-CD1 3.98Å; L750-L754 HydrophobicContact CD1-CD1 4.28Å; L750-L754 HydrophobicContact CD1-CD2 4.36Å; L750-L754 HydrophobicContact CD1-CG 4.12Å; L750-L754 HydrophobicContact CG-CD1 3.97Å; L750-L754 HydrophobicContact CG-CG 4.3Å; L750-L754 VanDerWaalsContact O-CG 3.28Å; L750-L754 WeakPolarHBondContact O-CG 3.44Å; L750-L754 PolarHBondContact O-N 2.99Å; R751-L754 PolarHBondContact O-N 2.85Å; R751-L754 VanDerWaalsContact O-N 3.14Å; L754-K756 VanDerWaalsContact C-N 3.32Å; L754-K756 PolarHBondContact O-N 3.34Å; L754-L757 PolarHBondContact O-N 3.04Å; L754-L758 WeakPolarHBondContact O-CB 3.28Å; L754-L758 PolarHBondContact O-N 2.89Å; L754-L782 HydrophobicContact CD1-CD2 4.36Å |
| 755 | I | 90.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.5 | -72.3 | 165.4 | 0 | 0 | 0 | 110.8 | R751 R753 L758 V759 M783 P797 Y800 A801 | R751-I755 HydrophobicContact CB-CD1 4.26Å; R751-I755 VanDerWaalsContact O-CB 3.28Å; R751-I755 WeakPolarHBondContact O-CB 3.3Å; R751-I755 WeakPolarHBondContact O-CD1 3.37Å; R751-I755 WeakPolarHBondContact O-CG1 3.46Å; R751-I755 PolarHBondContact O-N 3.29Å; R753-I755 PolarHBondContact O-N 3.1Å; I755-L758 PolarHBondContact O-N 3.1Å; I755-V759 HydrophobicContact CG2-CG2 4.43Å; I755-V759 WeakPolarHBondContact O-CG2 3.36Å; I755-V759 PolarHBondContact O-N 2.98Å; I755-M783 HydrophobicContact CB-CE 4.39Å; I755-M783 HydrophobicContact CB-SD 4.47Å; I755-M783 HydrophobicContact CD1-CE 4.37Å; I755-M783 HydrophobicContact CD1-CG 3.91Å; I755-M783 HydrophobicContact CD1-SD 3.47Å; I755-M783 VanDerWaalsContact CD1-SD 3.54Å; I755-M783 WeakPolarHBondContact CD1-SD 3.24Å; I755-M783 HydrophobicContact CG1-CE 3.96Å; I755-M783 HydrophobicContact CG1-CG 4.24Å; I755-M783 HydrophobicContact CG1-SD 3.55Å; I755-M783 WeakPolarHBondContact CG1-SD 3.37Å; I755-M783 HydrophobicContact CG2-CE 4.16Å; I755-M783 HydrophobicContact CG2-SD 4.24Å; I755-P797 HydrophobicContact CD1-CB 3.86Å; I755-Y800 HydrophobicContact CB-CE1 4.38Å; I755-Y800 HydrophobicContact CG2-CD1 4.18Å; I755-Y800 HydrophobicContact CG2-CE1 4.14Å; I755-A801 HydrophobicContact CD1-CB 4.37Å; I755-A801 HydrophobicContact CG2-CB 3.57Å |
| 756 | K | 91.6 | Very high | 86.1 | Confident | 108 Ų | 108 | 41.4 Ų | 41.4 | 47% | 0.47 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62 | -47.8 | 177.5 | -176.2 | -178.7 | 175.6 | -171.5 | 0 | 111 | C752 R753 L754 L758 V759 D760 L804 | C752-K756 WeakPolarHBondContact O-CB 3.33Å; C752-K756 PolarHBondContact O-N 3.42Å; C752-K756 VanDerWaalsContact O-N 3.15Å; R753-K756 PolarHBondContact O-N 3.32Å; L754-K756 VanDerWaalsContact C-N 3.32Å; L754-K756 PolarHBondContact O-N 3.34Å; K756-L758 VanDerWaalsContact C-N 3.32Å; K756-L758 PolarHBondContact O-N 2.93Å; K756-V759 PolarHBondContact O-N 3.05Å; K756-D760 VanDerWaalsContact CE-OD2 3.29Å; K756-D760 WeakPolarHBondContact CE-OD2 3.32Å; K756-D760 WeakPolarHBondContact CG-OD2 3.33Å; K756-D760 WeakPolarHBondContact O-CB 3.47Å; K756-D760 VanDerWaalsContact O-CG 3.32Å; K756-D760 PolarHBondContact O-N 3.28Å; K756-L804 HydrophobicContact CB-CD1 4.42Å; K756-L804 HydrophobicContact CB-CD2 4.09Å; K756-L804 HydrophobicContact CG-CD1 4.38Å; K756-L804 HydrophobicContact CG-CD2 4.16Å |
| 757 | L | 92 | Very high | 86.8 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 13% | 0.131 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 177.3 | -174.9 | 66.4 | 0 | 0 | 0 | 111.8 | F676 Y679 E680 L683 R753 L754 D760 R761 | F676-L757 HydrophobicContact CD2-CD2 4.45Å; F676-L757 HydrophobicContact CE1-CD2 4.25Å; F676-L757 HydrophobicContact CE2-CB 4.14Å; F676-L757 HydrophobicContact CE2-CD2 4.07Å; F676-L757 HydrophobicContact CZ-CB 4.17Å; F676-L757 HydrophobicContact CZ-CD1 4.29Å; F676-L757 HydrophobicContact CZ-CD2 3.82Å; F676-L757 HydrophobicContact CZ-CG 4.32Å; Y679-L757 HydrophobicContact CD1-CD2 3.88Å; Y679-L757 HydrophobicContact CE1-CD2 4.39Å; E680-L757 HydrophobicContact CB-CD2 3.81Å; E680-L757 HydrophobicContact CG-CD2 4.31Å; L683-L757 HydrophobicContact CD1-CD2 4.05Å; L683-L757 HydrophobicContact CD1-CG 3.93Å; R753-L757 PolarHBondContact O-N 3.23Å; R753-L757 VanDerWaalsContact O-N 3.09Å; L754-L757 PolarHBondContact O-N 3.04Å; L757-D760 PolarHBondContact O-N 3.3Å; L757-R761 WeakPolarHBondContact O-CB 3.29Å; L757-R761 VanDerWaalsContact O-CG 3.29Å; L757-R761 WeakPolarHBondContact O-CG 3.41Å; L757-R761 PolarHBondContact O-N 2.93Å |
| 758 | L | 92.8 | Very high | 86.8 | Confident | 1.66667 Ų | 1.66667 | 41.3 Ų | 41.3 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -48.2 | 175.6 | -178.5 | 59.3 | 0 | 0 | 0 | 111.7 | Y679 L683 L754 I755 K756 D760 R761 I762 I775 Q778 A779 L782 M783 | Y679-L758 HydrophobicContact CE1-CB 4.36Å; Y679-L758 WeakPolarHBondContact OH-CD1 3.27Å; L683-L758 HydrophobicContact CD2-CD1 3.94Å; L754-L758 WeakPolarHBondContact O-CB 3.28Å; L754-L758 PolarHBondContact O-N 2.89Å; I755-L758 PolarHBondContact O-N 3.1Å; K756-L758 VanDerWaalsContact C-N 3.32Å; K756-L758 PolarHBondContact O-N 2.93Å; L758-D760 PolarHBondContact O-N 3.33Å; L758-R761 PolarHBondContact O-N 3.25Å; L758-I762 HydrophobicContact CD1-CD1 4.26Å; L758-I762 HydrophobicContact CD1-CG1 4.37Å; L758-I762 HydrophobicContact CD2-CD1 4.47Å; L758-I762 HydrophobicContact CG-CD1 3.89Å; L758-I762 HydrophobicContact CG-CG1 4.44Å; L758-I762 WeakPolarHBondContact O-CB 3.38Å; L758-I762 WeakPolarHBondContact O-CD1 3.21Å; L758-I762 VanDerWaalsContact O-CG1 3.24Å; L758-I762 WeakPolarHBondContact O-CG1 3.4Å; L758-I762 PolarHBondContact O-N 3.07Å; L758-I775 HydrophobicContact CD1-CG2 4.21Å; L758-Q778 VanDerWaalsContact CD1-NE2 3.32Å; L758-Q778 HydrophobicContact CD2-CG 4.5Å; L758-A779 HydrophobicContact CD2-CB 4.13Å; L758-L782 HydrophobicContact CD2-CD1 4.01Å; L758-M783 HydrophobicContact CD2-CE 4.47Å |
| 759 | V | 91.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -37.6 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | I755 K756 R761 I762 F763 L804 I805 K808 F842 | I755-V759 HydrophobicContact CG2-CG2 4.43Å; I755-V759 WeakPolarHBondContact O-CG2 3.36Å; I755-V759 PolarHBondContact O-N 2.98Å; K756-V759 PolarHBondContact O-N 3.05Å; V759-R761 VanDerWaalsContact C-N 3.29Å; V759-R761 PolarHBondContact O-N 3.48Å; V759-I762 PolarHBondContact O-N 3.23Å; V759-F763 HydrophobicContact CG1-CD2 4.05Å; V759-F763 HydrophobicContact CG1-CE2 3.85Å; V759-F763 VanDerWaalsContact O-CD2 3.24Å; V759-F763 WeakPolarHBondContact O-CD2 3.34Å; V759-F763 PolarHBondContact O-N 3.39Å; V759-L804 HydrophobicContact CB-CD2 3.73Å; V759-L804 HydrophobicContact CB-CG 4.37Å; V759-L804 HydrophobicContact CG1-CD2 3.89Å; V759-L804 VanDerWaalsContact CG1-CD2 3.45Å; V759-L804 HydrophobicContact CG1-CG 4.03Å; V759-L804 HydrophobicContact CG2-CD2 3.97Å; V759-I805 HydrophobicContact CG1-CB 4.32Å; V759-I805 HydrophobicContact CG1-CG1 4.45Å; V759-I805 HydrophobicContact CG2-CB 4.28Å; V759-K808 HydrophobicContact CG1-CD 4.27Å; V759-F842 HydrophobicContact CG2-CE1 3.75Å; V759-F842 HydrophobicContact CG2-CZ 3.87Å |
| 760 | D | 91.2 | Very high | 86 | Confident | 67 Ų | 67 | 36.4 Ų | 36.4 | 36% | 0.358 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.9 | -37.3 | 175.7 | -69.3 | -25.1 | 0 | 0 | 0 | 111.4 | K756 L757 L758 F763 S764 K808 | K756-D760 VanDerWaalsContact CE-OD2 3.29Å; K756-D760 WeakPolarHBondContact CE-OD2 3.32Å; K756-D760 WeakPolarHBondContact CG-OD2 3.33Å; K756-D760 WeakPolarHBondContact O-CB 3.47Å; K756-D760 VanDerWaalsContact O-CG 3.32Å; K756-D760 PolarHBondContact O-N 3.28Å; L757-D760 PolarHBondContact O-N 3.3Å; L758-D760 PolarHBondContact O-N 3.33Å; D760-F763 PolarHBondContact O-N 3.01Å; D760-S764 WeakPolarHBondContact O-CB 3.45Å; D760-S764 PolarHBondContact O-N 3.19Å; D760-S764 VanDerWaalsContact O-N 3.1Å; D760-K808 IonicContact OD1-NZ 3.79Å; D760-K808 PolarHBondContact OD1-NZ 3.31Å |
| 761 | R | 90.2 | Very high | 85.6 | Confident | 63.3333 Ų | 63.3333 | 36.5 Ų | 36.5 | 24% | 0.239 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.7 | -34 | 172.8 | -95 | -47.6 | -177.1 | 159.3 | -4.3 | 113.7 | E680 L683 S687 L757 L758 V759 F763 S764 C765 W767 | E680-R761 IonicContact OE1-CZ 2.76Å; E680-R761 IonicContact OE1-NH2 3.54Å; E680-R761 PolarHBondContact OE1-NH2 3.28Å; L683-R761 HydrophobicContact CB-CG 4.33Å; L683-R761 HydrophobicContact CD1-CB 4.33Å; L683-R761 HydrophobicContact CD1-CG 4Å; S687-R761 PolarHBondContact OG-NH2 3.43Å; L757-R761 WeakPolarHBondContact O-CB 3.29Å; L757-R761 VanDerWaalsContact O-CG 3.29Å; L757-R761 WeakPolarHBondContact O-CG 3.41Å; L757-R761 PolarHBondContact O-N 2.93Å; L758-R761 PolarHBondContact O-N 3.25Å; V759-R761 VanDerWaalsContact C-N 3.29Å; V759-R761 PolarHBondContact O-N 3.48Å; R761-F763 VanDerWaalsContact C-N 3.27Å; R761-F763 PolarHBondContact O-N 3.19Å; R761-S764 WeakPolarHBondContact CA-OG 3.31Å; R761-S764 PolarHBondContact NH1-OG 3.25Å; R761-S764 PolarHBondContact O-N 2.76Å; R761-S764 VanDerWaalsContact O-N 3.14Å; R761-S764 PolarHBondContact O-OG 3.19Å; R761-S764 VanDerWaalsContact O-OG 3.09Å; R761-C765 VanDerWaalsContact CZ-SG 3.52Å; R761-C765 PolarHBondContact O-N 3.06Å; R761-W767 HydrophobicContact CG-CH2 4.47Å; R761-W767 HydrophobicContact CG-CZ2 3.94Å; R761-W767 WeakPolarHBondContact O-CZ2 3.47Å; R761-W767 PolarHBondContact O-NE1 3.29Å |
| 762 | I | 89.5 | Confident | 85.4 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.9 | -40.4 | 175.5 | -77.4 | 162 | 0 | 0 | 0 | 111 | L758 V759 W767 I775 I805 L835 I838 F842 | L758-I762 HydrophobicContact CD1-CD1 4.26Å; L758-I762 HydrophobicContact CD1-CG1 4.37Å; L758-I762 HydrophobicContact CD2-CD1 4.47Å; L758-I762 HydrophobicContact CG-CD1 3.89Å; L758-I762 HydrophobicContact CG-CG1 4.44Å; L758-I762 WeakPolarHBondContact O-CB 3.38Å; L758-I762 WeakPolarHBondContact O-CD1 3.21Å; L758-I762 VanDerWaalsContact O-CG1 3.24Å; L758-I762 WeakPolarHBondContact O-CG1 3.4Å; L758-I762 PolarHBondContact O-N 3.07Å; V759-I762 PolarHBondContact O-N 3.23Å; I762-W767 PolarHBondContact O-NE1 2.92Å; I762-W767 VanDerWaalsContact O-NE1 3.13Å; I762-I775 HydrophobicContact CD1-CG2 4Å; I762-I775 HydrophobicContact CG1-CG2 3.98Å; I762-I805 HydrophobicContact CD1-CD1 4.44Å; I762-L835 HydrophobicContact CG2-CD2 3.73Å; I762-I838 HydrophobicContact CD1-CG2 3.74Å; I762-I838 HydrophobicContact CG1-CD1 4.4Å; I762-I838 HydrophobicContact CG1-CG2 4.33Å; I762-I838 HydrophobicContact CG2-CD1 4.17Å; I762-I838 HydrophobicContact CG2-CG2 4.44Å; I762-F842 HydrophobicContact CD1-CE2 4.04Å; I762-F842 HydrophobicContact CD1-CZ 3.86Å |
| 763 | F | 90.1 | Very high | 84.9 | Confident | 57 Ų | 57 | 36.6 Ų | 36.6 | 25% | 0.25 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -92.4 | -6.6 | -179.6 | -65.7 | -72.8 | 0 | 0 | 0 | 114.5 | V759 D760 R761 I805 K808 I812 L835 | V759-F763 HydrophobicContact CG1-CD2 4.05Å; V759-F763 HydrophobicContact CG1-CE2 3.85Å; V759-F763 VanDerWaalsContact O-CD2 3.24Å; V759-F763 WeakPolarHBondContact O-CD2 3.34Å; V759-F763 PolarHBondContact O-N 3.39Å; D760-F763 PolarHBondContact O-N 3.01Å; R761-F763 VanDerWaalsContact C-N 3.27Å; R761-F763 PolarHBondContact O-N 3.19Å; F763-I805 HydrophobicContact CE2-CG1 3.95Å; F763-I805 HydrophobicContact CZ-CG1 3.98Å; F763-K808 HydrophobicContact CD2-CB 4.06Å; F763-K808 HydrophobicContact CD2-CD 3.4Å; F763-K808 HydrophobicContact CD2-CG 4.39Å; F763-K808 HydrophobicContact CE1-CB 3.98Å; F763-K808 HydrophobicContact CE2-CB 3.44Å; F763-K808 VanDerWaalsContact CE2-CB 3.46Å; F763-K808 HydrophobicContact CE2-CD 3.44Å; F763-K808 VanDerWaalsContact CE2-CD 3.44Å; F763-K808 HydrophobicContact CE2-CG 4.08Å; F763-K808 HydrophobicContact CG-CD 4.23Å; F763-K808 HydrophobicContact CZ-CB 3.4Å; F763-K808 VanDerWaalsContact CZ-CB 3.43Å; F763-K808 HydrophobicContact CZ-CD 4.28Å; F763-K808 HydrophobicContact CZ-CG 4.42Å; F763-I812 HydrophobicContact CD1-CD1 3.68Å; F763-I812 HydrophobicContact CE1-CD1 3.64Å; F763-L835 HydrophobicContact CD1-CD1 4.48Å; F763-L835 HydrophobicContact CD1-CD2 4.43Å; F763-L835 HydrophobicContact CE1-CD1 3.93Å; F763-L835 HydrophobicContact CE1-CD2 3.76Å; F763-L835 HydrophobicContact CE1-CG 4.38Å; F763-L835 HydrophobicContact CZ-CD2 4.03Å |
| 764 | S | 86.4 | Confident | 84.4 | Confident | 71.6667 Ų | 71.6667 | 32.9 Ų | 32.9 | 50% | 0.501 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -85.8 | -20.6 | 176.9 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | D760 R761 | D760-S764 WeakPolarHBondContact O-CB 3.45Å; D760-S764 PolarHBondContact O-N 3.19Å; D760-S764 VanDerWaalsContact O-N 3.1Å; R761-S764 WeakPolarHBondContact CA-OG 3.31Å; R761-S764 PolarHBondContact NH1-OG 3.25Å; R761-S764 PolarHBondContact O-N 2.76Å; R761-S764 VanDerWaalsContact O-N 3.14Å; R761-S764 PolarHBondContact O-OG 3.19Å; R761-S764 VanDerWaalsContact O-OG 3.09Å |
| 765 | C | 82.9 | Confident | 84 | Confident | 30.6667 Ų | 30.6667 | 33.1 Ų | 33.1 | 21% | 0.207 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -128.2 | 155.8 | -171.5 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | R761 W767 | R761-C765 VanDerWaalsContact CZ-SG 3.52Å; R761-C765 PolarHBondContact O-N 3.06Å; C765-W767 HydrophobicContact CB-CD2 4.4Å; C765-W767 HydrophobicContact CB-CH2 4.4Å; C765-W767 HydrophobicContact CB-CZ2 3.78Å |
| 766 | Q | 82.2 | Confident | 83.6 | Confident | 130.333 Ų | 130.333 | 33.1 Ų | 33.1 | 61% | 0.609 | 17% | 0.167 | S | C | * | . | trans | -94.3 | 105.1 | 172 | -95.8 | -175.2 | 5.3 | 0 | 0 | 109.9 | N690 P830 | N690-Q766 PolarHBondContact ND2-O 3.12Å; Q766-P830 VanDerWaalsContact NE2-CB 3.27Å | ||
| 767 | W | 83.6 | Confident | 83 | Confident | 13.3333 Ų | 13.3333 | 28.5 Ų | 28.5 | 5% | 0.051 | 15% | 0.147 | C | C | . | . | trans | -84.3 | 133.3 | -174.8 | -58.1 | 99 | 0 | 0 | 0 | 112.1 | N690 R761 I762 C765 T771 S772 I775 S834 I838 | N690-W767 HydrophobicContact CB-CE3 4.06Å; N690-W767 HydrophobicContact CB-CZ3 4.06Å; N690-W767 WeakPolarHBondContact OD1-CA 3.25Å; R761-W767 HydrophobicContact CG-CH2 4.47Å; R761-W767 HydrophobicContact CG-CZ2 3.94Å; R761-W767 WeakPolarHBondContact O-CZ2 3.47Å; R761-W767 PolarHBondContact O-NE1 3.29Å; I762-W767 PolarHBondContact O-NE1 2.92Å; I762-W767 VanDerWaalsContact O-NE1 3.13Å; C765-W767 HydrophobicContact CB-CD2 4.4Å; C765-W767 HydrophobicContact CB-CH2 4.4Å; C765-W767 HydrophobicContact CB-CZ2 3.78Å; W767-T771 HydrophobicContact CE3-CG2 3.51Å; W767-T771 VanDerWaalsContact CE3-CG2 3.48Å; W767-T771 HydrophobicContact CZ3-CG2 3.79Å; W767-S772 VanDerWaalsContact CB-OG 3.31Å; W767-S772 WeakPolarHBondContact CB-OG 3.32Å; W767-S772 PolarHBondContact O-OG 3.02Å; W767-I775 HydrophobicContact CD2-CD1 3.44Å; W767-I775 VanDerWaalsContact CD2-CD1 3.44Å; W767-I775 HydrophobicContact CE3-CD1 3.52Å; W767-I775 VanDerWaalsContact CE3-CD1 3.45Å; W767-I775 HydrophobicContact CG-CD1 3.95Å; W767-I775 HydrophobicContact CH2-CD1 4.12Å; W767-I775 HydrophobicContact CZ2-CD1 4.07Å; W767-I775 HydrophobicContact CZ3-CD1 3.86Å; W767-S834 VanDerWaalsContact O-CB 3.28Å; W767-S834 WeakPolarHBondContact O-CB 3.27Å; W767-I838 HydrophobicContact CB-CD1 4.47Å; W767-I838 HydrophobicContact CG-CD1 4.44Å | ||
| 768 | S | 76.1 | Confident | 82.5 | Confident | 16.3333 Ų | 16.3333 | 27.3 Ų | 27.3 | 11% | 0.114 | 14% | 0.141 | C | C | . | . | trans | -64.4 | 155 | 167 | 70 | 0 | 0 | 0 | 0 | 110.9 | N690 R722 D770 T771 S772 | N690-S768 WeakPolarHBondContact OD1-CB 3.36Å; N690-S768 PolarHBondContact OD1-N 3.08Å; N690-S768 PolarHBondContact OD1-OG 3.12Å; R722-S768 PolarHBondContact NH1-OG 2.81Å; R722-S768 VanDerWaalsContact NH1-OG 3.16Å; R722-S768 VanDerWaalsContact NH2-CB 3.32Å; R722-S768 PolarHBondContact NH2-OG 3.26Å; S768-D770 VanDerWaalsContact C-N 3.31Å; S768-D770 PolarHBondContact O-N 3.31Å; S768-T771 PolarHBondContact N-OG1 3.07Å; S768-T771 VanDerWaalsContact N-OG1 3.13Å; S768-T771 PolarHBondContact O-N 3.05Å; S768-T771 PolarHBondContact O-OG1 3.37Å; S768-T771 VanDerWaalsContact O-OG1 3.05Å; S768-T771 WeakPolarHBondContact OG-CB 3.42Å; S768-T771 PolarHBondContact OG-N 3.15Å; S768-T771 PolarHBondContact OG-OG1 3.21Å; S768-T771 VanDerWaalsContact OG-OG1 3.04Å; S768-S772 VanDerWaalsContact O-CB 3.28Å; S768-S772 WeakPolarHBondContact O-CB 3.28Å; S768-S772 PolarHBondContact O-N 3.26Å; S768-S772 PolarHBondContact O-OG 3.36Å | ||
| 769 | P | 70.5 | Confident | 82.1 | Confident | 15 Ų | 15 | 27.3 Ų | 27.3 | 10% | 0.097 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.3 | -37.8 | -178.2 | -30.4 | 39.1 | 0 | 0 | 0 | 114.3 | P712 T714 S772 R773 L833 Y837 | P712-P769 HydrophobicContact CB-CB 3.41Å; P712-P769 VanDerWaalsContact CB-CB 3.41Å; P712-P769 HydrophobicContact CB-CG 3.67Å; P712-P769 HydrophobicContact CG-CB 3.53Å; P712-P769 HydrophobicContact CG-CG 3.58Å; T714-P769 WeakPolarHBondContact O-CG 3.36Å; P769-S772 WeakPolarHBondContact O-CB 3.37Å; P769-S772 PolarHBondContact O-N 2.97Å; P769-R773 WeakPolarHBondContact O-CG 3.32Å; P769-R773 PolarHBondContact O-N 2.99Å; P769-L833 HydrophobicContact CG-CD2 4.15Å; P769-Y837 HydrophobicContact CB-CD2 4.02Å; P769-Y837 HydrophobicContact CB-CE2 3.78Å; P769-Y837 HydrophobicContact CG-CE2 4.41Å |
| 770 | D | 68.9 | Low | 81.7 | Confident | 48 Ų | 48 | 28 Ų | 28 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -70.8 | -43.4 | -179.1 | -51.1 | -40.5 | 0 | 0 | 0 | 111.7 | R722 S768 S772 R773 L774 | R722-D770 IonicContact CZ-OD2 2.8Å; R722-D770 IonicContact NH2-OD2 3.29Å; R722-D770 PolarHBondContact NH2-OD2 2.92Å; S768-D770 VanDerWaalsContact C-N 3.31Å; S768-D770 PolarHBondContact O-N 3.31Å; D770-S772 VanDerWaalsContact C-N 3.3Å; D770-S772 PolarHBondContact O-N 3.22Å; D770-R773 PolarHBondContact O-N 3.04Å; D770-R773 IonicContact OD1-CZ 3.1Å; D770-R773 IonicContact OD1-NH1 3.2Å; D770-R773 PolarHBondContact OD1-NH1 3.36Å; D770-L774 WeakPolarHBondContact O-CG 3.39Å; D770-L774 PolarHBondContact O-N 3.22Å; D770-L774 VanDerWaalsContact O-N 3.08Å |
| 771 | T | 76.7 | Confident | 81.2 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.4 | -36.6 | 173.2 | -20.3 | 0 | 0 | 0 | 0 | 111 | N690 R722 M730 W767 S768 R773 L774 I775 | N690-T771 HydrophobicContact CB-CG2 4.38Å; N690-T771 PolarHBondContact OD1-OG1 3.38Å; R722-T771 PolarHBondContact NH1-OG1 3.08Å; R722-T771 VanDerWaalsContact NH1-OG1 3.16Å; R722-T771 PolarHBondContact NH2-OG1 2.95Å; M730-T771 HydrophobicContact CE-CG2 3.84Å; M730-T771 WeakPolarHBondContact CE-OG1 3.42Å; M730-T771 HydrophobicContact CG-CG2 4.45Å; M730-T771 HydrophobicContact SD-CG2 3.74Å; W767-T771 HydrophobicContact CE3-CG2 3.51Å; W767-T771 VanDerWaalsContact CE3-CG2 3.48Å; W767-T771 HydrophobicContact CZ3-CG2 3.79Å; S768-T771 PolarHBondContact N-OG1 3.07Å; S768-T771 VanDerWaalsContact N-OG1 3.13Å; S768-T771 PolarHBondContact O-N 3.05Å; S768-T771 PolarHBondContact O-OG1 3.37Å; S768-T771 VanDerWaalsContact O-OG1 3.05Å; S768-T771 WeakPolarHBondContact OG-CB 3.42Å; S768-T771 PolarHBondContact OG-N 3.15Å; S768-T771 PolarHBondContact OG-OG1 3.21Å; S768-T771 VanDerWaalsContact OG-OG1 3.04Å; T771-R773 VanDerWaalsContact C-N 3.32Å; T771-R773 PolarHBondContact O-N 2.91Å; T771-L774 WeakPolarHBondContact O-CB 3.44Å; T771-L774 PolarHBondContact O-N 3.4Å; T771-L774 VanDerWaalsContact O-N 3.16Å; T771-I775 HydrophobicContact CG2-CD1 4.02Å; T771-I775 HydrophobicContact CG2-CG1 4.44Å; T771-I775 WeakPolarHBondContact O-CB 3.49Å; T771-I775 VanDerWaalsContact O-CG1 3.28Å; T771-I775 WeakPolarHBondContact O-CG1 3.31Å; T771-I775 PolarHBondContact O-N 3.2Å |
| 772 | S | 80.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | W767 S768 P769 D770 L774 I775 G776 S834 I838 | W767-S772 VanDerWaalsContact CB-OG 3.31Å; W767-S772 WeakPolarHBondContact CB-OG 3.32Å; W767-S772 PolarHBondContact O-OG 3.02Å; S768-S772 VanDerWaalsContact O-CB 3.28Å; S768-S772 WeakPolarHBondContact O-CB 3.28Å; S768-S772 PolarHBondContact O-N 3.26Å; S768-S772 PolarHBondContact O-OG 3.36Å; P769-S772 WeakPolarHBondContact O-CB 3.37Å; P769-S772 PolarHBondContact O-N 2.97Å; D770-S772 VanDerWaalsContact C-N 3.3Å; D770-S772 PolarHBondContact O-N 3.22Å; S772-L774 VanDerWaalsContact C-N 3.34Å; S772-L774 PolarHBondContact O-N 3.02Å; S772-I775 PolarHBondContact O-N 2.96Å; S772-G776 PolarHBondContact O-N 3.04Å; S772-S834 WeakPolarHBondContact OG-CA 3.35Å; S772-S834 VanDerWaalsContact OG-CB 3.27Å; S772-S834 WeakPolarHBondContact OG-CB 3.18Å; S772-I838 VanDerWaalsContact O-CG1 3.31Å; S772-I838 WeakPolarHBondContact O-CG1 3.32Å |
| 773 | R | 76.4 | Confident | 80.4 | Confident | 20.6667 Ų | 20.6667 | 21.7 Ų | 21.7 | 8% | 0.078 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 174.8 | -67 | -175.7 | -158.1 | 108.4 | -6.4 | 111.6 | Q713 P769 D770 T771 G776 Y777 Y837 E909 P1228 | Q713-R773 VanDerWaalsContact CG-NH1 3.3Å; P769-R773 WeakPolarHBondContact O-CG 3.32Å; P769-R773 PolarHBondContact O-N 2.99Å; D770-R773 PolarHBondContact O-N 3.04Å; D770-R773 IonicContact OD1-CZ 3.1Å; D770-R773 IonicContact OD1-NH1 3.2Å; D770-R773 PolarHBondContact OD1-NH1 3.36Å; T771-R773 VanDerWaalsContact C-N 3.32Å; T771-R773 PolarHBondContact O-N 2.91Å; R773-G776 PolarHBondContact O-N 2.87Å; R773-Y777 PolarHBondContact O-N 3.12Å; R773-Y837 HydrophobicContact CG-CD1 3.64Å; R773-Y837 HydrophobicContact CG-CE1 4.31Å; R773-Y837 HydrophobicContact CG-CG 3.98Å; R773-E909 IonicContact CZ-OE1 3.04Å; R773-E909 IonicContact NE-OE1 3.15Å; R773-E909 IonicContact NH2-OE1 3.4Å; R773-E909 PolarHBondContact NH2-OE1 3.07Å; R773-P1228 WeakPolarHBondContact CD-O 3.39Å |
| 774 | L | 77.3 | Confident | 79.7 | Confident | 15.6667 Ų | 15.6667 | 19.8 Ų | 19.8 | 8% | 0.082 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.3 | -41.1 | 176.4 | -68.8 | 172.9 | 0 | 0 | 0 | 112.3 | M730 T734 D770 T771 S772 G776 Y777 Q778 L1245 | M730-L774 HydrophobicContact CB-CD1 4.11Å; M730-L774 HydrophobicContact CE-CD1 3.92Å; M730-L774 HydrophobicContact CG-CD1 3.47Å; M730-L774 VanDerWaalsContact CG-CD1 3.47Å; M730-L774 HydrophobicContact SD-CD1 4.45Å; T734-L774 HydrophobicContact CG2-CB 3.87Å; T734-L774 HydrophobicContact CG2-CD1 4.34Å; T734-L774 HydrophobicContact CG2-CD2 3.92Å; D770-L774 WeakPolarHBondContact O-CG 3.39Å; D770-L774 PolarHBondContact O-N 3.22Å; D770-L774 VanDerWaalsContact O-N 3.08Å; T771-L774 WeakPolarHBondContact O-CB 3.44Å; T771-L774 PolarHBondContact O-N 3.4Å; T771-L774 VanDerWaalsContact O-N 3.16Å; S772-L774 VanDerWaalsContact C-N 3.34Å; S772-L774 PolarHBondContact O-N 3.02Å; L774-G776 VanDerWaalsContact C-N 3.33Å; L774-G776 PolarHBondContact O-N 3.2Å; L774-Y777 WeakPolarHBondContact O-CB 3.2Å; L774-Y777 PolarHBondContact O-N 3.12Å; L774-Y777 VanDerWaalsContact O-N 3.14Å; L774-Q778 WeakPolarHBondContact O-CB 3.28Å; L774-Q778 WeakPolarHBondContact O-CG 3.25Å; L774-Q778 PolarHBondContact O-N 3.1Å; L774-L1245 HydrophobicContact CD2-CD1 3.95Å; L774-L1245 HydrophobicContact CD2-CD2 3.98Å |
| 775 | I | 84.1 | Confident | 78.8 | Confident | 4.33333 Ų | 4.33333 | 17 Ų | 17 | 2% | 0.022 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 173.4 | -70.9 | 166.4 | 0 | 0 | 0 | 110.8 | L758 I762 W767 T771 S772 Y777 Q778 A779 I838 | L758-I775 HydrophobicContact CD1-CG2 4.21Å; I762-I775 HydrophobicContact CD1-CG2 4Å; I762-I775 HydrophobicContact CG1-CG2 3.98Å; W767-I775 HydrophobicContact CD2-CD1 3.44Å; W767-I775 VanDerWaalsContact CD2-CD1 3.44Å; W767-I775 HydrophobicContact CE3-CD1 3.52Å; W767-I775 VanDerWaalsContact CE3-CD1 3.45Å; W767-I775 HydrophobicContact CG-CD1 3.95Å; W767-I775 HydrophobicContact CH2-CD1 4.12Å; W767-I775 HydrophobicContact CZ2-CD1 4.07Å; W767-I775 HydrophobicContact CZ3-CD1 3.86Å; T771-I775 HydrophobicContact CG2-CD1 4.02Å; T771-I775 HydrophobicContact CG2-CG1 4.44Å; T771-I775 WeakPolarHBondContact O-CB 3.49Å; T771-I775 VanDerWaalsContact O-CG1 3.28Å; T771-I775 WeakPolarHBondContact O-CG1 3.31Å; T771-I775 PolarHBondContact O-N 3.2Å; S772-I775 PolarHBondContact O-N 2.96Å; I775-Y777 VanDerWaalsContact C-N 3.31Å; I775-Y777 PolarHBondContact O-N 3.05Å; I775-Q778 WeakPolarHBondContact O-CB 3.41Å; I775-Q778 PolarHBondContact O-N 3.22Å; I775-Q778 VanDerWaalsContact O-N 3.15Å; I775-A779 VanDerWaalsContact O-CB 3.27Å; I775-A779 WeakPolarHBondContact O-CB 3.37Å; I775-A779 PolarHBondContact O-N 3.21Å; I775-I838 HydrophobicContact CB-CG1 4.14Å; I775-I838 HydrophobicContact CG2-CD1 4.16Å; I775-I838 HydrophobicContact CG2-CG1 3.93Å; I775-I838 HydrophobicContact CG2-CG2 3.98Å |
| 776 | G | 81.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | S772 R773 L774 A779 Y780 G841 | S772-G776 PolarHBondContact O-N 3.04Å; R773-G776 PolarHBondContact O-N 2.87Å; L774-G776 VanDerWaalsContact C-N 3.33Å; L774-G776 PolarHBondContact O-N 3.2Å; G776-A779 PolarHBondContact O-N 3.29Å; G776-Y780 PolarHBondContact O-N 2.96Å; G776-Y780 VanDerWaalsContact O-N 3.08Å; G776-G841 VanDerWaalsContact O-CA 3.25Å; G776-G841 WeakPolarHBondContact O-CA 3.24Å |
| 777 | Y | 77.9 | Confident | 76.3 | Confident | 11.6667 Ų | 11.6667 | 11.9 Ų | 11.9 | 5% | 0.046 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.6 | -41.4 | 176.3 | -168.7 | -102.5 | 0 | 0 | 0 | 113 | T734 V738 R773 L774 I775 Y780 W781 Q1232 I1233 G1239 L1240 L1245 | T734-Y777 HydrophobicContact CG2-CD1 4.07Å; V738-Y777 HydrophobicContact CG1-CE1 4.44Å; V738-Y777 HydrophobicContact CG2-CD1 3.82Å; V738-Y777 HydrophobicContact CG2-CE1 3.77Å; R773-Y777 PolarHBondContact O-N 3.12Å; L774-Y777 WeakPolarHBondContact O-CB 3.2Å; L774-Y777 PolarHBondContact O-N 3.12Å; L774-Y777 VanDerWaalsContact O-N 3.14Å; I775-Y777 VanDerWaalsContact C-N 3.31Å; I775-Y777 PolarHBondContact O-N 3.05Å; Y777-Y780 PolarHBondContact O-N 3.42Å; Y777-W781 AromaticContact CE1-CD1 3.76Å; Y777-W781 AromaticContact CE1-NE1 3.66Å; Y777-W781 AromaticContact CE2-NE1 3.8Å; Y777-W781 AromaticContact CZ-CD1 3.81Å; Y777-W781 AromaticContact CZ-NE1 3.27Å; Y777-W781 VanDerWaalsContact CZ-NE1 3.3Å; Y777-W781 PolarHBondContact O-N 3.17Å; Y777-W781 PolarHBondContact OH-NE1 2.94Å; Y777-Q1232 HydrophobicContact CD2-CB 4.21Å; Y777-Q1232 WeakPolarHBondContact CE2-O 3.25Å; Y777-I1233 HydrophobicContact CD2-CB 4.49Å; Y777-I1233 HydrophobicContact CD2-CG1 4.11Å; Y777-G1239 WeakPolarHBondContact OH-CA 3.47Å; Y777-G1239 PolarHBondContact OH-O 3.29Å; Y777-L1240 HydrophobicContact CE1-CD2 3.71Å; Y777-L1240 WeakPolarHBondContact OH-CD2 3.33Å; Y777-L1240 VanDerWaalsContact OH-CG 3.24Å; Y777-L1240 WeakPolarHBondContact OH-CG 3.5Å; Y777-L1240 PolarHBondContact OH-N 2.98Å; Y777-L1245 HydrophobicContact CD1-CD2 4.05Å; Y777-L1245 HydrophobicContact CD2-CD1 4.48Å; Y777-L1245 HydrophobicContact CE1-CD1 4.32Å; Y777-L1245 HydrophobicContact CE1-CD2 4.19Å; Y777-L1245 HydrophobicContact CE2-CD1 4.06Å; Y777-L1245 HydrophobicContact CG-CD2 4.31Å |
| 778 | Q | 83.2 | Confident | 74.3 | Confident | 0.333333 Ų | 0.333333 | 15.3 Ų | 15.3 | 0% | 0.002 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 172.5 | -169.1 | 175 | -15.1 | 0 | 0 | 111.6 | Y679 T734 C737 L758 L774 I775 Y780 W781 L782 | Y679-Q778 PolarHBondContact OH-NE2 2.84Å; Y679-Q778 VanDerWaalsContact OH-NE2 3.08Å; T734-Q778 HydrophobicContact CG2-CG 3.69Å; T734-Q778 PolarHBondContact OG1-NE2 3.37Å; C737-Q778 HydrophobicContact CB-CB 4.38Å; C737-Q778 VanDerWaalsContact CB-CD 3.42Å; C737-Q778 HydrophobicContact CB-CG 3.7Å; C737-Q778 PolarHBondContact SG-OE1 3.03Å; C737-Q778 VanDerWaalsContact SG-OE1 3.34Å; L758-Q778 VanDerWaalsContact CD1-NE2 3.32Å; L758-Q778 HydrophobicContact CD2-CG 4.5Å; L774-Q778 WeakPolarHBondContact O-CB 3.28Å; L774-Q778 WeakPolarHBondContact O-CG 3.25Å; L774-Q778 PolarHBondContact O-N 3.1Å; I775-Q778 WeakPolarHBondContact O-CB 3.41Å; I775-Q778 PolarHBondContact O-N 3.22Å; I775-Q778 VanDerWaalsContact O-N 3.15Å; Q778-Y780 VanDerWaalsContact C-N 3.31Å; Q778-Y780 PolarHBondContact O-N 2.82Å; Q778-W781 PolarHBondContact O-N 2.85Å; Q778-L782 HydrophobicContact CG-CD1 3.74Å; Q778-L782 WeakPolarHBondContact O-CD1 3.36Å; Q778-L782 WeakPolarHBondContact O-CG 3.41Å; Q778-L782 PolarHBondContact O-N 2.96Å; Q778-L782 VanDerWaalsContact O-N 3.12Å |
| 779 | A | 84.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57 | -48.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L758 I775 G776 W781 L782 M783 F842 | L758-A779 HydrophobicContact CD2-CB 4.13Å; I775-A779 VanDerWaalsContact O-CB 3.27Å; I775-A779 WeakPolarHBondContact O-CB 3.37Å; I775-A779 PolarHBondContact O-N 3.21Å; G776-A779 PolarHBondContact O-N 3.29Å; A779-W781 PolarHBondContact O-N 3.02Å; A779-L782 PolarHBondContact O-N 2.97Å; A779-L782 VanDerWaalsContact O-N 3.11Å; A779-M783 HydrophobicContact CB-CE 4.03Å; A779-M783 HydrophobicContact CB-SD 4.36Å; A779-M783 VanDerWaalsContact O-CB 3.31Å; A779-M783 WeakPolarHBondContact O-CB 3.08Å; A779-M783 WeakPolarHBondContact O-CG 3.33Å; A779-M783 PolarHBondContact O-N 3.14Å; A779-M783 VanDerWaalsContact O-N 3.09Å; A779-M783 VanDerWaalsContact O-SD 3.38Å; A779-F842 HydrophobicContact CB-CD2 3.93Å; A779-F842 HydrophobicContact CB-CE2 3.6Å; A779-F842 HydrophobicContact CB-CZ 4.14Å |
| 780 | Y | 82.9 | Confident | 71.1 | Confident | 14.6667 Ų | 14.6667 | 22.9 Ų | 22.9 | 6% | 0.058 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -51 | -54.7 | 177.8 | 174.2 | -106.1 | 0 | 0 | 0 | 112.9 | G776 Y777 Q778 L782 M783 I784 G841 C844 A845 I1233 | G776-Y780 PolarHBondContact O-N 2.96Å; G776-Y780 VanDerWaalsContact O-N 3.08Å; Y777-Y780 PolarHBondContact O-N 3.42Å; Q778-Y780 VanDerWaalsContact C-N 3.31Å; Q778-Y780 PolarHBondContact O-N 2.82Å; Y780-L782 VanDerWaalsContact C-N 3.33Å; Y780-L782 PolarHBondContact O-N 3.13Å; Y780-M783 PolarHBondContact O-N 3.19Å; Y780-M783 VanDerWaalsContact O-N 3.13Å; Y780-I784 HydrophobicContact CD1-CD1 3.78Å; Y780-I784 HydrophobicContact CD1-CG1 4.26Å; Y780-I784 HydrophobicContact CD2-CD1 4.22Å; Y780-I784 HydrophobicContact CD2-CG1 4.13Å; Y780-I784 HydrophobicContact CE1-CD1 3.32Å; Y780-I784 HydrophobicContact CE1-CG1 4.04Å; Y780-I784 HydrophobicContact CE2-CD1 3.79Å; Y780-I784 HydrophobicContact CE2-CG1 3.97Å; Y780-I784 HydrophobicContact CG-CD1 4.22Å; Y780-I784 HydrophobicContact CG-CG1 4.47Å; Y780-I784 WeakPolarHBondContact O-CG1 3.43Å; Y780-I784 PolarHBondContact O-N 3.34Å; Y780-I784 VanDerWaalsContact O-N 3.09Å; Y780-G841 WeakPolarHBondContact CA-O 3.42Å; Y780-C844 HydrophobicContact CD2-CB 3.93Å; Y780-C844 HydrophobicContact CE2-CB 4.17Å; Y780-C844 WeakPolarHBondContact CE2-O 3.43Å; Y780-A845 HydrophobicContact CD2-CB 4.03Å; Y780-A845 HydrophobicContact CE2-CB 4.34Å; Y780-I1233 HydrophobicContact CD1-CG2 3.84Å; Y780-I1233 HydrophobicContact CD2-CG2 3.66Å; Y780-I1233 HydrophobicContact CE1-CG2 4.34Å; Y780-I1233 WeakPolarHBondContact CE1-O 3.31Å; Y780-I1233 HydrophobicContact CE2-CG2 4.18Å; Y780-I1233 HydrophobicContact CG-CG2 3.46Å |
| 781 | W | 79.4 | Confident | 69.7 | Low | 5 Ų | 5 | 25.8 Ų | 25.8 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.6 | -26.1 | -176.6 | -75.7 | 106.2 | 0 | 0 | 0 | 114.6 | V738 L742 Y777 Q778 A779 M783 I784 L929 L934 P1237 L1240 | V738-W781 HydrophobicContact CB-CB 4.39Å; V738-W781 HydrophobicContact CB-CG 4.32Å; V738-W781 HydrophobicContact CG1-CB 4Å; V738-W781 HydrophobicContact CG1-CD2 4.07Å; V738-W781 HydrophobicContact CG1-CE3 4.49Å; V738-W781 HydrophobicContact CG1-CG 3.63Å; V738-W781 HydrophobicContact CG2-CB 4.15Å; V738-W781 HydrophobicContact CG2-CG 4.11Å; L742-W781 HydrophobicContact CD2-CE3 3.79Å; L742-W781 HydrophobicContact CD2-CZ3 3.85Å; L742-W781 HydrophobicContact CG-CE3 4.41Å; Y777-W781 AromaticContact CE1-CD1 3.76Å; Y777-W781 AromaticContact CE1-NE1 3.66Å; Y777-W781 AromaticContact CE2-NE1 3.8Å; Y777-W781 AromaticContact CZ-CD1 3.81Å; Y777-W781 AromaticContact CZ-NE1 3.27Å; Y777-W781 VanDerWaalsContact CZ-NE1 3.3Å; Y777-W781 PolarHBondContact O-N 3.17Å; Y777-W781 PolarHBondContact OH-NE1 2.94Å; Q778-W781 PolarHBondContact O-N 2.85Å; A779-W781 PolarHBondContact O-N 3.02Å; W781-M783 VanDerWaalsContact C-N 3.3Å; W781-I784 HydrophobicContact CD2-CD1 3.88Å; W781-I784 HydrophobicContact CE3-CD1 3.39Å; W781-I784 VanDerWaalsContact CE3-CD1 3.4Å; W781-I784 HydrophobicContact CG-CD1 4.42Å; W781-I784 HydrophobicContact CH2-CD1 4.38Å; W781-I784 HydrophobicContact CZ3-CD1 3.67Å; W781-L929 HydrophobicContact CH2-CD1 4.37Å; W781-L929 HydrophobicContact CZ3-CD1 4.17Å; W781-L934 HydrophobicContact CZ3-CD1 4.33Å; W781-P1237 HydrophobicContact CH2-CG 4.27Å; W781-L1240 HydrophobicContact CD2-CD2 4.2Å; W781-L1240 HydrophobicContact CH2-CD1 3.89Å; W781-L1240 HydrophobicContact CH2-CD2 4.43Å; W781-L1240 HydrophobicContact CH2-CG 4.04Å; W781-L1240 HydrophobicContact CZ2-CD1 3.68Å; W781-L1240 HydrophobicContact CZ2-CD2 3.79Å; W781-L1240 HydrophobicContact CZ2-CG 3.87Å; W781-L1240 HydrophobicContact CZ3-CD1 4.15Å |
| 782 | L | 82.6 | Confident | 68.1 | Low | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.8 | -27.5 | 170.9 | -74.1 | 162.2 | 0 | 0 | 0 | 112.5 | Y679 L740 L754 L758 Q778 A779 Y780 | Y679-L782 HydrophobicContact CE2-CD1 4.34Å; Y679-L782 VanDerWaalsContact OH-CD1 3.25Å; Y679-L782 WeakPolarHBondContact OH-CD1 3.27Å; L740-L782 HydrophobicContact CD2-CD2 4.19Å; L754-L782 HydrophobicContact CD1-CD2 4.36Å; L758-L782 HydrophobicContact CD2-CD1 4.01Å; Q778-L782 HydrophobicContact CG-CD1 3.74Å; Q778-L782 WeakPolarHBondContact O-CD1 3.36Å; Q778-L782 WeakPolarHBondContact O-CG 3.41Å; Q778-L782 PolarHBondContact O-N 2.96Å; Q778-L782 VanDerWaalsContact O-N 3.12Å; A779-L782 PolarHBondContact O-N 2.97Å; A779-L782 VanDerWaalsContact O-N 3.11Å; Y780-L782 VanDerWaalsContact C-N 3.33Å; Y780-L782 PolarHBondContact O-N 3.13Å |
| 783 | M | 80.8 | Confident | 66.7 | Low | 0.333333 Ų | 0.333333 | 43.2 Ų | 43.2 | 0% | 0.002 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -98.1 | -21.8 | -171.6 | -63.3 | -82.4 | 180 | 0 | 0 | 114.4 | I755 L758 A779 Y780 W781 D785 A801 F842 A845 | I755-M783 HydrophobicContact CB-CE 4.39Å; I755-M783 HydrophobicContact CB-SD 4.47Å; I755-M783 HydrophobicContact CD1-CE 4.37Å; I755-M783 HydrophobicContact CD1-CG 3.91Å; I755-M783 HydrophobicContact CD1-SD 3.47Å; I755-M783 VanDerWaalsContact CD1-SD 3.54Å; I755-M783 WeakPolarHBondContact CD1-SD 3.24Å; I755-M783 HydrophobicContact CG1-CE 3.96Å; I755-M783 HydrophobicContact CG1-CG 4.24Å; I755-M783 HydrophobicContact CG1-SD 3.55Å; I755-M783 WeakPolarHBondContact CG1-SD 3.37Å; I755-M783 HydrophobicContact CG2-CE 4.16Å; I755-M783 HydrophobicContact CG2-SD 4.24Å; L758-M783 HydrophobicContact CD2-CE 4.47Å; A779-M783 HydrophobicContact CB-CE 4.03Å; A779-M783 HydrophobicContact CB-SD 4.36Å; A779-M783 VanDerWaalsContact O-CB 3.31Å; A779-M783 WeakPolarHBondContact O-CB 3.08Å; A779-M783 WeakPolarHBondContact O-CG 3.33Å; A779-M783 PolarHBondContact O-N 3.14Å; A779-M783 VanDerWaalsContact O-N 3.09Å; A779-M783 VanDerWaalsContact O-SD 3.38Å; Y780-M783 PolarHBondContact O-N 3.19Å; Y780-M783 VanDerWaalsContact O-N 3.13Å; W781-M783 VanDerWaalsContact C-N 3.3Å; M783-D785 PolarHBondContact O-N 2.94Å; M783-D785 VanDerWaalsContact O-N 3.12Å; M783-A801 HydrophobicContact CE-CB 3.71Å; M783-A801 HydrophobicContact CG-CB 3.86Å; M783-A801 HydrophobicContact SD-CB 3.28Å; M783-A801 WeakPolarHBondContact SD-CB 3.33Å; M783-F842 HydrophobicContact CE-CD1 3.69Å; M783-F842 HydrophobicContact CE-CD2 4.18Å; M783-F842 HydrophobicContact CE-CE1 3.34Å; M783-F842 HydrophobicContact CE-CE2 3.95Å; M783-F842 HydrophobicContact CE-CG 3.9Å; M783-F842 HydrophobicContact CE-CZ 3.74Å; M783-F842 VanDerWaalsContact CE-CZ 3.45Å; M783-F842 HydrophobicContact SD-CB 4.16Å; M783-F842 HydrophobicContact SD-CD1 3.95Å; M783-F842 WeakPolarHBondContact SD-CD1 3.3Å; M783-F842 HydrophobicContact SD-CD2 4.46Å; M783-F842 HydrophobicContact SD-CE1 4.19Å; M783-F842 HydrophobicContact SD-CG 3.78Å; M783-A845 HydrophobicContact CB-CB 3.45Å; M783-A845 HydrophobicContact CG-CB 4.23Å |
| 784 | I | 75.3 | Confident | 65.8 | Low | 16.3333 Ų | 16.3333 | 46.3 Ų | 46.3 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | trans | -54 | 118 | -178.7 | -71.4 | 159.8 | 0 | 0 | 0 | 110.1 | R751 Y780 W781 S786 L929 | R751-I784 PolarHBondContact NH1-O 3.27Å; Y780-I784 HydrophobicContact CD1-CD1 3.78Å; Y780-I784 HydrophobicContact CD1-CG1 4.26Å; Y780-I784 HydrophobicContact CD2-CD1 4.22Å; Y780-I784 HydrophobicContact CD2-CG1 4.13Å; Y780-I784 HydrophobicContact CE1-CD1 3.32Å; Y780-I784 HydrophobicContact CE1-CG1 4.04Å; Y780-I784 HydrophobicContact CE2-CD1 3.79Å; Y780-I784 HydrophobicContact CE2-CG1 3.97Å; Y780-I784 HydrophobicContact CG-CD1 4.22Å; Y780-I784 HydrophobicContact CG-CG1 4.47Å; Y780-I784 WeakPolarHBondContact O-CG1 3.43Å; Y780-I784 PolarHBondContact O-N 3.34Å; Y780-I784 VanDerWaalsContact O-N 3.09Å; W781-I784 HydrophobicContact CD2-CD1 3.88Å; W781-I784 HydrophobicContact CE3-CD1 3.39Å; W781-I784 VanDerWaalsContact CE3-CD1 3.4Å; W781-I784 HydrophobicContact CG-CD1 4.42Å; W781-I784 HydrophobicContact CH2-CD1 4.38Å; W781-I784 HydrophobicContact CZ3-CD1 3.67Å; I784-S786 PolarHBondContact O-N 3.11Å; I784-S786 VanDerWaalsContact O-N 3.12Å; I784-S786 PolarHBondContact O-OG 2.92Å; I784-L929 HydrophobicContact CD1-CD1 4.3Å; I784-L929 HydrophobicContact CG2-CB 4.05Å; I784-L929 HydrophobicContact CG2-CD1 4.07Å | ||
| 785 | D | 66.5 | Low | 65.2 | Low | 14 Ų | 14 | 49.7 Ų | 49.7 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | trans | -63.3 | 123.6 | 171.1 | -90.3 | -30.7 | 0 | 0 | 0 | 109.6 | M783 S787 N796 P797 S798 L929 R930 | M783-D785 PolarHBondContact O-N 2.94Å; M783-D785 VanDerWaalsContact O-N 3.12Å; D785-S787 PolarHBondContact OD1-N 3.33Å; D785-S787 PolarHBondContact OD1-OG 3.37Å; D785-N796 VanDerWaalsContact CG-ND2 3.35Å; D785-N796 VanDerWaalsContact OD1-CG 3.29Å; D785-N796 PolarHBondContact OD1-ND2 2.79Å; D785-N796 VanDerWaalsContact OD1-ND2 3.14Å; D785-N796 PolarHBondContact OD1-OD1 3.2Å; D785-N796 PolarHBondContact OD2-ND2 2.91Å; D785-N796 VanDerWaalsContact OD2-ND2 3.15Å; D785-N796 PolarHBondContact OD2-OD1 3.18Å; D785-P797 VanDerWaalsContact OD1-CD 3.23Å; D785-P797 WeakPolarHBondContact OD1-CD 3.39Å; D785-P797 WeakPolarHBondContact OD1-CG 3.37Å; D785-S798 PolarHBondContact OD2-OG 3.37Å; D785-L929 CarbonylContact O-C 3.49Å; D785-R930 HydrophobicContact CB-CG 4.12Å; D785-R930 VanDerWaalsContact O-CA 3.28Å; D785-R930 WeakPolarHBondContact O-CA 3.3Å; D785-R930 PolarHBondContact O-N 3.01Å | ||
| 786 | S | 59.4 | Low | 64.8 | Low | 14 Ų | 14 | 51.5 Ų | 51.5 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | trans | -125.3 | -4.5 | 174.4 | 43.3 | 0 | 0 | 0 | 0 | 112.3 | S745 I784 L929 R930 | S745-S786 WeakPolarHBondContact CA-OG 3.22Å; S745-S786 VanDerWaalsContact CB-OG 3.26Å; S745-S786 WeakPolarHBondContact CB-OG 3.27Å; S745-S786 PolarHBondContact O-OG 2.98Å; I784-S786 PolarHBondContact O-N 3.11Å; I784-S786 VanDerWaalsContact O-N 3.12Å; I784-S786 PolarHBondContact O-OG 2.92Å; S786-L929 WeakPolarHBondContact CA-O 3.36Å; S786-R930 CarbonylContact C-O 3.46Å; S786-R930 VanDerWaalsContact CA-O 3.3Å; S786-R930 WeakPolarHBondContact CA-O 3.37Å | ||
| 787 | S | 53.2 | Low | 64.7 | Low | 38.6667 Ų | 38.6667 | 51.5 Ų | 51.5 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -90.5 | 131 | 176.8 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | D785 | D785-S787 PolarHBondContact OD1-N 3.33Å; D785-S787 PolarHBondContact OD1-OG 3.37Å |
| 788 | Y | 43.4 | Very low | 64.9 | Low | 86.3333 Ų | 86.3333 | 51 Ų | 51 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | trans | -68.7 | 148.6 | 174 | -176.1 | -93.1 | 0 | 0 | 0 | 111.4 | D790 | Y788-D790 VanDerWaalsContact C-N 3.28Å; Y788-D790 PolarHBondContact O-N 3.08Å | ||
| 789 | D | 41.6 | Very low | 64.9 | Low | 132.667 Ų | 132.667 | 53.3 Ų | 53.3 | 71% | 0.709 | 27% | 0.271 | S | S | * | . | trans | -62.6 | 77.2 | 177 | -76 | -49.6 | 0 | 0 | 0 | 113.1 | N791 R931 | D789-N791 PolarHBondContact O-N 2.72Å; D789-N791 VanDerWaalsContact O-N 3.14Å; D789-R931 IonicContact OD2-NH2 3.59Å | ||
| 790 | D | 37.3 | Very low | 64.9 | Low | 57 Ų | 57 | 56.9 Ų | 56.9 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | trans | -86.4 | 105.1 | 163.6 | -83 | -33.6 | 0 | 0 | 0 | 110.6 | Y788 N792 Q946 K949 | Y788-D790 VanDerWaalsContact C-N 3.28Å; Y788-D790 PolarHBondContact O-N 3.08Å; D790-N792 PolarHBondContact O-N 3.22Å; D790-Q946 VanDerWaalsContact CG-NE2 3.33Å; D790-Q946 PolarHBondContact OD1-NE2 3Å; D790-Q946 PolarHBondContact OD1-OE1 2.88Å; D790-Q946 PolarHBondContact OD2-NE2 2.75Å; D790-K949 IonicContact OD2-NZ 3.71Å; D790-K949 PolarHBondContact OD2-NZ 2.96Å; D790-K949 VanDerWaalsContact OD2-NZ 3.16Å | ||
| 791 | N | 38.3 | Very low | 65.1 | Low | 108.667 Ų | 108.667 | 56.2 Ų | 56.2 | 58% | 0.581 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 26.2 | 107.3 | 176 | -51.4 | -54.9 | 0 | 0 | 0 | 114.9 | D789 K793 N794 K943 | D789-N791 PolarHBondContact O-N 2.72Å; D789-N791 VanDerWaalsContact O-N 3.14Å; N791-K793 PolarHBondContact O-N 3.05Å; N791-N794 PolarHBondContact O-N 2.93Å; N791-K943 PolarHBondContact ND2-NZ 3.39Å; N791-K943 PolarHBondContact OD1-NZ 2.85Å |
| 792 | N | 44.8 | Very low | 65.5 | Low | 177 Ų | 177 | 56.1 Ų | 56.1 | 95% | 0.947 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 26.2 | 11 | 167.1 | -68.8 | -1.1 | 0 | 0 | 0 | 118 | D790 | D790-N792 PolarHBondContact O-N 3.22Š|
| 793 | K | 49.4 | Very low | 65.7 | Low | 190 Ų | 190 | 61.2 Ų | 61.2 | 83% | 0.826 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | -13 | 179.5 | -74 | -168.9 | 175.7 | -174.6 | 0 | 115.5 | N791 I795 | N791-K793 PolarHBondContact O-N 3.05Å; K793-I795 PolarHBondContact O-N 3.26Å |
| 794 | N | 57.2 | Low | 66.1 | Low | 85 Ų | 85 | 63.1 Ų | 63.1 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -78.4 | 124.3 | 174.6 | -73.2 | -6.1 | 0 | 0 | 0 | 110.4 | N791 N796 | N791-N794 PolarHBondContact O-N 2.93Å; N794-N796 PolarHBondContact O-N 3.24Å |
| 795 | I | 65 | Low | 66.9 | Low | 88.6667 Ų | 88.6667 | 62.3 Ų | 62.3 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | trans | -69.3 | 117.9 | 173.1 | -59.3 | 169.5 | 0 | 0 | 0 | 107.5 | K793 P797 Y800 | K793-I795 PolarHBondContact O-N 3.26Å; I795-P797 VanDerWaalsContact O-CD 3.24Å; I795-P797 WeakPolarHBondContact O-CD 3.37Å; I795-Y800 HydrophobicContact CG2-CD2 4.4Å; I795-Y800 HydrophobicContact CG2-CG 4.26Å | ||
| 796 | N | 75.5 | Confident | 68.1 | Low | 40.6667 Ų | 40.6667 | 62.6 Ų | 62.6 | 22% | 0.217 | 31% | 0.311 | C | S | . | . | trans | -70.7 | 113.6 | 171.2 | -178.8 | -54.1 | 0 | 0 | 0 | 109.2 | D785 N794 S798 I799 Y800 | D785-N796 VanDerWaalsContact CG-ND2 3.35Å; D785-N796 VanDerWaalsContact OD1-CG 3.29Å; D785-N796 PolarHBondContact OD1-ND2 2.79Å; D785-N796 VanDerWaalsContact OD1-ND2 3.14Å; D785-N796 PolarHBondContact OD1-OD1 3.2Å; D785-N796 PolarHBondContact OD2-ND2 2.91Å; D785-N796 VanDerWaalsContact OD2-ND2 3.15Å; D785-N796 PolarHBondContact OD2-OD1 3.18Å; N794-N796 PolarHBondContact O-N 3.24Å; N796-S798 VanDerWaalsContact C-N 3.27Å; N796-S798 PolarHBondContact O-N 3.01Å; N796-S798 WeakPolarHBondContact OD1-CB 3.11Å; N796-S798 PolarHBondContact OD1-N 3.02Å; N796-S798 VanDerWaalsContact OD1-N 3.08Å; N796-S798 PolarHBondContact OD1-OG 3.29Å; N796-I799 HydrophobicContact CB-CB 4.28Å; N796-I799 HydrophobicContact CB-CD1 4.14Å; N796-I799 HydrophobicContact CB-CG1 4.34Å; N796-I799 PolarHBondContact O-N 2.99Å; N796-I799 WeakPolarHBondContact OD1-CG1 3.38Å; N796-I799 PolarHBondContact OD1-N 3.12Å; N796-Y800 WeakPolarHBondContact O-CB 3.32Å; N796-Y800 PolarHBondContact O-N 3.1Å | ||
| 797 | P | 79.5 | Confident | 69.6 | Low | 1.33333 Ų | 1.33333 | 65.8 Ų | 65.8 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -36 | -175.5 | -8 | 13.9 | 0 | 0 | 0 | 113.1 | P748 R751 I755 D785 I795 Y800 A801 | P748-P797 HydrophobicContact CB-CG 4.37Å; R751-P797 HydrophobicContact CB-CB 4.48Å; I755-P797 HydrophobicContact CD1-CB 3.86Å; D785-P797 VanDerWaalsContact OD1-CD 3.23Å; D785-P797 WeakPolarHBondContact OD1-CD 3.39Å; D785-P797 WeakPolarHBondContact OD1-CG 3.37Å; I795-P797 VanDerWaalsContact O-CD 3.24Å; I795-P797 WeakPolarHBondContact O-CD 3.37Å; P797-Y800 PolarHBondContact O-N 3Å; P797-A801 VanDerWaalsContact O-CB 3.25Å; P797-A801 WeakPolarHBondContact O-CB 3.41Å; P797-A801 PolarHBondContact O-N 3.14Å |
| 798 | S | 82.1 | Confident | 71.4 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.007 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | -179.6 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | D785 N796 A801 L802 | D785-S798 PolarHBondContact OD2-OG 3.37Å; N796-S798 VanDerWaalsContact C-N 3.27Å; N796-S798 PolarHBondContact O-N 3.01Å; N796-S798 WeakPolarHBondContact OD1-CB 3.11Å; N796-S798 PolarHBondContact OD1-N 3.02Å; N796-S798 VanDerWaalsContact OD1-N 3.08Å; N796-S798 PolarHBondContact OD1-OG 3.29Å; S798-A801 PolarHBondContact O-N 3.08Å; S798-L802 WeakPolarHBondContact O-CB 3.3Å; S798-L802 PolarHBondContact O-N 3.24Å; S798-L802 VanDerWaalsContact O-N 3.09Å |
| 799 | I | 83.4 | Confident | 73.7 | Confident | 47.3333 Ų | 47.3333 | 63.3 Ų | 63.3 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.7 | -40.4 | 177.7 | -61.7 | 173.5 | 0 | 0 | 0 | 110.7 | N796 A801 L802 K803 I856 | N796-I799 HydrophobicContact CB-CB 4.28Å; N796-I799 HydrophobicContact CB-CD1 4.14Å; N796-I799 HydrophobicContact CB-CG1 4.34Å; N796-I799 PolarHBondContact O-N 2.99Å; N796-I799 WeakPolarHBondContact OD1-CG1 3.38Å; N796-I799 PolarHBondContact OD1-N 3.12Å; I799-A801 PolarHBondContact O-N 3.43Å; I799-L802 PolarHBondContact O-N 2.81Å; I799-K803 HydrophobicContact CG2-CD 4.25Å; I799-K803 HydrophobicContact CG2-CG 4.5Å; I799-K803 WeakPolarHBondContact O-CB 3.45Å; I799-K803 WeakPolarHBondContact O-CG 3.29Å; I799-K803 PolarHBondContact O-N 3.18Å; I799-I856 HydrophobicContact CD1-CD1 4.31Å; I799-I856 HydrophobicContact CG1-CD1 4.48Å |
| 800 | Y | 85.5 | Confident | 76 | Confident | 76.3333 Ų | 76.3333 | 58.6 Ų | 58.6 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 175 | 170.7 | -97.9 | 0 | 0 | 0 | 111.6 | C752 I755 I795 N796 P797 L802 K803 L804 | C752-Y800 HydrophobicContact CB-CD1 4.03Å; C752-Y800 HydrophobicContact CB-CE1 3.71Å; C752-Y800 WeakPolarHBondContact O-CE1 3.42Å; C752-Y800 VanDerWaalsContact SG-CD1 3.5Å; C752-Y800 WeakPolarHBondContact SG-CD1 3.27Å; I755-Y800 HydrophobicContact CB-CE1 4.38Å; I755-Y800 HydrophobicContact CG2-CD1 4.18Å; I755-Y800 HydrophobicContact CG2-CE1 4.14Å; I795-Y800 HydrophobicContact CG2-CD2 4.4Å; I795-Y800 HydrophobicContact CG2-CG 4.26Å; N796-Y800 WeakPolarHBondContact O-CB 3.32Å; N796-Y800 PolarHBondContact O-N 3.1Å; P797-Y800 PolarHBondContact O-N 3Å; Y800-L802 VanDerWaalsContact C-N 3.34Å; Y800-L802 PolarHBondContact O-N 3.22Å; Y800-K803 PolarHBondContact O-N 2.95Å; Y800-L804 HydrophobicContact CE1-CD1 3.9Å; Y800-L804 HydrophobicContact CE1-CD2 4.49Å; Y800-L804 HydrophobicContact CE2-CD1 4.42Å; Y800-L804 WeakPolarHBondContact O-CB 3.45Å; Y800-L804 PolarHBondContact O-N 3.02Å; Y800-L804 WeakPolarHBondContact OH-CD1 3.42Å |
| 801 | A | 86.7 | Confident | 78.5 | Confident | 0.25 Ų | 0.25 | 58.5 Ų | 58.5 | 0% | 0.002 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I755 M783 P797 S798 I799 K803 L804 I805 F842 | I755-A801 HydrophobicContact CD1-CB 4.37Å; I755-A801 HydrophobicContact CG2-CB 3.57Å; M783-A801 HydrophobicContact CE-CB 3.71Å; M783-A801 HydrophobicContact CG-CB 3.86Å; M783-A801 HydrophobicContact SD-CB 3.28Å; M783-A801 WeakPolarHBondContact SD-CB 3.33Å; P797-A801 VanDerWaalsContact O-CB 3.25Å; P797-A801 WeakPolarHBondContact O-CB 3.41Å; P797-A801 PolarHBondContact O-N 3.14Å; S798-A801 PolarHBondContact O-N 3.08Å; I799-A801 PolarHBondContact O-N 3.43Å; A801-K803 VanDerWaalsContact C-N 3.33Å; A801-K803 PolarHBondContact O-N 3.41Å; A801-L804 WeakPolarHBondContact O-CB 3.43Å; A801-L804 PolarHBondContact O-N 3.18Å; A801-L804 VanDerWaalsContact O-N 3.16Å; A801-I805 WeakPolarHBondContact O-CG2 3.29Å; A801-I805 PolarHBondContact O-N 3.38Å; A801-F842 HydrophobicContact CB-CD1 3.88Å; A801-F842 HydrophobicContact CB-CE1 4.07Å |
| 802 | L | 87.2 | Confident | 80.8 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 178.2 | -168.3 | 66.4 | 0 | 0 | 0 | 111.2 | S798 I799 Y800 L804 I805 W806 L839 F842 I843 I846 F860 | S798-L802 WeakPolarHBondContact O-CB 3.3Å; S798-L802 PolarHBondContact O-N 3.24Å; S798-L802 VanDerWaalsContact O-N 3.09Å; I799-L802 PolarHBondContact O-N 2.81Å; Y800-L802 VanDerWaalsContact C-N 3.34Å; Y800-L802 PolarHBondContact O-N 3.22Å; L802-L804 PolarHBondContact O-N 3.12Å; L802-I805 HydrophobicContact CD1-CG2 4.32Å; L802-I805 PolarHBondContact O-N 3.15Å; L802-W806 HydrophobicContact CD1-CE3 4.24Å; L802-W806 WeakPolarHBondContact O-CB 3.35Å; L802-W806 PolarHBondContact O-N 3.02Å; L802-L839 HydrophobicContact CD1-CD1 4.5Å; L802-F842 HydrophobicContact CD1-CB 4.45Å; L802-I843 HydrophobicContact CD1-CD1 4.46Å; L802-I843 HydrophobicContact CD1-CG1 4.08Å; L802-I846 HydrophobicContact CD2-CD1 3.63Å; L802-F860 HydrophobicContact CB-CE1 4.43Å; L802-F860 HydrophobicContact CD1-CD1 4.3Å; L802-F860 HydrophobicContact CD2-CB 3.94Å; L802-F860 HydrophobicContact CD2-CD1 3.54Å; L802-F860 VanDerWaalsContact CD2-CD1 3.5Å; L802-F860 HydrophobicContact CD2-CD2 3.52Å; L802-F860 VanDerWaalsContact CD2-CD2 3.46Å; L802-F860 HydrophobicContact CD2-CE1 3.86Å; L802-F860 HydrophobicContact CD2-CE2 3.84Å; L802-F860 HydrophobicContact CD2-CG 3.37Å; L802-F860 HydrophobicContact CD2-CZ 4Å; L802-F860 HydrophobicContact CG-CD1 3.61Å; L802-F860 HydrophobicContact CG-CD2 4.4Å; L802-F860 HydrophobicContact CG-CE1 3.67Å; L802-F860 HydrophobicContact CG-CE2 4.44Å; L802-F860 HydrophobicContact CG-CG 4.01Å; L802-F860 HydrophobicContact CG-CZ 4.1Å |
| 803 | K | 88.5 | Confident | 82.8 | Confident | 108 Ų | 108 | 46.1 Ų | 46.1 | 47% | 0.47 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -25.1 | 174.5 | -75.6 | -178.3 | 177.1 | -153.3 | 0 | 113.6 | I799 Y800 A801 P807 E859 F860 | I799-K803 HydrophobicContact CG2-CD 4.25Å; I799-K803 HydrophobicContact CG2-CG 4.5Å; I799-K803 WeakPolarHBondContact O-CB 3.45Å; I799-K803 WeakPolarHBondContact O-CG 3.29Å; I799-K803 PolarHBondContact O-N 3.18Å; Y800-K803 PolarHBondContact O-N 2.95Å; A801-K803 VanDerWaalsContact C-N 3.33Å; A801-K803 PolarHBondContact O-N 3.41Å; K803-P807 WeakPolarHBondContact O-CD 3.4Å; K803-P807 WeakPolarHBondContact O-CG 3.37Å; K803-E859 WeakPolarHBondContact CE-OE1 3.47Å; K803-E859 IonicContact NZ-OE1 2.8Å; K803-E859 PolarHBondContact NZ-OE1 2.92Å; K803-E859 IonicContact NZ-OE2 3.03Å; K803-E859 PolarHBondContact NZ-OE2 2.83Å; K803-F860 HydrophobicContact CG-CE1 4.49Å; K803-F860 HydrophobicContact CG-CZ 3.89Å |
| 804 | L | 89.1 | Confident | 84.5 | Confident | 39.25 Ų | 39.25 | 43.2 Ų | 43.2 | 21% | 0.205 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -84.2 | -40.7 | 178.7 | -165.9 | 101.3 | 0 | 0 | 0 | 112.8 | K756 V759 Y800 A801 L802 | K756-L804 HydrophobicContact CB-CD1 4.42Å; K756-L804 HydrophobicContact CB-CD2 4.09Å; K756-L804 HydrophobicContact CG-CD1 4.38Å; K756-L804 HydrophobicContact CG-CD2 4.16Å; V759-L804 HydrophobicContact CB-CD2 3.73Å; V759-L804 HydrophobicContact CB-CG 4.37Å; V759-L804 HydrophobicContact CG1-CD2 3.89Å; V759-L804 VanDerWaalsContact CG1-CD2 3.45Å; V759-L804 HydrophobicContact CG1-CG 4.03Å; V759-L804 HydrophobicContact CG2-CD2 3.97Å; Y800-L804 HydrophobicContact CE1-CD1 3.9Å; Y800-L804 HydrophobicContact CE1-CD2 4.49Å; Y800-L804 HydrophobicContact CE2-CD1 4.42Å; Y800-L804 WeakPolarHBondContact O-CB 3.45Å; Y800-L804 PolarHBondContact O-N 3.02Å; Y800-L804 WeakPolarHBondContact OH-CD1 3.42Å; A801-L804 WeakPolarHBondContact O-CB 3.43Å; A801-L804 PolarHBondContact O-N 3.18Å; A801-L804 VanDerWaalsContact O-N 3.16Å; L802-L804 PolarHBondContact O-N 3.12Å |
| 805 | I | 91.8 | Very high | 85.9 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -83.1 | -36.7 | -179.3 | -166.1 | 165.6 | 0 | 0 | 0 | 113.1 | V759 I762 F763 A801 L802 K808 F809 I838 L839 F842 | V759-I805 HydrophobicContact CG1-CB 4.32Å; V759-I805 HydrophobicContact CG1-CG1 4.45Å; V759-I805 HydrophobicContact CG2-CB 4.28Å; I762-I805 HydrophobicContact CD1-CD1 4.44Å; F763-I805 HydrophobicContact CE2-CG1 3.95Å; F763-I805 HydrophobicContact CZ-CG1 3.98Å; A801-I805 WeakPolarHBondContact O-CG2 3.29Å; A801-I805 PolarHBondContact O-N 3.38Å; L802-I805 HydrophobicContact CD1-CG2 4.32Å; L802-I805 PolarHBondContact O-N 3.15Å; I805-K808 PolarHBondContact O-N 3.15Å; I805-F809 WeakPolarHBondContact O-CB 3.47Å; I805-F809 PolarHBondContact O-N 3.23Å; I805-I838 HydrophobicContact CD1-CG2 4.49Å; I805-L839 HydrophobicContact CD1-CD1 4.26Å; I805-L839 HydrophobicContact CG1-CD1 4.42Å; I805-L839 HydrophobicContact CG2-CD1 3.95Å; I805-F842 HydrophobicContact CB-CD1 4.25Å; I805-F842 HydrophobicContact CB-CE1 3.99Å; I805-F842 HydrophobicContact CB-CZ 4.37Å; I805-F842 HydrophobicContact CD1-CD1 4.28Å; I805-F842 HydrophobicContact CD1-CD2 3.99Å; I805-F842 HydrophobicContact CD1-CE1 3.85Å; I805-F842 HydrophobicContact CD1-CE2 3.57Å; I805-F842 HydrophobicContact CD1-CG 4.35Å; I805-F842 HydrophobicContact CD1-CZ 3.5Å; I805-F842 VanDerWaalsContact CD1-CZ 3.43Å; I805-F842 HydrophobicContact CG1-CE1 4.44Å; I805-F842 HydrophobicContact CG1-CZ 4.46Å; I805-F842 HydrophobicContact CG2-CB 4.46Å; I805-F842 HydrophobicContact CG2-CD1 3.62Å; I805-F842 HydrophobicContact CG2-CE1 3.9Å; I805-F842 HydrophobicContact CG2-CG 4.11Å; I805-F842 HydrophobicContact CG2-CZ 4.44Å |
| 806 | W | 92.1 | Very high | 86.8 | Confident | 19.5 Ų | 19.5 | 38.9 Ų | 38.9 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | -169.5 | -172.8 | -115.6 | 0 | 0 | 0 | 114.9 | L802 K808 F809 M810 L839 E859 F860 P863 L864 | L802-W806 HydrophobicContact CD1-CE3 4.24Å; L802-W806 WeakPolarHBondContact O-CB 3.35Å; L802-W806 PolarHBondContact O-N 3.02Å; W806-K808 VanDerWaalsContact C-N 3.32Å; W806-K808 PolarHBondContact O-N 3.36Å; W806-F809 AromaticContact CE3-CD1 3.82Å; W806-F809 HydrophobicContact CE3-CD1 3.96Å; W806-F809 HydrophobicContact CE3-CE1 4.39Å; W806-F809 AromaticContact CZ3-CD1 3.84Å; W806-F809 HydrophobicContact CZ3-CD1 3.96Å; W806-F809 AromaticContact CZ3-CE1 3.84Å; W806-F809 HydrophobicContact CZ3-CE1 4.08Å; W806-F809 PolarHBondContact O-N 2.95Å; W806-M810 HydrophobicContact CD2-CE 4.44Å; W806-M810 HydrophobicContact CD2-CG 4.3Å; W806-M810 HydrophobicContact CH2-CE 3.45Å; W806-M810 HydrophobicContact CZ2-CE 3.25Å; W806-M810 HydrophobicContact CZ2-CG 4.33Å; W806-M810 HydrophobicContact CZ3-CE 4.06Å; W806-M810 WeakPolarHBondContact O-CB 3.34Å; W806-M810 PolarHBondContact O-N 3.16Å; W806-L839 HydrophobicContact CE3-CD1 4.39Å; W806-L839 HydrophobicContact CE3-CD2 4.3Å; W806-L839 HydrophobicContact CZ3-CD1 4.5Å; W806-L839 HydrophobicContact CZ3-CD2 3.89Å; W806-E859 PolarHBondContact NE1-O 3.17Å; W806-E859 VanDerWaalsContact NE1-O 3.13Å; W806-F860 HydrophobicContact CB-CD1 3.96Å; W806-F860 HydrophobicContact CB-CE1 3.74Å; W806-F860 AromaticContact CD1-CD1 3.4Å; W806-F860 VanDerWaalsContact CD1-CD1 3.45Å; W806-F860 AromaticContact CD1-CE1 3.47Å; W806-F860 AromaticContact CD2-CD1 3.68Å; W806-F860 HydrophobicContact CD2-CD1 3.68Å; W806-F860 HydrophobicContact CD2-CE1 4.33Å; W806-F860 AromaticContact CE2-CD1 3.72Å; W806-F860 HydrophobicContact CE3-CD1 4.35Å; W806-F860 AromaticContact CG-CD1 3.46Å; W806-F860 HydrophobicContact CG-CD1 3.46Å; W806-F860 VanDerWaalsContact CG-CD1 3.46Å; W806-F860 AromaticContact CG-CE1 3.62Å; W806-F860 HydrophobicContact CG-CE1 3.62Å; W806-F860 VanDerWaalsContact CH2-O 3.25Å; W806-F860 WeakPolarHBondContact CH2-O 3.37Å; W806-F860 HydrophobicContact CZ2-CB 4.34Å; W806-F860 HydrophobicContact CZ2-CD1 4.46Å; W806-F860 WeakPolarHBondContact CZ2-O 3.26Å; W806-F860 AromaticContact NE1-CD1 3.53Å; W806-F860 AromaticContact NE1-CE1 3.97Å; W806-P863 HydrophobicContact CZ2-CB 4.06Å; W806-P863 HydrophobicContact CZ2-CG 4.34Å; W806-L864 HydrophobicContact CH2-CB 3.94Å; W806-L864 HydrophobicContact CH2-CD1 4.37Å |
| 807 | P | 90.4 | Very high | 87.1 | Confident | 80.25 Ų | 80.25 | 40.5 Ų | 40.5 | 52% | 0.521 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 177.7 | -10.3 | 18.8 | 0 | 0 | 0 | 112.2 | K803 M810 A811 | K803-P807 WeakPolarHBondContact O-CD 3.4Å; K803-P807 WeakPolarHBondContact O-CG 3.37Å; P807-M810 PolarHBondContact O-N 3.27Å; P807-A811 WeakPolarHBondContact O-CB 3.25Å; P807-A811 PolarHBondContact O-N 3.37Å |
| 808 | K | 91.6 | Very high | 87.1 | Confident | 72.25 Ų | 72.25 | 47 Ų | 47 | 31% | 0.314 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.8 | -44.8 | 176.1 | -64.3 | -174.9 | -179.6 | -175.3 | 0 | 111.1 | V759 D760 F763 I805 W806 A811 I812 | V759-K808 HydrophobicContact CG1-CD 4.27Å; D760-K808 IonicContact OD1-NZ 3.79Å; D760-K808 PolarHBondContact OD1-NZ 3.31Å; F763-K808 HydrophobicContact CD2-CB 4.06Å; F763-K808 HydrophobicContact CD2-CD 3.4Å; F763-K808 HydrophobicContact CD2-CG 4.39Å; F763-K808 HydrophobicContact CE1-CB 3.98Å; F763-K808 HydrophobicContact CE2-CB 3.44Å; F763-K808 VanDerWaalsContact CE2-CB 3.46Å; F763-K808 HydrophobicContact CE2-CD 3.44Å; F763-K808 VanDerWaalsContact CE2-CD 3.44Å; F763-K808 HydrophobicContact CE2-CG 4.08Å; F763-K808 HydrophobicContact CG-CD 4.23Å; F763-K808 HydrophobicContact CZ-CB 3.4Å; F763-K808 VanDerWaalsContact CZ-CB 3.43Å; F763-K808 HydrophobicContact CZ-CD 4.28Å; F763-K808 HydrophobicContact CZ-CG 4.42Å; I805-K808 PolarHBondContact O-N 3.15Å; W806-K808 VanDerWaalsContact C-N 3.32Å; W806-K808 PolarHBondContact O-N 3.36Å; K808-A811 WeakPolarHBondContact O-CB 3.29Å; K808-A811 PolarHBondContact O-N 3.03Å; K808-I812 WeakPolarHBondContact O-CG1 3.38Å; K808-I812 PolarHBondContact O-N 3.18Å |
| 809 | F | 91.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 174.7 | 172.4 | -105.4 | 0 | 0 | 0 | 111.8 | I805 W806 A811 I812 V813 L832 L835 L839 L867 | I805-F809 WeakPolarHBondContact O-CB 3.47Å; I805-F809 PolarHBondContact O-N 3.23Å; W806-F809 AromaticContact CE3-CD1 3.82Å; W806-F809 HydrophobicContact CE3-CD1 3.96Å; W806-F809 HydrophobicContact CE3-CE1 4.39Å; W806-F809 AromaticContact CZ3-CD1 3.84Å; W806-F809 HydrophobicContact CZ3-CD1 3.96Å; W806-F809 AromaticContact CZ3-CE1 3.84Å; W806-F809 HydrophobicContact CZ3-CE1 4.08Å; W806-F809 PolarHBondContact O-N 2.95Å; F809-A811 VanDerWaalsContact C-N 3.29Å; F809-A811 PolarHBondContact O-N 3.12Å; F809-I812 PolarHBondContact O-N 3.18Å; F809-I812 VanDerWaalsContact O-N 3.15Å; F809-V813 HydrophobicContact CD1-CG2 4.27Å; F809-V813 HydrophobicContact CD2-CG2 4.36Å; F809-V813 HydrophobicContact CE1-CG2 3.86Å; F809-V813 HydrophobicContact CE2-CG2 3.96Å; F809-V813 HydrophobicContact CZ-CG2 3.69Å; F809-V813 WeakPolarHBondContact O-CG2 3.37Å; F809-V813 PolarHBondContact O-N 3.18Å; F809-L832 HydrophobicContact CE2-CD1 4.42Å; F809-L835 HydrophobicContact CD2-CB 3.96Å; F809-L835 HydrophobicContact CD2-CD1 4.13Å; F809-L835 HydrophobicContact CD2-CG 4.49Å; F809-L835 HydrophobicContact CE2-CB 4.03Å; F809-L839 HydrophobicContact CD1-CD2 3.93Å; F809-L839 HydrophobicContact CD2-CD2 4.29Å; F809-L839 HydrophobicContact CE1-CD2 3.77Å; F809-L839 HydrophobicContact CE2-CD2 4.15Å; F809-L839 HydrophobicContact CG-CD2 4.19Å; F809-L839 HydrophobicContact CZ-CD2 3.88Å; F809-L867 HydrophobicContact CE1-CD2 3.72Å; F809-L867 HydrophobicContact CZ-CD2 3.58Å |
| 810 | M | 89.9 | Confident | 86.4 | Confident | 33.25 Ų | 33.25 | 52.3 Ų | 52.3 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67 | -27.3 | 179.7 | -78.4 | -66.2 | 177.8 | 0 | 0 | 113.4 | W806 P807 V813 K814 P863 | W806-M810 HydrophobicContact CD2-CE 4.44Å; W806-M810 HydrophobicContact CD2-CG 4.3Å; W806-M810 HydrophobicContact CH2-CE 3.45Å; W806-M810 HydrophobicContact CZ2-CE 3.25Å; W806-M810 HydrophobicContact CZ2-CG 4.33Å; W806-M810 HydrophobicContact CZ3-CE 4.06Å; W806-M810 WeakPolarHBondContact O-CB 3.34Å; W806-M810 PolarHBondContact O-N 3.16Å; P807-M810 PolarHBondContact O-N 3.27Å; M810-V813 PolarHBondContact O-N 3.37Å; M810-V813 HydrophobicContact SD-CB 4.42Å; M810-V813 HydrophobicContact SD-CG1 4.48Å; M810-K814 WeakPolarHBondContact O-CB 3.41Å; M810-K814 WeakPolarHBondContact O-CD 3.31Å; M810-K814 VanDerWaalsContact O-CG 3.27Å; M810-K814 WeakPolarHBondContact O-CG 3.43Å; M810-K814 PolarHBondContact O-N 3.15Å; M810-K814 VanDerWaalsContact O-N 3.08Å; M810-P863 HydrophobicContact CE-CB 3.84Å |
| 811 | A | 88.2 | Confident | 85.8 | Confident | 56.25 Ų | 56.25 | 50.7 Ų | 50.7 | 47% | 0.465 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P807 K808 F809 K814 E815 | P807-A811 WeakPolarHBondContact O-CB 3.25Å; P807-A811 PolarHBondContact O-N 3.37Å; K808-A811 WeakPolarHBondContact O-CB 3.29Å; K808-A811 PolarHBondContact O-N 3.03Å; F809-A811 VanDerWaalsContact C-N 3.29Å; F809-A811 PolarHBondContact O-N 3.12Å; A811-K814 PolarHBondContact O-N 3.21Å; A811-E815 WeakPolarHBondContact O-CB 3.4Å; A811-E815 PolarHBondContact O-N 3.15Å |
| 812 | I | 86.8 | Confident | 85.4 | Confident | 17.5 Ų | 17.5 | 51.3 Ų | 51.3 | 9% | 0.09 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 177 | -62.7 | -178.2 | 0 | 0 | 0 | 111.4 | F763 K808 F809 K814 E815 I816 R831 L835 | F763-I812 HydrophobicContact CD1-CD1 3.68Å; F763-I812 HydrophobicContact CE1-CD1 3.64Å; K808-I812 WeakPolarHBondContact O-CG1 3.38Å; K808-I812 PolarHBondContact O-N 3.18Å; F809-I812 PolarHBondContact O-N 3.18Å; F809-I812 VanDerWaalsContact O-N 3.15Å; I812-K814 VanDerWaalsContact C-N 3.28Å; I812-K814 PolarHBondContact O-N 3.12Å; I812-E815 WeakPolarHBondContact O-CB 3.4Å; I812-E815 PolarHBondContact O-N 2.9Å; I812-I816 HydrophobicContact CG2-CD1 3.7Å; I812-I816 HydrophobicContact CG2-CG1 4.33Å; I812-I816 WeakPolarHBondContact O-CB 3.32Å; I812-I816 VanDerWaalsContact O-CG1 3.27Å; I812-I816 WeakPolarHBondContact O-CG1 3.2Å; I812-I816 PolarHBondContact O-N 3.04Å; I812-R831 HydrophobicContact CG2-CB 4.43Å; I812-L835 HydrophobicContact CD1-CD1 3.88Å; I812-L835 HydrophobicContact CG2-CD1 4.42Å |
| 813 | V | 86.6 | Confident | 84.7 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 175.5 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | F809 M810 E817 L832 L867 | F809-V813 HydrophobicContact CD1-CG2 4.27Å; F809-V813 HydrophobicContact CD2-CG2 4.36Å; F809-V813 HydrophobicContact CE1-CG2 3.86Å; F809-V813 HydrophobicContact CE2-CG2 3.96Å; F809-V813 HydrophobicContact CZ-CG2 3.69Å; F809-V813 WeakPolarHBondContact O-CG2 3.37Å; F809-V813 PolarHBondContact O-N 3.18Å; M810-V813 PolarHBondContact O-N 3.37Å; M810-V813 HydrophobicContact SD-CB 4.42Å; M810-V813 HydrophobicContact SD-CG1 4.48Å; V813-E817 VanDerWaalsContact O-CB 3.26Å; V813-E817 WeakPolarHBondContact O-CB 3.31Å; V813-E817 PolarHBondContact O-N 3.25Å; V813-L832 HydrophobicContact CG2-CD1 4.3Å; V813-L867 HydrophobicContact CG1-CD1 3.75Å; V813-L867 HydrophobicContact CG1-CD2 4.22Å; V813-L867 HydrophobicContact CG2-CD2 3.94Å |
| 814 | K | 86.6 | Confident | 83.8 | Confident | 129.75 Ų | 129.75 | 55.6 Ų | 55.6 | 56% | 0.564 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -70.5 | -37.3 | 176.2 | -73.2 | 173.6 | -177.7 | -178.8 | 0 | 112.9 | M810 A811 I812 E817 N818 | M810-K814 WeakPolarHBondContact O-CB 3.41Å; M810-K814 WeakPolarHBondContact O-CD 3.31Å; M810-K814 VanDerWaalsContact O-CG 3.27Å; M810-K814 WeakPolarHBondContact O-CG 3.43Å; M810-K814 PolarHBondContact O-N 3.15Å; M810-K814 VanDerWaalsContact O-N 3.08Å; A811-K814 PolarHBondContact O-N 3.21Å; I812-K814 VanDerWaalsContact C-N 3.28Å; I812-K814 PolarHBondContact O-N 3.12Å; K814-E817 PolarHBondContact O-N 2.93Å; K814-N818 WeakPolarHBondContact O-CB 3.31Å; K814-N818 PolarHBondContact O-N 3.21Å; K814-N818 PolarHBondContact O-ND2 3.07Å; K814-N818 VanDerWaalsContact O-ND2 3.15Å; K814-N818 PolarHBondContact O-OD1 3.47Å |
| 815 | E | 86.6 | Confident | 82.8 | Confident | 79.75 Ų | 79.75 | 59.6 Ų | 59.6 | 37% | 0.373 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.8 | -54.6 | 172.4 | -174.3 | -170.3 | 152.5 | 0 | 0 | 110.1 | A811 I812 E817 N818 D819 R831 | A811-E815 WeakPolarHBondContact O-CB 3.4Å; A811-E815 PolarHBondContact O-N 3.15Å; I812-E815 WeakPolarHBondContact O-CB 3.4Å; I812-E815 PolarHBondContact O-N 2.9Å; E815-E817 VanDerWaalsContact C-N 3.29Å; E815-E817 PolarHBondContact O-N 2.96Å; E815-N818 PolarHBondContact O-N 3.2Å; E815-D819 PolarHBondContact O-N 3.22Å; E815-D819 VanDerWaalsContact O-N 3.09Å; E815-R831 VanDerWaalsContact CD-NH2 3.31Å; E815-R831 IonicContact OE1-CZ 3.64Å; E815-R831 IonicContact OE1-NH1 2.84Å; E815-R831 PolarHBondContact OE1-NH1 3.15Å; E815-R831 IonicContact OE1-NH2 3.32Å; E815-R831 PolarHBondContact OE1-NH2 3.18Å; E815-R831 VanDerWaalsContact OE1-NH2 3.11Å; E815-R831 IonicContact OE2-CZ 3.03Å; E815-R831 IonicContact OE2-NH1 3.14Å; E815-R831 PolarHBondContact OE2-NH1 2.95Å; E815-R831 IonicContact OE2-NH2 3.4Å; E815-R831 PolarHBondContact OE2-NH2 2.99Å |
| 816 | I | 83.9 | Confident | 81.7 | Confident | 2.25 Ų | 2.25 | 62.5 Ų | 62.5 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -34.2 | 178.3 | -63.8 | 168.5 | 0 | 0 | 0 | 111.9 | I812 G820 S821 Y822 E829 L832 | I812-I816 HydrophobicContact CG2-CD1 3.7Å; I812-I816 HydrophobicContact CG2-CG1 4.33Å; I812-I816 WeakPolarHBondContact O-CB 3.32Å; I812-I816 VanDerWaalsContact O-CG1 3.27Å; I812-I816 WeakPolarHBondContact O-CG1 3.2Å; I812-I816 PolarHBondContact O-N 3.04Å; I816-G820 WeakPolarHBondContact O-CA 3.43Å; I816-G820 PolarHBondContact O-N 3.07Å; I816-S821 PolarHBondContact O-N 3Å; I816-S821 VanDerWaalsContact O-N 3.12Å; I816-Y822 HydrophobicContact CG2-CD1 3.74Å; I816-Y822 HydrophobicContact CG2-CD2 4.17Å; I816-Y822 HydrophobicContact CG2-CE1 4.01Å; I816-Y822 HydrophobicContact CG2-CE2 4.39Å; I816-Y822 HydrophobicContact CG2-CG 3.82Å; I816-E829 HydrophobicContact CD1-CB 4.36Å; I816-E829 HydrophobicContact CD1-CG 4Å; I816-E829 WeakPolarHBondContact CD1-OE2 3.45Å; I816-E829 HydrophobicContact CG1-CG 4.3Å; I816-L832 HydrophobicContact CD1-CB 3.77Å; I816-L832 HydrophobicContact CD1-CD2 4.45Å |
| 817 | E | 80.9 | Confident | 80.7 | Confident | 74.75 Ų | 74.75 | 68.3 Ų | 68.3 | 35% | 0.349 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.9 | -43 | 175.9 | -173.9 | 159.9 | -156.7 | 0 | 0 | 112.4 | V813 K814 E815 D819 G820 Y822 K870 | V813-E817 VanDerWaalsContact O-CB 3.26Å; V813-E817 WeakPolarHBondContact O-CB 3.31Å; V813-E817 PolarHBondContact O-N 3.25Å; K814-E817 PolarHBondContact O-N 2.93Å; E815-E817 VanDerWaalsContact C-N 3.29Å; E815-E817 PolarHBondContact O-N 2.96Å; E817-D819 VanDerWaalsContact C-N 3.26Å; E817-D819 PolarHBondContact O-N 3.05Å; E817-G820 PolarHBondContact O-N 3.2Å; E817-G820 VanDerWaalsContact O-N 3.15Å; E817-Y822 HydrophobicContact CB-CE2 4.22Å; E817-Y822 WeakPolarHBondContact CB-OH 3.34Å; E817-Y822 HydrophobicContact CG-CE2 4.45Å; E817-K870 IonicContact OE1-NZ 3.08Å; E817-K870 PolarHBondContact OE1-NZ 3.28Å; E817-K870 IonicContact OE2-NZ 3.14Å; E817-K870 PolarHBondContact OE2-NZ 3.09Å |
| 818 | N | 79.3 | Confident | 80.2 | Confident | 138.25 Ų | 138.25 | 65.1 Ų | 65.1 | 74% | 0.739 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | 177 | -68.7 | -23.7 | 0 | 0 | 0 | 111.7 | K814 E815 G820 | K814-N818 WeakPolarHBondContact O-CB 3.31Å; K814-N818 PolarHBondContact O-N 3.21Å; K814-N818 PolarHBondContact O-ND2 3.07Å; K814-N818 VanDerWaalsContact O-ND2 3.15Å; K814-N818 PolarHBondContact O-OD1 3.47Å; E815-N818 PolarHBondContact O-N 3.2Å; N818-G820 VanDerWaalsContact C-N 3.3Å; N818-G820 PolarHBondContact O-N 2.93Å |
| 819 | D | 78.5 | Confident | 79.7 | Confident | 111.5 Ų | 111.5 | 63.1 Ų | 63.1 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -76.6 | -17.6 | 177.4 | -68.6 | -12.3 | 0 | 0 | 0 | 112.8 | E815 E817 S821 | E815-D819 PolarHBondContact O-N 3.22Å; E815-D819 VanDerWaalsContact O-N 3.09Å; E817-D819 VanDerWaalsContact C-N 3.26Å; E817-D819 PolarHBondContact O-N 3.05Å; D819-S821 VanDerWaalsContact C-N 3.34Å; D819-S821 WeakPolarHBondContact CB-OG 3.28Å; D819-S821 PolarHBondContact O-N 2.68Å |
| 820 | G | 71.4 | Confident | 79.1 | Confident | 49.25 Ų | 49.25 | 66.1 Ų | 66.1 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 24.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I816 E817 N818 Y822 | I816-G820 WeakPolarHBondContact O-CA 3.43Å; I816-G820 PolarHBondContact O-N 3.07Å; E817-G820 PolarHBondContact O-N 3.2Å; E817-G820 VanDerWaalsContact O-N 3.15Å; N818-G820 VanDerWaalsContact C-N 3.3Å; N818-G820 PolarHBondContact O-N 2.93Å; G820-Y822 PolarHBondContact O-N 3.4Å |
| 821 | S | 74.8 | Confident | 78.9 | Confident | 42.5 Ų | 42.5 | 68.5 Ų | 68.5 | 30% | 0.297 | 35% | 0.346 | S | S | . | . | trans | -99.9 | 14.7 | -163 | 59.5 | 0 | 0 | 0 | 0 | 115 | I816 D819 V823 | I816-S821 PolarHBondContact O-N 3Å; I816-S821 VanDerWaalsContact O-N 3.12Å; D819-S821 VanDerWaalsContact C-N 3.34Å; D819-S821 WeakPolarHBondContact CB-OG 3.28Å; D819-S821 PolarHBondContact O-N 2.68Å; S821-V823 PolarHBondContact O-N 3.12Å; S821-V823 VanDerWaalsContact O-N 3.09Å | ||
| 822 | Y | 77.8 | Confident | 78.8 | Confident | 12.75 Ų | 12.75 | 65.9 Ų | 65.9 | 5% | 0.05 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -48.2 | -40.4 | -179 | -72.6 | -82.2 | 0 | 0 | 0 | 114.5 | I816 E817 G820 A828 E829 L832 K870 L871 L874 Y897 | I816-Y822 HydrophobicContact CG2-CD1 3.74Å; I816-Y822 HydrophobicContact CG2-CD2 4.17Å; I816-Y822 HydrophobicContact CG2-CE1 4.01Å; I816-Y822 HydrophobicContact CG2-CE2 4.39Å; I816-Y822 HydrophobicContact CG2-CG 3.82Å; E817-Y822 HydrophobicContact CB-CE2 4.22Å; E817-Y822 WeakPolarHBondContact CB-OH 3.34Å; E817-Y822 HydrophobicContact CG-CE2 4.45Å; G820-Y822 PolarHBondContact O-N 3.4Å; Y822-A828 WeakPolarHBondContact O-CA 3.42Å; Y822-E829 PolarHBondContact O-N 3.05Å; Y822-E829 VanDerWaalsContact O-N 3.13Å; Y822-L832 HydrophobicContact CD1-CD2 3.64Å; Y822-L832 HydrophobicContact CE1-CD2 4.11Å; Y822-K870 PolarHBondContact OH-NZ 3.17Å; Y822-L871 HydrophobicContact CD1-CD2 3.95Å; Y822-L871 HydrophobicContact CE1-CD2 4.1Å; Y822-L874 HydrophobicContact CD1-CD1 4.14Å; Y822-L874 HydrophobicContact CD2-CD1 3.79Å; Y822-L874 HydrophobicContact CE1-CD1 4.45Å; Y822-L874 HydrophobicContact CE2-CD1 4.29Å; Y822-L874 HydrophobicContact CG-CD1 3.7Å; Y822-Y897 VanDerWaalsContact CE2-OH 3.24Å; Y822-Y897 WeakPolarHBondContact CE2-OH 3.19Å |
| 823 | V | 71.7 | Confident | 78.7 | Confident | 26.75 Ų | 26.75 | 65.9 Ų | 65.9 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 124.2 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | S821 R827 V901 N902 C904 L907 | S821-V823 PolarHBondContact O-N 3.12Å; S821-V823 VanDerWaalsContact O-N 3.09Å; V823-R827 CarbonylContact C-O 3.38Å; V823-R827 VanDerWaalsContact CA-O 3.27Å; V823-R827 WeakPolarHBondContact CA-O 3.34Å; V823-R827 WeakPolarHBondContact CG1-O 3.27Å; V823-V901 HydrophobicContact CB-CG1 4.19Å; V823-V901 HydrophobicContact CG2-CG1 4.38Å; V823-N902 HydrophobicContact CG1-CB 4.11Å; V823-N902 WeakPolarHBondContact CG1-O 3.35Å; V823-C904 HydrophobicContact CG1-CB 3.96Å; V823-C904 HydrophobicContact CG2-CB 3.94Å; V823-L907 HydrophobicContact CG2-CD2 3.94Å |
| 824 | Y | 70 | Confident | 78.6 | Confident | 172.25 Ų | 172.25 | 65.9 Ų | 65.9 | 68% | 0.675 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 122.7 | 174.5 | -173.1 | -108.6 | 0 | 0 | 0 | 109.4 | Y826 R827 | Y824-Y826 PolarHBondContact O-N 3.12Å; Y824-R827 PolarHBondContact N-O 3.17Å; Y824-R827 WeakPolarHBondContact O-CB 3.32Å; Y824-R827 PolarHBondContact O-N 2.96Å |
| 825 | H | 67.1 | Low | 78.7 | Confident | 124 Ų | 124 | 60 Ų | 60 | 57% | 0.574 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.9 | 56.8 | -175.2 | -65.6 | -61.3 | 0 | 0 | 0 | 114.3 | R827 | H825-R827 PolarHBondContact O-N 3.08Å; H825-R827 VanDerWaalsContact O-N 3.13Å |
| 826 | Y | 68.9 | Low | 78.7 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 3.4 | -178.6 | -43.6 | -78 | 0 | 0 | 0 | 116 | Y824 N902 C904 I1038 E1039 N1042 | Y824-Y826 PolarHBondContact O-N 3.12Å; Y826-N902 HydrophobicContact CD1-CB 3.75Å; Y826-N902 HydrophobicContact CE1-CB 3.95Å; Y826-N902 WeakPolarHBondContact CE1-ND2 3.32Å; Y826-N902 HydrophobicContact CG-CB 4.21Å; Y826-N902 VanDerWaalsContact CZ-ND2 3.25Å; Y826-C904 PolarHBondContact O-SG 3.18Å; Y826-C904 VanDerWaalsContact O-SG 3.35Å; Y826-I1038 HydrophobicContact CD2-CG2 4.39Å; Y826-I1038 HydrophobicContact CE1-CG2 3.99Å; Y826-I1038 HydrophobicContact CE2-CG2 4.22Å; Y826-E1039 HydrophobicContact CE1-CB 4.28Å; Y826-E1039 VanDerWaalsContact CE1-OE2 3.27Å; Y826-E1039 WeakPolarHBondContact CE1-OE2 3.31Å; Y826-N1042 WeakPolarHBondContact CD1-ND2 3.27Å |
| 827 | R | 71.7 | Confident | 78.8 | Confident | 140.75 Ų | 140.75 | 56.2 Ų | 56.2 | 53% | 0.531 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.8 | 175.2 | -63.4 | -177.1 | 176.1 | -175 | -1.5 | 110.5 | P717 V823 Y824 H825 | P717-R827 PolarHBondContact O-NH1 3.23Å; P717-R827 PolarHBondContact O-NH2 3.32Å; V823-R827 CarbonylContact C-O 3.38Å; V823-R827 VanDerWaalsContact CA-O 3.27Å; V823-R827 WeakPolarHBondContact CA-O 3.34Å; V823-R827 WeakPolarHBondContact CG1-O 3.27Å; Y824-R827 PolarHBondContact N-O 3.17Å; Y824-R827 WeakPolarHBondContact O-CB 3.32Å; Y824-R827 PolarHBondContact O-N 2.96Å; H825-R827 PolarHBondContact O-N 3.08Å; H825-R827 VanDerWaalsContact O-N 3.13Å |
| 828 | A | 79.3 | Confident | 79 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 12% | 0.116 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 151.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y822 L833 C904 L907 | Y822-A828 WeakPolarHBondContact O-CA 3.42Å; A828-L833 HydrophobicContact CB-CB 4.31Å; A828-L833 HydrophobicContact CB-CD1 4.3Å; A828-L833 HydrophobicContact CB-CD2 4.41Å; A828-C904 PolarHBondContact N-SG 3.3Å; A828-L907 HydrophobicContact CB-CB 4.15Å; A828-L907 HydrophobicContact CB-CD1 4.35Å |
| 829 | E | 81.3 | Confident | 79.5 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | trans | -59.7 | 127 | 167.6 | -164.8 | -72.4 | 136.5 | 0 | 0 | 109.6 | I816 Y822 R831 L832 L833 | I816-E829 HydrophobicContact CD1-CB 4.36Å; I816-E829 HydrophobicContact CD1-CG 4Å; I816-E829 WeakPolarHBondContact CD1-OE2 3.45Å; I816-E829 HydrophobicContact CG1-CG 4.3Å; Y822-E829 PolarHBondContact O-N 3.05Å; Y822-E829 VanDerWaalsContact O-N 3.13Å; E829-R831 VanDerWaalsContact CD-N 3.3Å; E829-R831 WeakPolarHBondContact OE1-CB 3.39Å; E829-R831 WeakPolarHBondContact OE1-CD 3.28Å; E829-R831 VanDerWaalsContact OE1-CG 3.28Å; E829-R831 WeakPolarHBondContact OE1-CG 3.3Å; E829-R831 IonicContact OE1-CZ 2.86Å; E829-R831 PolarHBondContact OE1-N 2.96Å; E829-R831 IonicContact OE1-NE 3.99Å; E829-R831 PolarHBondContact OE1-NE 3.2Å; E829-R831 IonicContact OE1-NH2 2.63Å; E829-R831 VanDerWaalsContact OE2-CA 3.29Å; E829-R831 WeakPolarHBondContact OE2-CA 3.39Å; E829-R831 VanDerWaalsContact OE2-CB 3.3Å; E829-R831 WeakPolarHBondContact OE2-CB 3.37Å; E829-R831 PolarHBondContact OE2-N 2.95Å; E829-R831 VanDerWaalsContact OE2-N 3.09Å; E829-L832 HydrophobicContact CB-CB 4.41Å; E829-L832 PolarHBondContact O-N 3.19Å; E829-L832 VanDerWaalsContact OE2-CB 3.27Å; E829-L832 WeakPolarHBondContact OE2-CB 3.39Å; E829-L832 PolarHBondContact OE2-N 3.3Å; E829-L833 WeakPolarHBondContact O-CB 3.36Å; E829-L833 PolarHBondContact O-N 2.94Å | ||
| 830 | P | 79.7 | Confident | 79.8 | Confident | 63 Ų | 63 | 40.8 Ų | 40.8 | 41% | 0.409 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71.4 | -31 | -168.1 | 26 | -35.3 | 0 | 0 | 0 | 114.6 | Q766 L833 S834 | Q766-P830 VanDerWaalsContact NE2-CB 3.27Å; P830-L833 PolarHBondContact O-N 3Å; P830-S834 WeakPolarHBondContact O-CB 3.4Å; P830-S834 PolarHBondContact O-N 3.08Å; P830-S834 PolarHBondContact O-OG 3.24Å |
| 831 | R | 85 | Confident | 80.4 | Confident | 84.75 Ų | 84.75 | 38.4 Ų | 38.4 | 32% | 0.32 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.6 | -45.4 | 176 | -61.1 | 162.4 | 44.3 | -169.9 | -1.2 | 110 | I812 E815 E829 S834 L835 | I812-R831 HydrophobicContact CG2-CB 4.43Å; E815-R831 VanDerWaalsContact CD-NH2 3.31Å; E815-R831 IonicContact OE1-CZ 3.64Å; E815-R831 IonicContact OE1-NH1 2.84Å; E815-R831 PolarHBondContact OE1-NH1 3.15Å; E815-R831 IonicContact OE1-NH2 3.32Å; E815-R831 PolarHBondContact OE1-NH2 3.18Å; E815-R831 VanDerWaalsContact OE1-NH2 3.11Å; E815-R831 IonicContact OE2-CZ 3.03Å; E815-R831 IonicContact OE2-NH1 3.14Å; E815-R831 PolarHBondContact OE2-NH1 2.95Å; E815-R831 IonicContact OE2-NH2 3.4Å; E815-R831 PolarHBondContact OE2-NH2 2.99Å; E829-R831 VanDerWaalsContact CD-N 3.3Å; E829-R831 WeakPolarHBondContact OE1-CB 3.39Å; E829-R831 WeakPolarHBondContact OE1-CD 3.28Å; E829-R831 VanDerWaalsContact OE1-CG 3.28Å; E829-R831 WeakPolarHBondContact OE1-CG 3.3Å; E829-R831 IonicContact OE1-CZ 2.86Å; E829-R831 PolarHBondContact OE1-N 2.96Å; E829-R831 IonicContact OE1-NE 3.99Å; E829-R831 PolarHBondContact OE1-NE 3.2Å; E829-R831 IonicContact OE1-NH2 2.63Å; E829-R831 VanDerWaalsContact OE2-CA 3.29Å; E829-R831 WeakPolarHBondContact OE2-CA 3.39Å; E829-R831 VanDerWaalsContact OE2-CB 3.3Å; E829-R831 WeakPolarHBondContact OE2-CB 3.37Å; E829-R831 PolarHBondContact OE2-N 2.95Å; E829-R831 VanDerWaalsContact OE2-N 3.09Å; R831-S834 WeakPolarHBondContact CA-OG 3.31Å; R831-S834 PolarHBondContact O-N 2.95Å; R831-S834 PolarHBondContact O-OG 3.27Å; R831-L835 VanDerWaalsContact O-CB 3.26Å; R831-L835 WeakPolarHBondContact O-CB 3.32Å; R831-L835 VanDerWaalsContact O-CD1 3.28Å; R831-L835 WeakPolarHBondContact O-CD1 3.35Å; R831-L835 VanDerWaalsContact O-CG 3.22Å; R831-L835 WeakPolarHBondContact O-CG 3.27Å; R831-L835 PolarHBondContact O-N 3.22Å |
| 832 | L | 86.9 | Confident | 81 | Confident | 0.75 Ų | 0.75 | 36.4 Ų | 36.4 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 174.9 | 177.5 | 63.2 | 0 | 0 | 0 | 111 | F809 V813 I816 Y822 E829 S834 L835 L836 L871 L907 | F809-L832 HydrophobicContact CE2-CD1 4.42Å; V813-L832 HydrophobicContact CG2-CD1 4.3Å; I816-L832 HydrophobicContact CD1-CB 3.77Å; I816-L832 HydrophobicContact CD1-CD2 4.45Å; Y822-L832 HydrophobicContact CD1-CD2 3.64Å; Y822-L832 HydrophobicContact CE1-CD2 4.11Å; E829-L832 HydrophobicContact CB-CB 4.41Å; E829-L832 PolarHBondContact O-N 3.19Å; E829-L832 VanDerWaalsContact OE2-CB 3.27Å; E829-L832 WeakPolarHBondContact OE2-CB 3.39Å; E829-L832 PolarHBondContact OE2-N 3.3Å; L832-S834 PolarHBondContact O-N 3.21Å; L832-L835 PolarHBondContact O-N 3.15Å; L832-L836 HydrophobicContact CD1-CD1 4.09Å; L832-L836 HydrophobicContact CD1-CG 4.11Å; L832-L836 HydrophobicContact CG-CD1 3.95Å; L832-L836 HydrophobicContact CG-CG 4.4Å; L832-L836 WeakPolarHBondContact O-CB 3.44Å; L832-L836 VanDerWaalsContact O-CG 3.24Å; L832-L836 WeakPolarHBondContact O-CG 3.41Å; L832-L836 PolarHBondContact O-N 3.15Å; L832-L871 HydrophobicContact CD2-CD2 4.25Å; L832-L907 HydrophobicContact CD2-CD1 4.46Å |
| 833 | L | 83.9 | Confident | 81.4 | Confident | 17.25 Ų | 17.25 | 35.8 Ų | 35.8 | 9% | 0.09 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 179.8 | -173.1 | 67.8 | 0 | 0 | 0 | 111.5 | P769 A828 E829 P830 L836 Y837 A906 A910 | P769-L833 HydrophobicContact CG-CD2 4.15Å; A828-L833 HydrophobicContact CB-CB 4.31Å; A828-L833 HydrophobicContact CB-CD1 4.3Å; A828-L833 HydrophobicContact CB-CD2 4.41Å; E829-L833 WeakPolarHBondContact O-CB 3.36Å; E829-L833 PolarHBondContact O-N 2.94Å; P830-L833 PolarHBondContact O-N 3Å; L833-L836 PolarHBondContact O-N 3.32Å; L833-Y837 HydrophobicContact CD1-CE2 3.87Å; L833-Y837 HydrophobicContact CD2-CE2 4.42Å; L833-Y837 HydrophobicContact CG-CD2 4.37Å; L833-Y837 HydrophobicContact CG-CE2 3.91Å; L833-Y837 WeakPolarHBondContact O-CD2 3.33Å; L833-Y837 PolarHBondContact O-N 3.16Å; L833-A906 HydrophobicContact CD1-CB 4.39Å; L833-A906 WeakPolarHBondContact CD1-O 3.22Å; L833-A906 HydrophobicContact CD2-CB 4.43Å; L833-A910 HydrophobicContact CD1-CB 3.78Å |
| 834 | S | 84.5 | Confident | 81.8 | Confident | 7.75 Ų | 7.75 | 34.7 Ų | 34.7 | 5% | 0.054 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.4 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | W767 S772 P830 R831 L832 L836 Y837 I838 | W767-S834 VanDerWaalsContact O-CB 3.28Å; W767-S834 WeakPolarHBondContact O-CB 3.27Å; S772-S834 WeakPolarHBondContact OG-CA 3.35Å; S772-S834 VanDerWaalsContact OG-CB 3.27Å; S772-S834 WeakPolarHBondContact OG-CB 3.18Å; P830-S834 WeakPolarHBondContact O-CB 3.4Å; P830-S834 PolarHBondContact O-N 3.08Å; P830-S834 PolarHBondContact O-OG 3.24Å; R831-S834 WeakPolarHBondContact CA-OG 3.31Å; R831-S834 PolarHBondContact O-N 2.95Å; R831-S834 PolarHBondContact O-OG 3.27Å; L832-S834 PolarHBondContact O-N 3.21Å; S834-L836 VanDerWaalsContact C-N 3.33Å; S834-L836 PolarHBondContact O-N 3.18Å; S834-Y837 WeakPolarHBondContact O-CB 3.5Å; S834-Y837 PolarHBondContact O-N 3.09Å; S834-Y837 VanDerWaalsContact O-N 3.11Å; S834-I838 WeakPolarHBondContact O-CG1 3.37Å; S834-I838 PolarHBondContact O-N 3.25Å; S834-I838 VanDerWaalsContact O-N 3.1Å |
| 835 | L | 89.1 | Confident | 82.3 | Confident | 6.5 Ų | 6.5 | 26.8 Ų | 26.8 | 3% | 0.034 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 178 | -71.3 | 166.4 | 0 | 0 | 0 | 112.9 | I762 F763 F809 I812 R831 L832 Y837 I838 L839 | I762-L835 HydrophobicContact CG2-CD2 3.73Å; F763-L835 HydrophobicContact CD1-CD1 4.48Å; F763-L835 HydrophobicContact CD1-CD2 4.43Å; F763-L835 HydrophobicContact CE1-CD1 3.93Å; F763-L835 HydrophobicContact CE1-CD2 3.76Å; F763-L835 HydrophobicContact CE1-CG 4.38Å; F763-L835 HydrophobicContact CZ-CD2 4.03Å; F809-L835 HydrophobicContact CD2-CB 3.96Å; F809-L835 HydrophobicContact CD2-CD1 4.13Å; F809-L835 HydrophobicContact CD2-CG 4.49Å; F809-L835 HydrophobicContact CE2-CB 4.03Å; I812-L835 HydrophobicContact CD1-CD1 3.88Å; I812-L835 HydrophobicContact CG2-CD1 4.42Å; R831-L835 VanDerWaalsContact O-CB 3.26Å; R831-L835 WeakPolarHBondContact O-CB 3.32Å; R831-L835 VanDerWaalsContact O-CD1 3.28Å; R831-L835 WeakPolarHBondContact O-CD1 3.35Å; R831-L835 VanDerWaalsContact O-CG 3.22Å; R831-L835 WeakPolarHBondContact O-CG 3.27Å; R831-L835 PolarHBondContact O-N 3.22Å; L832-L835 PolarHBondContact O-N 3.15Å; L835-Y837 VanDerWaalsContact C-N 3.29Å; L835-Y837 PolarHBondContact O-N 3.1Å; L835-I838 PolarHBondContact O-N 2.99Å; L835-I838 VanDerWaalsContact O-N 3.11Å; L835-L839 VanDerWaalsContact O-CB 3.29Å; L835-L839 WeakPolarHBondContact O-CB 3.22Å; L835-L839 PolarHBondContact O-N 3.07Å |
| 836 | L | 87.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.2 | -23.8 | 174.1 | -73.1 | 169.7 | 0 | 0 | 0 | 113 | L832 L833 S834 P840 L871 L907 A910 F914 | L832-L836 HydrophobicContact CD1-CD1 4.09Å; L832-L836 HydrophobicContact CD1-CG 4.11Å; L832-L836 HydrophobicContact CG-CD1 3.95Å; L832-L836 HydrophobicContact CG-CG 4.4Å; L832-L836 WeakPolarHBondContact O-CB 3.44Å; L832-L836 VanDerWaalsContact O-CG 3.24Å; L832-L836 WeakPolarHBondContact O-CG 3.41Å; L832-L836 PolarHBondContact O-N 3.15Å; L833-L836 PolarHBondContact O-N 3.32Å; S834-L836 VanDerWaalsContact C-N 3.33Å; S834-L836 PolarHBondContact O-N 3.18Å; L836-P840 WeakPolarHBondContact O-CD 3.39Å; L836-P840 VanDerWaalsContact O-CG 3.31Å; L836-P840 WeakPolarHBondContact O-CG 3.4Å; L836-L871 HydrophobicContact CD1-CD1 3.8Å; L836-L871 HydrophobicContact CD2-CD1 3.94Å; L836-L871 HydrophobicContact CG-CD1 4.46Å; L836-L907 HydrophobicContact CD1-CD1 3.73Å; L836-A910 HydrophobicContact CB-CB 3.79Å; L836-A910 HydrophobicContact CD1-CB 4.24Å; L836-F914 HydrophobicContact CD2-CD1 4.11Å; L836-F914 HydrophobicContact CD2-CE1 4.38Å |
| 837 | Y | 84.3 | Confident | 83.3 | Confident | 0.5 Ų | 0.5 | 18.5 Ų | 18.5 | 0% | 0.002 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -86.3 | -24.7 | 171.6 | -71.5 | -59.9 | 0 | 0 | 0 | 113.6 | T714 P769 R773 L833 S834 L835 E909 A910 L1230 L1231 | T714-Y837 WeakPolarHBondContact CG2-OH 3.4Å; P769-Y837 HydrophobicContact CB-CD2 4.02Å; P769-Y837 HydrophobicContact CB-CE2 3.78Å; P769-Y837 HydrophobicContact CG-CE2 4.41Å; R773-Y837 HydrophobicContact CG-CD1 3.64Å; R773-Y837 HydrophobicContact CG-CE1 4.31Å; R773-Y837 HydrophobicContact CG-CG 3.98Å; L833-Y837 HydrophobicContact CD1-CE2 3.87Å; L833-Y837 HydrophobicContact CD2-CE2 4.42Å; L833-Y837 HydrophobicContact CG-CD2 4.37Å; L833-Y837 HydrophobicContact CG-CE2 3.91Å; L833-Y837 WeakPolarHBondContact O-CD2 3.33Å; L833-Y837 PolarHBondContact O-N 3.16Å; S834-Y837 WeakPolarHBondContact O-CB 3.5Å; S834-Y837 PolarHBondContact O-N 3.09Å; S834-Y837 VanDerWaalsContact O-N 3.11Å; L835-Y837 VanDerWaalsContact C-N 3.29Å; L835-Y837 PolarHBondContact O-N 3.1Å; Y837-E909 VanDerWaalsContact OH-CD 3.23Å; Y837-E909 PolarHBondContact OH-OE1 3.34Å; Y837-A910 HydrophobicContact CD1-CB 4.25Å; Y837-A910 HydrophobicContact CD2-CB 4.36Å; Y837-A910 VanDerWaalsContact CE1-CA 3.49Å; Y837-A910 HydrophobicContact CE1-CB 3.89Å; Y837-A910 HydrophobicContact CE2-CB 3.92Å; Y837-A910 HydrophobicContact CG-CB 4.46Å; Y837-L1230 HydrophobicContact CD1-CD1 3.35Å; Y837-L1230 HydrophobicContact CD1-CD2 3.58Å; Y837-L1230 HydrophobicContact CD1-CG 3.99Å; Y837-L1230 HydrophobicContact CE1-CD1 3.7Å; Y837-L1230 HydrophobicContact CE1-CG 4.47Å; Y837-L1230 HydrophobicContact CG-CD1 4.3Å; Y837-L1230 HydrophobicContact CG-CD2 4.3Å; Y837-L1230 WeakPolarHBondContact O-CD2 3.42Å; Y837-L1231 HydrophobicContact CD1-CD2 4.44Å |
| 838 | I | 86.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -86.4 | -47.7 | -179.3 | -69.3 | 164.1 | 0 | 0 | 0 | 112.2 | I762 W767 S772 I775 I805 S834 L835 P840 G841 F842 | I762-I838 HydrophobicContact CD1-CG2 3.74Å; I762-I838 HydrophobicContact CG1-CD1 4.4Å; I762-I838 HydrophobicContact CG1-CG2 4.33Å; I762-I838 HydrophobicContact CG2-CD1 4.17Å; I762-I838 HydrophobicContact CG2-CG2 4.44Å; W767-I838 HydrophobicContact CB-CD1 4.47Å; W767-I838 HydrophobicContact CG-CD1 4.44Å; S772-I838 VanDerWaalsContact O-CG1 3.31Å; S772-I838 WeakPolarHBondContact O-CG1 3.32Å; I775-I838 HydrophobicContact CB-CG1 4.14Å; I775-I838 HydrophobicContact CG2-CD1 4.16Å; I775-I838 HydrophobicContact CG2-CG1 3.93Å; I775-I838 HydrophobicContact CG2-CG2 3.98Å; I805-I838 HydrophobicContact CD1-CG2 4.49Å; S834-I838 WeakPolarHBondContact O-CG1 3.37Å; S834-I838 PolarHBondContact O-N 3.25Å; S834-I838 VanDerWaalsContact O-N 3.1Å; L835-I838 PolarHBondContact O-N 2.99Å; L835-I838 VanDerWaalsContact O-N 3.11Å; I838-P840 VanDerWaalsContact C-N 3.32Å; I838-G841 PolarHBondContact O-N 3.18Å; I838-F842 HydrophobicContact CG2-CD2 4.29Å; I838-F842 HydrophobicContact CG2-CE2 3.7Å |
| 839 | L | 88.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.9 | -31.7 | -173.8 | -169.4 | 65.3 | 0 | 0 | 0 | 115 | L802 I805 W806 F809 L835 G841 F842 I843 L864 F914 | L802-L839 HydrophobicContact CD1-CD1 4.5Å; I805-L839 HydrophobicContact CD1-CD1 4.26Å; I805-L839 HydrophobicContact CG1-CD1 4.42Å; I805-L839 HydrophobicContact CG2-CD1 3.95Å; W806-L839 HydrophobicContact CE3-CD1 4.39Å; W806-L839 HydrophobicContact CE3-CD2 4.3Å; W806-L839 HydrophobicContact CZ3-CD1 4.5Å; W806-L839 HydrophobicContact CZ3-CD2 3.89Å; F809-L839 HydrophobicContact CD1-CD2 3.93Å; F809-L839 HydrophobicContact CD2-CD2 4.29Å; F809-L839 HydrophobicContact CE1-CD2 3.77Å; F809-L839 HydrophobicContact CE2-CD2 4.15Å; F809-L839 HydrophobicContact CG-CD2 4.19Å; F809-L839 HydrophobicContact CZ-CD2 3.88Å; L835-L839 VanDerWaalsContact O-CB 3.29Å; L835-L839 WeakPolarHBondContact O-CB 3.22Å; L835-L839 PolarHBondContact O-N 3.07Å; L839-G841 PolarHBondContact O-N 3.2Å; L839-G841 VanDerWaalsContact O-N 3.16Å; L839-F842 HydrophobicContact CD1-CB 4.36Å; L839-F842 HydrophobicContact CD1-CG 4.49Å; L839-F842 WeakPolarHBondContact O-CB 3.27Å; L839-F842 PolarHBondContact O-N 3.02Å; L839-I843 HydrophobicContact CG-CD1 4.4Å; L839-I843 HydrophobicContact CG-CG1 4.48Å; L839-I843 PolarHBondContact O-N 3.15Å; L839-I843 VanDerWaalsContact O-N 3.14Å; L839-L864 HydrophobicContact CD2-CD1 4.43Å; L839-F914 HydrophobicContact CB-CE1 3.85Å; L839-F914 HydrophobicContact CB-CZ 4.09Å; L839-F914 HydrophobicContact CD2-CE1 3.76Å; L839-F914 HydrophobicContact CD2-CZ 3.87Å; L839-F914 HydrophobicContact CG-CE1 3.95Å; L839-F914 HydrophobicContact CG-CZ 3.82Å |
| 840 | P | 85.8 | Confident | 83.1 | Confident | 0.25 Ų | 0.25 | 15.3 Ų | 15.3 | 0% | 0.002 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -52.8 | -34.4 | 170.9 | -29.8 | 37.4 | 0 | 0 | 0 | 113.7 | L836 I838 F842 I843 C844 F914 M917 L1230 L1231 I1233 | L836-P840 WeakPolarHBondContact O-CD 3.39Å; L836-P840 VanDerWaalsContact O-CG 3.31Å; L836-P840 WeakPolarHBondContact O-CG 3.4Å; I838-P840 VanDerWaalsContact C-N 3.32Å; P840-F842 VanDerWaalsContact C-N 3.33Å; P840-F842 PolarHBondContact O-N 3.25Å; P840-I843 PolarHBondContact O-N 3.14Å; P840-C844 VanDerWaalsContact O-CB 3.27Å; P840-C844 WeakPolarHBondContact O-CB 3.32Å; P840-C844 PolarHBondContact O-N 3.17Å; P840-F914 HydrophobicContact CB-CD2 4.38Å; P840-F914 HydrophobicContact CB-CE2 4.38Å; P840-F914 HydrophobicContact CB-CG 4.44Å; P840-F914 HydrophobicContact CB-CZ 4.47Å; P840-F914 HydrophobicContact CG-CB 4.18Å; P840-F914 HydrophobicContact CG-CD1 3.75Å; P840-F914 HydrophobicContact CG-CD2 3.96Å; P840-F914 HydrophobicContact CG-CE1 4.03Å; P840-F914 HydrophobicContact CG-CE2 4.21Å; P840-F914 HydrophobicContact CG-CG 3.71Å; P840-F914 HydrophobicContact CG-CZ 4.24Å; P840-M917 HydrophobicContact CB-CE 4.09Å; P840-M917 HydrophobicContact CB-SD 3.57Å; P840-M917 VanDerWaalsContact CB-SD 3.55Å; P840-M917 WeakPolarHBondContact CB-SD 3.09Å; P840-M917 WeakPolarHBondContact O-CE 3.49Å; P840-M917 VanDerWaalsContact O-SD 3.38Å; P840-L1230 HydrophobicContact CB-CB 4.48Å; P840-L1230 HydrophobicContact CB-CD1 4.47Å; P840-L1230 HydrophobicContact CB-CD2 3.54Å; P840-L1230 HydrophobicContact CB-CG 4.35Å; P840-L1230 HydrophobicContact CG-CD1 3.82Å; P840-L1230 HydrophobicContact CG-CD2 3.84Å; P840-L1230 HydrophobicContact CG-CG 4.2Å; P840-L1231 HydrophobicContact CB-CD1 3.38Å; P840-L1231 HydrophobicContact CB-CD2 4.06Å; P840-L1231 HydrophobicContact CB-CG 4.31Å; P840-L1231 HydrophobicContact CG-CD1 3.5Å; P840-L1231 HydrophobicContact CG-CD2 3.9Å; P840-L1231 HydrophobicContact CG-CG 4.36Å; P840-I1233 HydrophobicContact CB-CD1 4.31Å |
| 841 | G | 83.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G776 Y780 I838 L839 A845 | G776-G841 VanDerWaalsContact O-CA 3.25Å; G776-G841 WeakPolarHBondContact O-CA 3.24Å; Y780-G841 WeakPolarHBondContact CA-O 3.42Å; I838-G841 PolarHBondContact O-N 3.18Å; L839-G841 PolarHBondContact O-N 3.2Å; L839-G841 VanDerWaalsContact O-N 3.16Å; G841-A845 PolarHBondContact O-N 3.03Å |
| 842 | F | 87.5 | Confident | 82.9 | Confident | 0.25 Ų | 0.25 | 10.3 Ų | 10.3 | 0% | 0.001 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -69.7 | -41.7 | 179.6 | -69.4 | -108.1 | 0 | 0 | 0 | 111.4 | V759 I762 A779 M783 A801 L802 I805 I838 L839 P840 | V759-F842 HydrophobicContact CG2-CE1 3.75Å; V759-F842 HydrophobicContact CG2-CZ 3.87Å; I762-F842 HydrophobicContact CD1-CE2 4.04Å; I762-F842 HydrophobicContact CD1-CZ 3.86Å; A779-F842 HydrophobicContact CB-CD2 3.93Å; A779-F842 HydrophobicContact CB-CE2 3.6Å; A779-F842 HydrophobicContact CB-CZ 4.14Å; M783-F842 HydrophobicContact CE-CD1 3.69Å; M783-F842 HydrophobicContact CE-CD2 4.18Å; M783-F842 HydrophobicContact CE-CE1 3.34Å; M783-F842 HydrophobicContact CE-CE2 3.95Å; M783-F842 HydrophobicContact CE-CG 3.9Å; M783-F842 HydrophobicContact CE-CZ 3.74Å; M783-F842 VanDerWaalsContact CE-CZ 3.45Å; M783-F842 HydrophobicContact SD-CB 4.16Å; M783-F842 HydrophobicContact SD-CD1 3.95Å; M783-F842 WeakPolarHBondContact SD-CD1 3.3Å; M783-F842 HydrophobicContact SD-CD2 4.46Å; M783-F842 HydrophobicContact SD-CE1 4.19Å; M783-F842 HydrophobicContact SD-CG 3.78Å; A801-F842 HydrophobicContact CB-CD1 3.88Å; A801-F842 HydrophobicContact CB-CE1 4.07Å; L802-F842 HydrophobicContact CD1-CB 4.45Å; I805-F842 HydrophobicContact CB-CD1 4.25Å; I805-F842 HydrophobicContact CB-CE1 3.99Å; I805-F842 HydrophobicContact CB-CZ 4.37Å; I805-F842 HydrophobicContact CD1-CD1 4.28Å; I805-F842 HydrophobicContact CD1-CD2 3.99Å; I805-F842 HydrophobicContact CD1-CE1 3.85Å; I805-F842 HydrophobicContact CD1-CE2 3.57Å; I805-F842 HydrophobicContact CD1-CG 4.35Å; I805-F842 HydrophobicContact CD1-CZ 3.5Å; I805-F842 VanDerWaalsContact CD1-CZ 3.43Å; I805-F842 HydrophobicContact CG1-CE1 4.44Å; I805-F842 HydrophobicContact CG1-CZ 4.46Å; I805-F842 HydrophobicContact CG2-CB 4.46Å; I805-F842 HydrophobicContact CG2-CD1 3.62Å; I805-F842 HydrophobicContact CG2-CE1 3.9Å; I805-F842 HydrophobicContact CG2-CG 4.11Å; I805-F842 HydrophobicContact CG2-CZ 4.44Å; I838-F842 HydrophobicContact CG2-CD2 4.29Å; I838-F842 HydrophobicContact CG2-CE2 3.7Å; L839-F842 HydrophobicContact CD1-CB 4.36Å; L839-F842 HydrophobicContact CD1-CG 4.49Å; L839-F842 WeakPolarHBondContact O-CB 3.27Å; L839-F842 PolarHBondContact O-N 3.02Å; P840-F842 VanDerWaalsContact C-N 3.33Å; P840-F842 PolarHBondContact O-N 3.25Å |
| 843 | I | 85.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -78.4 | -35.4 | -177.8 | -58.8 | -167.9 | 0 | 0 | 0 | 111.8 | L802 L839 P840 A845 I846 L851 I861 L864 F914 M917 L918 | L802-I843 HydrophobicContact CD1-CD1 4.46Å; L802-I843 HydrophobicContact CD1-CG1 4.08Å; L839-I843 HydrophobicContact CG-CD1 4.4Å; L839-I843 HydrophobicContact CG-CG1 4.48Å; L839-I843 PolarHBondContact O-N 3.15Å; L839-I843 VanDerWaalsContact O-N 3.14Å; P840-I843 PolarHBondContact O-N 3.14Å; I843-A845 VanDerWaalsContact C-N 3.27Å; I843-A845 PolarHBondContact O-N 3.04Å; I843-I846 HydrophobicContact CB-CD1 4.44Å; I843-I846 HydrophobicContact CG1-CD1 4.5Å; I843-I846 HydrophobicContact CG2-CD1 4.35Å; I843-I846 WeakPolarHBondContact O-CB 3.4Å; I843-I846 WeakPolarHBondContact O-CG1 3.24Å; I843-I846 PolarHBondContact O-N 3.23Å; I843-I846 VanDerWaalsContact O-N 3.12Å; I843-L851 HydrophobicContact CG2-CD2 3.98Å; I843-I861 HydrophobicContact CG2-CD1 4.21Å; I843-L864 HydrophobicContact CD1-CD2 3.57Å; I843-L864 VanDerWaalsContact CD1-CD2 3.42Å; I843-F914 HydrophobicContact CB-CE2 4.45Å; I843-F914 HydrophobicContact CD1-CE2 3.9Å; I843-F914 HydrophobicContact CD1-CZ 3.69Å; I843-F914 HydrophobicContact CG1-CE2 4.4Å; I843-F914 HydrophobicContact CG1-CZ 4.22Å; I843-M917 HydrophobicContact CB-CE 4.35Å; I843-M917 HydrophobicContact CG2-CE 4.24Å; I843-L918 HydrophobicContact CG2-CD1 4.49Å; I843-L918 HydrophobicContact CG2-CD2 3.76Å |
| 844 | C | 81.4 | Confident | 82.4 | Confident | 1.75 Ų | 1.75 | 16.6 Ų | 16.6 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.9 | -28.7 | 178.4 | -164.2 | 0 | 0 | 0 | 0 | 112.8 | Y780 P840 I846 M917 R921 I1233 | Y780-C844 HydrophobicContact CD2-CB 3.93Å; Y780-C844 HydrophobicContact CE2-CB 4.17Å; Y780-C844 WeakPolarHBondContact CE2-O 3.43Å; P840-C844 VanDerWaalsContact O-CB 3.27Å; P840-C844 WeakPolarHBondContact O-CB 3.32Å; P840-C844 PolarHBondContact O-N 3.17Å; C844-I846 PolarHBondContact O-N 3.15Å; C844-M917 HydrophobicContact CB-CE 4.14Å; C844-M917 HydrophobicContact CB-CG 4.37Å; C844-M917 HydrophobicContact CB-SD 3.62Å; C844-M917 VanDerWaalsContact CB-SD 3.59Å; C844-R921 PolarHBondContact O-NE 3.19Å; C844-R921 PolarHBondContact O-NH2 3.01Å; C844-R921 VanDerWaalsContact SG-CD 3.52Å; C844-I1233 HydrophobicContact CB-CG2 3.66Å; C844-I1233 VanDerWaalsContact SG-CG2 3.51Å |
| 845 | A | 79.2 | Confident | 82.2 | Confident | 8 Ų | 8 | 20.6 Ų | 20.6 | 7% | 0.066 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -23.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y780 M783 G841 I843 | Y780-A845 HydrophobicContact CD2-CB 4.03Å; Y780-A845 HydrophobicContact CE2-CB 4.34Å; M783-A845 HydrophobicContact CB-CB 3.45Å; M783-A845 HydrophobicContact CG-CB 4.23Å; G841-A845 PolarHBondContact O-N 3.03Å; I843-A845 VanDerWaalsContact C-N 3.27Å; I843-A845 PolarHBondContact O-N 3.04Å |
| 846 | I | 81.1 | Confident | 81.9 | Confident | 1.5 Ų | 1.5 | 21 Ų | 21 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -68 | 138 | 177.6 | -57.1 | 173.9 | 0 | 0 | 0 | 109.4 | L802 I843 C844 N850 L851 R921 | L802-I846 HydrophobicContact CD2-CD1 3.63Å; I843-I846 HydrophobicContact CB-CD1 4.44Å; I843-I846 HydrophobicContact CG1-CD1 4.5Å; I843-I846 HydrophobicContact CG2-CD1 4.35Å; I843-I846 WeakPolarHBondContact O-CB 3.4Å; I843-I846 WeakPolarHBondContact O-CG1 3.24Å; I843-I846 PolarHBondContact O-N 3.23Å; I843-I846 VanDerWaalsContact O-N 3.12Å; C844-I846 PolarHBondContact O-N 3.15Å; I846-N850 HydrophobicContact CG2-CB 3.83Å; I846-L851 HydrophobicContact CB-CD2 4.06Å; I846-L851 HydrophobicContact CD1-CD2 4.05Å; I846-L851 HydrophobicContact CG2-CD2 3.96Å; I846-L851 HydrophobicContact CG2-CG 4.36Å; I846-R921 PolarHBondContact O-NH2 3.03Å |
| 847 | P | 75.9 | Confident | 81.8 | Confident | 9.25 Ų | 9.25 | 22.9 Ų | 22.9 | 6% | 0.06 | 13% | 0.129 | C | C | . | . | trans | -58.6 | 136.1 | 172.5 | -21.6 | 32.2 | 0 | 0 | 0 | 110.7 | E849 N850 L851 R930 | P847-E849 PolarHBondContact O-N 3.12Å; P847-E849 VanDerWaalsContact O-N 3.13Å; P847-N850 HydrophobicContact CB-CB 4.43Å; P847-N850 HydrophobicContact CG-CB 4.39Å; P847-N850 WeakPolarHBondContact O-CA 2.99Å; P847-N850 WeakPolarHBondContact O-CB 3.37Å; P847-N850 PolarHBondContact O-N 2.88Å; P847-L851 PolarHBondContact O-N 3.25Å; P847-R930 HydrophobicContact CG-CG 4.36Å | ||
| 848 | P | 74.9 | Confident | 81.7 | Confident | 6.75 Ų | 6.75 | 28.8 Ų | 28.8 | 4% | 0.044 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.8 | -175.9 | 15.8 | -20.5 | 0 | 0 | 0 | 113.9 | N850 L851 R921 F985 T991 | P848-N850 VanDerWaalsContact C-N 3.28Å; P848-N850 PolarHBondContact O-N 3.01Å; P848-L851 HydrophobicContact CB-CD1 4.3Å; P848-L851 WeakPolarHBondContact O-CB 3.38Å; P848-L851 PolarHBondContact O-N 3.4Å; P848-R921 WeakPolarHBondContact CB-O 3.37Å; P848-F985 HydrophobicContact CB-CD1 4.14Å; P848-F985 HydrophobicContact CB-CD2 4.42Å; P848-F985 HydrophobicContact CB-CE1 3.67Å; P848-F985 HydrophobicContact CB-CE2 4.12Å; P848-F985 HydrophobicContact CB-CG 4.45Å; P848-F985 HydrophobicContact CB-CZ 3.67Å; P848-F985 VanDerWaalsContact CB-CZ 3.48Å; P848-F985 HydrophobicContact CG-CB 4.2Å; P848-F985 HydrophobicContact CG-CD1 3.52Å; P848-F985 VanDerWaalsContact CG-CD1 3.45Å; P848-F985 HydrophobicContact CG-CD2 3.72Å; P848-F985 VanDerWaalsContact CG-CD2 3.48Å; P848-F985 HydrophobicContact CG-CE1 3.57Å; P848-F985 VanDerWaalsContact CG-CE1 3.49Å; P848-F985 HydrophobicContact CG-CE2 3.78Å; P848-F985 VanDerWaalsContact CG-CE2 3.44Å; P848-F985 HydrophobicContact CG-CG 3.59Å; P848-F985 VanDerWaalsContact CG-CG 3.5Å; P848-F985 HydrophobicContact CG-CZ 3.71Å; P848-F985 VanDerWaalsContact CG-CZ 3.42Å; P848-T991 VanDerWaalsContact O-CG2 3.32Å; P848-T991 WeakPolarHBondContact O-CG2 3.27Å |
| 849 | E | 74.4 | Confident | 81.6 | Confident | 75.25 Ų | 75.25 | 33 Ų | 33 | 35% | 0.352 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -47.6 | 167.5 | -69 | 169.5 | 157.7 | 0 | 0 | 111 | P847 L851 V852 R930 F985 | P847-E849 PolarHBondContact O-N 3.12Å; P847-E849 VanDerWaalsContact O-N 3.13Å; E849-L851 VanDerWaalsContact C-N 3.29Å; E849-L851 PolarHBondContact O-N 3.09Å; E849-V852 PolarHBondContact O-N 3.15Å; E849-V852 VanDerWaalsContact O-N 3.1Å; E849-R930 IonicContact OE2-CZ 3.12Å; E849-R930 VanDerWaalsContact OE2-CZ 3.26Å; E849-R930 IonicContact OE2-NH1 3.42Å; E849-R930 PolarHBondContact OE2-NH1 3.08Å; E849-R930 IonicContact OE2-NH2 3.46Å; E849-R930 PolarHBondContact OE2-NH2 2.95Å; E849-F985 HydrophobicContact CG-CD2 4.16Å; E849-F985 HydrophobicContact CG-CE2 3.74Å |
| 850 | N | 79.1 | Confident | 81.5 | Confident | 35 Ų | 35 | 33.1 Ų | 33.1 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -71.5 | -20 | -176.1 | -62.4 | 29.4 | 0 | 0 | 0 | 113.1 | I846 P847 P848 V852 D853 I856 | I846-N850 HydrophobicContact CG2-CB 3.83Å; P847-N850 HydrophobicContact CB-CB 4.43Å; P847-N850 HydrophobicContact CG-CB 4.39Å; P847-N850 WeakPolarHBondContact O-CA 2.99Å; P847-N850 WeakPolarHBondContact O-CB 3.37Å; P847-N850 PolarHBondContact O-N 2.88Å; P848-N850 VanDerWaalsContact C-N 3.28Å; P848-N850 PolarHBondContact O-N 3.01Å; N850-V852 PolarHBondContact O-N 3.21Å; N850-V852 VanDerWaalsContact O-N 3.14Å; N850-D853 VanDerWaalsContact CA-OD2 3.27Å; N850-D853 WeakPolarHBondContact CA-OD2 3.4Å; N850-D853 WeakPolarHBondContact CB-OD2 3.41Å; N850-D853 VanDerWaalsContact O-CB 3.26Å; N850-D853 WeakPolarHBondContact O-CB 3.37Å; N850-D853 PolarHBondContact O-N 3.2Å; N850-D853 VanDerWaalsContact O-N 3.13Å; N850-I856 HydrophobicContact CB-CD1 3.87Å; N850-I856 WeakPolarHBondContact O-CB 3.33Å; N850-I856 WeakPolarHBondContact O-CG2 3.22Å |
| 851 | L | 80.8 | Confident | 81.6 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -62.5 | -17.6 | 171.9 | -64.9 | 177.6 | 0 | 0 | 0 | 112.9 | I843 I846 P847 P848 E849 I861 L918 R921 L922 | I843-L851 HydrophobicContact CG2-CD2 3.98Å; I846-L851 HydrophobicContact CB-CD2 4.06Å; I846-L851 HydrophobicContact CD1-CD2 4.05Å; I846-L851 HydrophobicContact CG2-CD2 3.96Å; I846-L851 HydrophobicContact CG2-CG 4.36Å; P847-L851 PolarHBondContact O-N 3.25Å; P848-L851 HydrophobicContact CB-CD1 4.3Å; P848-L851 WeakPolarHBondContact O-CB 3.38Å; P848-L851 PolarHBondContact O-N 3.4Å; E849-L851 VanDerWaalsContact C-N 3.29Å; E849-L851 PolarHBondContact O-N 3.09Å; L851-I861 HydrophobicContact CD2-CD1 3.84Å; L851-I861 HydrophobicContact CD2-CG1 4.42Å; L851-L918 HydrophobicContact CD1-CD1 4.26Å; L851-R921 HydrophobicContact CD1-CB 4.39Å; L851-L922 HydrophobicContact CB-CD2 4.45Å; L851-L922 HydrophobicContact CD1-CD2 4.29Å |
| 852 | V | 79 | Confident | 81.7 | Confident | 41 Ų | 41 | 34.9 Ų | 34.9 | 25% | 0.248 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -110.2 | 2.1 | 177.3 | -160.2 | 0 | 0 | 0 | 0 | 112 | E849 N850 L922 M990 T991 L994 | E849-V852 PolarHBondContact O-N 3.15Å; E849-V852 VanDerWaalsContact O-N 3.1Å; N850-V852 PolarHBondContact O-N 3.21Å; N850-V852 VanDerWaalsContact O-N 3.14Å; V852-L922 HydrophobicContact CG2-CD2 4.27Å; V852-M990 HydrophobicContact CB-CB 4.49Å; V852-M990 HydrophobicContact CG1-CB 3.96Å; V852-T991 HydrophobicContact CG2-CG2 3.64Å; V852-L994 HydrophobicContact CG2-CD2 4.38Å |
| 853 | D | 81.7 | Confident | 81.6 | Confident | 64 Ų | 64 | 36.8 Ų | 36.8 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -62.3 | 130.1 | 169.6 | -96 | -30.5 | 0 | 0 | 0 | 108.7 | N850 T855 I856 Y857 | N850-D853 VanDerWaalsContact CA-OD2 3.27Å; N850-D853 WeakPolarHBondContact CA-OD2 3.4Å; N850-D853 WeakPolarHBondContact CB-OD2 3.41Å; N850-D853 VanDerWaalsContact O-CB 3.26Å; N850-D853 WeakPolarHBondContact O-CB 3.37Å; N850-D853 PolarHBondContact O-N 3.2Å; N850-D853 VanDerWaalsContact O-N 3.13Å; D853-T855 VanDerWaalsContact CG-OG1 3.3Å; D853-T855 PolarHBondContact O-N 3.2Å; D853-T855 VanDerWaalsContact O-N 3.1Å; D853-T855 PolarHBondContact OD1-N 3.03Å; D853-T855 PolarHBondContact OD1-OG1 3Å; D853-I856 HydrophobicContact CB-CB 4.42Å; D853-I856 HydrophobicContact CB-CD1 4.36Å; D853-I856 HydrophobicContact CB-CG1 4.49Å; D853-I856 PolarHBondContact O-N 3.04Å; D853-I856 VanDerWaalsContact O-N 3.14Å; D853-Y857 VanDerWaalsContact O-CB 3.25Å; D853-Y857 WeakPolarHBondContact O-CB 3.35Å; D853-Y857 PolarHBondContact O-N 2.96Å |
| 854 | P | 78.7 | Confident | 81.7 | Confident | 86.5 Ų | 86.5 | 36.7 Ų | 36.7 | 56% | 0.562 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -59.3 | -31.3 | -171.4 | 22.3 | -33.8 | 0 | 0 | 0 | 113.1 | Q858 | P854-Q858 VanDerWaalsContact O-CB 3.32Å; P854-Q858 WeakPolarHBondContact O-CB 3.33Å; P854-Q858 VanDerWaalsContact O-CG 3.23Å; P854-Q858 WeakPolarHBondContact O-CG 3.27Å; P854-Q858 PolarHBondContact O-N 3.14Å; P854-Q858 VanDerWaalsContact O-N 3.11Å |
| 855 | T | 81.4 | Confident | 81.9 | Confident | 91.5 Ų | 91.5 | 37.1 Ų | 37.1 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -68.1 | -53.1 | 177.6 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | D853 Y857 Q858 E859 | D853-T855 VanDerWaalsContact CG-OG1 3.3Å; D853-T855 PolarHBondContact O-N 3.2Å; D853-T855 VanDerWaalsContact O-N 3.1Å; D853-T855 PolarHBondContact OD1-N 3.03Å; D853-T855 PolarHBondContact OD1-OG1 3Å; T855-Y857 VanDerWaalsContact C-N 3.31Å; T855-Y857 PolarHBondContact O-N 3.06Å; T855-Q858 PolarHBondContact O-N 3.16Å; T855-E859 VanDerWaalsContact O-CB 3.3Å; T855-E859 WeakPolarHBondContact O-CB 3.35Å; T855-E859 PolarHBondContact O-N 3.13Å; T855-E859 VanDerWaalsContact O-N 3.08Å |
| 856 | I | 82.8 | Confident | 82.1 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 179.5 | -66 | 169.1 | 0 | 0 | 0 | 110.3 | I799 N850 D853 F860 I861 | I799-I856 HydrophobicContact CD1-CD1 4.31Å; I799-I856 HydrophobicContact CG1-CD1 4.48Å; N850-I856 HydrophobicContact CB-CD1 3.87Å; N850-I856 WeakPolarHBondContact O-CB 3.33Å; N850-I856 WeakPolarHBondContact O-CG2 3.22Å; D853-I856 HydrophobicContact CB-CB 4.42Å; D853-I856 HydrophobicContact CB-CD1 4.36Å; D853-I856 HydrophobicContact CB-CG1 4.49Å; D853-I856 PolarHBondContact O-N 3.04Å; D853-I856 VanDerWaalsContact O-N 3.14Å; I856-F860 HydrophobicContact CB-CD2 4.45Å; I856-F860 HydrophobicContact CG2-CD2 4.1Å; I856-F860 WeakPolarHBondContact O-CB 3.34Å; I856-F860 WeakPolarHBondContact O-CD2 3.38Å; I856-F860 PolarHBondContact O-N 3.1Å; I856-I861 HydrophobicContact CG2-CG1 4.48Å; I856-I861 PolarHBondContact O-N 3.09Å |
| 857 | Y | 84.4 | Confident | 82.3 | Confident | 40 Ų | 40 | 38.6 Ų | 38.6 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -61.2 | -52 | 177.8 | -174.6 | -92.7 | 0 | 0 | 0 | 111.4 | D853 T855 I861 E862 I865 W884 F887 L994 | D853-Y857 VanDerWaalsContact O-CB 3.25Å; D853-Y857 WeakPolarHBondContact O-CB 3.35Å; D853-Y857 PolarHBondContact O-N 2.96Å; T855-Y857 VanDerWaalsContact C-N 3.31Å; T855-Y857 PolarHBondContact O-N 3.06Å; Y857-I861 HydrophobicContact CD2-CB 3.87Å; Y857-I861 HydrophobicContact CD2-CG2 3.87Å; Y857-I861 HydrophobicContact CE2-CB 4.29Å; Y857-I861 HydrophobicContact CE2-CG2 3.88Å; Y857-I861 HydrophobicContact CG-CB 4.43Å; Y857-I861 PolarHBondContact O-N 3.13Å; Y857-I861 VanDerWaalsContact O-N 3.08Å; Y857-E862 HydrophobicContact CD1-CB 4.23Å; Y857-E862 HydrophobicContact CE1-CB 3.91Å; Y857-E862 WeakPolarHBondContact O-CB 3.25Å; Y857-E862 PolarHBondContact O-N 3.09Å; Y857-I865 HydrophobicContact CE2-CD1 4.4Å; Y857-W884 WeakPolarHBondContact OH-CZ3 3.43Å; Y857-F887 HydrophobicContact CE1-CG 4.46Å; Y857-F887 WeakPolarHBondContact OH-CE1 3.32Å; Y857-L994 HydrophobicContact CD2-CD2 4.37Å; Y857-L994 HydrophobicContact CE2-CD1 3.7Å; Y857-L994 HydrophobicContact CE2-CD2 3.93Å; Y857-L994 HydrophobicContact CE2-CG 4.48Å |
| 858 | Q | 82.9 | Confident | 82.9 | Confident | 125.25 Ų | 125.25 | 38.2 Ų | 38.2 | 59% | 0.585 | 20% | 0.202 | S | C | * | . | I | π-helix | trans | -68 | -39.1 | 179.9 | -72.3 | 175 | -8.5 | 0 | 0 | 112.9 | P854 T855 P863 | P854-Q858 VanDerWaalsContact O-CB 3.32Å; P854-Q858 WeakPolarHBondContact O-CB 3.33Å; P854-Q858 VanDerWaalsContact O-CG 3.23Å; P854-Q858 WeakPolarHBondContact O-CG 3.27Å; P854-Q858 PolarHBondContact O-N 3.14Å; P854-Q858 VanDerWaalsContact O-N 3.11Å; T855-Q858 PolarHBondContact O-N 3.16Å; Q858-P863 WeakPolarHBondContact O-CD 3.12Å |
| 859 | E | 84.5 | Confident | 83.3 | Confident | 88.75 Ų | 88.75 | 38 Ų | 38 | 42% | 0.415 | 20% | 0.202 | S | C | . | . | I | π-helix | trans | -74.8 | -35.4 | -176 | -168.4 | 179.3 | 175.1 | 0 | 0 | 112.6 | K803 W806 T855 | K803-E859 WeakPolarHBondContact CE-OE1 3.47Å; K803-E859 IonicContact NZ-OE1 2.8Å; K803-E859 PolarHBondContact NZ-OE1 2.92Å; K803-E859 IonicContact NZ-OE2 3.03Å; K803-E859 PolarHBondContact NZ-OE2 2.83Å; W806-E859 PolarHBondContact NE1-O 3.17Å; W806-E859 VanDerWaalsContact NE1-O 3.13Å; T855-E859 VanDerWaalsContact O-CB 3.3Å; T855-E859 WeakPolarHBondContact O-CB 3.35Å; T855-E859 PolarHBondContact O-N 3.13Å; T855-E859 VanDerWaalsContact O-N 3.08Å |
| 860 | F | 87.5 | Confident | 83.7 | Confident | 2.75 Ų | 2.75 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -126.5 | -50.1 | -169.5 | -53.2 | -75.3 | 0 | 0 | 0 | 114.7 | L802 K803 W806 I856 L864 | L802-F860 HydrophobicContact CB-CE1 4.43Å; L802-F860 HydrophobicContact CD1-CD1 4.3Å; L802-F860 HydrophobicContact CD2-CB 3.94Å; L802-F860 HydrophobicContact CD2-CD1 3.54Å; L802-F860 VanDerWaalsContact CD2-CD1 3.5Å; L802-F860 HydrophobicContact CD2-CD2 3.52Å; L802-F860 VanDerWaalsContact CD2-CD2 3.46Å; L802-F860 HydrophobicContact CD2-CE1 3.86Å; L802-F860 HydrophobicContact CD2-CE2 3.84Å; L802-F860 HydrophobicContact CD2-CG 3.37Å; L802-F860 HydrophobicContact CD2-CZ 4Å; L802-F860 HydrophobicContact CG-CD1 3.61Å; L802-F860 HydrophobicContact CG-CD2 4.4Å; L802-F860 HydrophobicContact CG-CE1 3.67Å; L802-F860 HydrophobicContact CG-CE2 4.44Å; L802-F860 HydrophobicContact CG-CG 4.01Å; L802-F860 HydrophobicContact CG-CZ 4.1Å; K803-F860 HydrophobicContact CG-CE1 4.49Å; K803-F860 HydrophobicContact CG-CZ 3.89Å; W806-F860 HydrophobicContact CB-CD1 3.96Å; W806-F860 HydrophobicContact CB-CE1 3.74Å; W806-F860 AromaticContact CD1-CD1 3.4Å; W806-F860 VanDerWaalsContact CD1-CD1 3.45Å; W806-F860 AromaticContact CD1-CE1 3.47Å; W806-F860 AromaticContact CD2-CD1 3.68Å; W806-F860 HydrophobicContact CD2-CD1 3.68Å; W806-F860 HydrophobicContact CD2-CE1 4.33Å; W806-F860 AromaticContact CE2-CD1 3.72Å; W806-F860 HydrophobicContact CE3-CD1 4.35Å; W806-F860 AromaticContact CG-CD1 3.46Å; W806-F860 HydrophobicContact CG-CD1 3.46Å; W806-F860 VanDerWaalsContact CG-CD1 3.46Å; W806-F860 AromaticContact CG-CE1 3.62Å; W806-F860 HydrophobicContact CG-CE1 3.62Å; W806-F860 VanDerWaalsContact CH2-O 3.25Å; W806-F860 WeakPolarHBondContact CH2-O 3.37Å; W806-F860 HydrophobicContact CZ2-CB 4.34Å; W806-F860 HydrophobicContact CZ2-CD1 4.46Å; W806-F860 WeakPolarHBondContact CZ2-O 3.26Å; W806-F860 AromaticContact NE1-CD1 3.53Å; W806-F860 AromaticContact NE1-CE1 3.97Å; I856-F860 HydrophobicContact CB-CD2 4.45Å; I856-F860 HydrophobicContact CG2-CD2 4.1Å; I856-F860 WeakPolarHBondContact O-CB 3.34Å; I856-F860 WeakPolarHBondContact O-CD2 3.38Å; I856-F860 PolarHBondContact O-N 3.1Å; F860-L864 VanDerWaalsContact O-CB 3.28Å; F860-L864 WeakPolarHBondContact O-CB 3.29Å; F860-L864 PolarHBondContact O-N 3.1Å; F860-L864 VanDerWaalsContact O-N 3.07Å |
| 861 | I | 87.1 | Confident | 84 | Confident | 1.75 Ų | 1.75 | 34.8 Ų | 34.8 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -77.1 | -41.6 | -168.2 | -53.7 | -57.8 | 0 | 0 | 0 | 112.1 | I843 L851 I856 Y857 L864 I865 L918 | I843-I861 HydrophobicContact CG2-CD1 4.21Å; L851-I861 HydrophobicContact CD2-CD1 3.84Å; L851-I861 HydrophobicContact CD2-CG1 4.42Å; I856-I861 HydrophobicContact CG2-CG1 4.48Å; I856-I861 PolarHBondContact O-N 3.09Å; Y857-I861 HydrophobicContact CD2-CB 3.87Å; Y857-I861 HydrophobicContact CD2-CG2 3.87Å; Y857-I861 HydrophobicContact CE2-CB 4.29Å; Y857-I861 HydrophobicContact CE2-CG2 3.88Å; Y857-I861 HydrophobicContact CG-CB 4.43Å; Y857-I861 PolarHBondContact O-N 3.13Å; Y857-I861 VanDerWaalsContact O-N 3.08Å; I861-L864 WeakPolarHBondContact O-CB 3.42Å; I861-L864 PolarHBondContact O-N 3.02Å; I861-I865 HydrophobicContact CG2-CD1 3.76Å; I861-I865 HydrophobicContact CG2-CG1 4.35Å; I861-I865 WeakPolarHBondContact O-CD1 3.42Å; I861-I865 VanDerWaalsContact O-CG1 3.24Å; I861-I865 WeakPolarHBondContact O-CG1 3.39Å; I861-I865 PolarHBondContact O-N 3.13Å; I861-L918 HydrophobicContact CD1-CD1 4.34Å; I861-L918 HydrophobicContact CG2-CD1 4.38Å |
| 862 | E | 84.9 | Confident | 84.2 | Confident | 35.75 Ų | 35.75 | 34.7 Ų | 34.7 | 17% | 0.167 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -51.9 | 177.8 | 173 | 173 | -160.6 | 0 | 0 | 111.6 | Y857 L864 I865 I866 F887 S889 | Y857-E862 HydrophobicContact CD1-CB 4.23Å; Y857-E862 HydrophobicContact CE1-CB 3.91Å; Y857-E862 WeakPolarHBondContact O-CB 3.25Å; Y857-E862 PolarHBondContact O-N 3.09Å; E862-L864 VanDerWaalsContact C-N 3.31Å; E862-L864 PolarHBondContact O-N 3.31Å; E862-I865 PolarHBondContact O-N 2.99Å; E862-I866 HydrophobicContact CG-CD1 4.21Å; E862-I866 WeakPolarHBondContact O-CG1 3.3Å; E862-I866 PolarHBondContact O-N 3.09Å; E862-I866 VanDerWaalsContact O-N 3.12Å; E862-F887 HydrophobicContact CG-CE1 3.81Å; E862-F887 HydrophobicContact CG-CZ 3.8Å; E862-F887 WeakPolarHBondContact OE1-CE1 3.32Å; E862-F887 WeakPolarHBondContact OE1-CZ 3.23Å; E862-S889 WeakPolarHBondContact OE1-CB 3.37Å; E862-S889 PolarHBondContact OE1-OG 2.68Å |
| 863 | P | 85.7 | Confident | 84.4 | Confident | 39.25 Ų | 39.25 | 33.9 Ų | 33.9 | 26% | 0.255 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.1 | -32.2 | 174.7 | -19.6 | 30.2 | 0 | 0 | 0 | 113.6 | W806 M810 Q858 I866 L867 | W806-P863 HydrophobicContact CZ2-CB 4.06Å; W806-P863 HydrophobicContact CZ2-CG 4.34Å; M810-P863 HydrophobicContact CE-CB 3.84Å; Q858-P863 WeakPolarHBondContact O-CD 3.12Å; P863-I866 PolarHBondContact O-N 3.2Å; P863-L867 WeakPolarHBondContact O-CB 3.3Å; P863-L867 PolarHBondContact O-N 3.18Å |
| 864 | L | 88.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 173.5 | -178.9 | 65.9 | 0 | 0 | 0 | 111.7 | W806 L839 I843 F860 I861 E862 I866 L867 L868 F914 L918 | W806-L864 HydrophobicContact CH2-CB 3.94Å; W806-L864 HydrophobicContact CH2-CD1 4.37Å; L839-L864 HydrophobicContact CD2-CD1 4.43Å; I843-L864 HydrophobicContact CD1-CD2 3.57Å; I843-L864 VanDerWaalsContact CD1-CD2 3.42Å; F860-L864 VanDerWaalsContact O-CB 3.28Å; F860-L864 WeakPolarHBondContact O-CB 3.29Å; F860-L864 PolarHBondContact O-N 3.1Å; F860-L864 VanDerWaalsContact O-N 3.07Å; I861-L864 WeakPolarHBondContact O-CB 3.42Å; I861-L864 PolarHBondContact O-N 3.02Å; E862-L864 VanDerWaalsContact C-N 3.31Å; E862-L864 PolarHBondContact O-N 3.31Å; L864-I866 VanDerWaalsContact C-N 3.3Å; L864-I866 PolarHBondContact O-N 3.31Å; L864-L867 PolarHBondContact O-N 3.2Å; L864-L868 HydrophobicContact CD1-CD1 4.29Å; L864-L868 HydrophobicContact CD1-CG 4.32Å; L864-L868 HydrophobicContact CD2-CD1 4.44Å; L864-L868 HydrophobicContact CG-CD1 3.94Å; L864-L868 HydrophobicContact CG-CG 4.36Å; L864-L868 WeakPolarHBondContact O-CB 3.31Å; L864-L868 VanDerWaalsContact O-CG 3.31Å; L864-L868 WeakPolarHBondContact O-CG 3.35Å; L864-L868 PolarHBondContact O-N 3.18Å; L864-F914 HydrophobicContact CD1-CD1 4.43Å; L864-F914 HydrophobicContact CD1-CE1 3.85Å; L864-F914 HydrophobicContact CD1-CE2 4.2Å; L864-F914 HydrophobicContact CD1-CZ 3.74Å; L864-F914 HydrophobicContact CD2-CD2 4.38Å; L864-F914 HydrophobicContact CD2-CE1 4.43Å; L864-F914 HydrophobicContact CD2-CE2 3.67Å; L864-F914 HydrophobicContact CD2-CZ 3.82Å; L864-F914 HydrophobicContact CG-CE2 4.47Å; L864-F914 HydrophobicContact CG-CZ 4.42Å; L864-L918 HydrophobicContact CD2-CD1 4.13Å; L864-L918 HydrophobicContact CD2-CD2 4.48Å |
| 865 | I | 86.5 | Confident | 84.5 | Confident | 9 Ų | 9 | 28.1 Ų | 28.1 | 5% | 0.046 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | 179.6 | -69 | 163.6 | 0 | 0 | 0 | 110.3 | Y857 I861 E862 L867 L868 G869 W884 F887 L994 L998 F1002 | Y857-I865 HydrophobicContact CE2-CD1 4.4Å; I861-I865 HydrophobicContact CG2-CD1 3.76Å; I861-I865 HydrophobicContact CG2-CG1 4.35Å; I861-I865 WeakPolarHBondContact O-CD1 3.42Å; I861-I865 VanDerWaalsContact O-CG1 3.24Å; I861-I865 WeakPolarHBondContact O-CG1 3.39Å; I861-I865 PolarHBondContact O-N 3.13Å; E862-I865 PolarHBondContact O-N 2.99Å; I865-L867 PolarHBondContact O-N 3.45Å; I865-L868 PolarHBondContact O-N 3.29Å; I865-G869 PolarHBondContact O-N 3.2Å; I865-W884 HydrophobicContact CD1-CH2 4.35Å; I865-W884 HydrophobicContact CG2-CH2 4.09Å; I865-W884 HydrophobicContact CG2-CZ2 3.41Å; I865-W884 VanDerWaalsContact CG2-CZ2 3.41Å; I865-W884 HydrophobicContact CG2-CZ3 4.06Å; I865-F887 HydrophobicContact CD1-CZ 4.45Å; I865-F887 HydrophobicContact CG2-CE2 4.25Å; I865-F887 HydrophobicContact CG2-CZ 4.27Å; I865-L994 HydrophobicContact CD1-CD1 4.2Å; I865-L998 HydrophobicContact CD1-CD2 3.84Å; I865-L998 HydrophobicContact CG1-CD2 3.92Å; I865-L998 HydrophobicContact CG2-CD2 4.03Å; I865-F1002 HydrophobicContact CG2-CE2 4.14Å; I865-F1002 HydrophobicContact CG2-CZ 4.33Å |
| 866 | I | 82.9 | Confident | 84.4 | Confident | 33.5 Ų | 33.5 | 23.9 Ų | 23.9 | 17% | 0.172 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 173.9 | -61.7 | 167.7 | 0 | 0 | 0 | 110.6 | E862 P863 L864 L868 G869 K870 W884 F887 L890 M893 | E862-I866 HydrophobicContact CG-CD1 4.21Å; E862-I866 WeakPolarHBondContact O-CG1 3.3Å; E862-I866 PolarHBondContact O-N 3.09Å; E862-I866 VanDerWaalsContact O-N 3.12Å; P863-I866 PolarHBondContact O-N 3.2Å; L864-I866 VanDerWaalsContact C-N 3.3Å; L864-I866 PolarHBondContact O-N 3.31Å; I866-L868 VanDerWaalsContact C-N 3.34Å; I866-L868 PolarHBondContact O-N 2.94Å; I866-G869 PolarHBondContact O-N 3.12Å; I866-G869 VanDerWaalsContact O-N 3.14Å; I866-K870 PolarHBondContact O-N 3.34Å; I866-W884 HydrophobicContact CB-CH2 4.21Å; I866-W884 HydrophobicContact CB-CZ3 4.12Å; I866-W884 HydrophobicContact CD1-CZ3 4.49Å; I866-W884 HydrophobicContact CG1-CH2 4.41Å; I866-W884 HydrophobicContact CG1-CZ3 3.85Å; I866-W884 HydrophobicContact CG2-CH2 4.04Å; I866-W884 HydrophobicContact CG2-CZ3 3.86Å; I866-F887 HydrophobicContact CD1-CD1 3.59Å; I866-F887 HydrophobicContact CD1-CE1 3.19Å; I866-F887 HydrophobicContact CD1-CE2 3.95Å; I866-F887 HydrophobicContact CD1-CG 4.38Å; I866-F887 HydrophobicContact CD1-CZ 3.78Å; I866-F887 HydrophobicContact CG1-CD1 4.24Å; I866-F887 HydrophobicContact CG1-CE1 3.84Å; I866-F887 HydrophobicContact CG1-CE2 3.91Å; I866-F887 HydrophobicContact CG1-CZ 3.93Å; I866-F887 VanDerWaalsContact CG1-CZ 3.5Å; I866-L890 HydrophobicContact CD1-CD1 4.41Å; I866-L890 HydrophobicContact CD1-CD2 3.98Å; I866-L890 HydrophobicContact CG1-CD1 3.75Å; I866-L890 HydrophobicContact CG1-CD2 3.83Å; I866-L890 HydrophobicContact CG1-CG 4.47Å; I866-L890 HydrophobicContact CG2-CD1 3.98Å; I866-M893 HydrophobicContact CD1-CE 4.36Å; I866-M893 HydrophobicContact CG1-CE 4.48Å; I866-M893 HydrophobicContact CG2-CE 3.75Å |
| 867 | L | 85.9 | Confident | 83.9 | Confident | 8.75 Ų | 8.75 | 24.1 Ų | 24.1 | 5% | 0.046 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61 | -48 | 178.5 | 179.4 | 60.4 | 0 | 0 | 0 | 111.2 | F809 V813 P863 L864 I865 G869 K870 L871 | F809-L867 HydrophobicContact CE1-CD2 3.72Å; F809-L867 HydrophobicContact CZ-CD2 3.58Å; V813-L867 HydrophobicContact CG1-CD1 3.75Å; V813-L867 HydrophobicContact CG1-CD2 4.22Å; V813-L867 HydrophobicContact CG2-CD2 3.94Å; P863-L867 WeakPolarHBondContact O-CB 3.3Å; P863-L867 PolarHBondContact O-N 3.18Å; L864-L867 PolarHBondContact O-N 3.2Å; I865-L867 PolarHBondContact O-N 3.45Å; L867-G869 VanDerWaalsContact C-N 3.28Å; L867-G869 PolarHBondContact O-N 2.86Å; L867-K870 WeakPolarHBondContact O-CB 3.3Å; L867-K870 PolarHBondContact O-N 3.18Å; L867-K870 VanDerWaalsContact O-N 3.12Å; L867-L871 HydrophobicContact CD1-CD1 4.3Å; L867-L871 HydrophobicContact CD1-CD2 4.43Å; L867-L871 HydrophobicContact CD1-CG 4.14Å; L867-L871 HydrophobicContact CG-CD1 4.05Å; L867-L871 HydrophobicContact CG-CG 4.3Å; L867-L871 VanDerWaalsContact O-CG 3.29Å; L867-L871 WeakPolarHBondContact O-CG 3.35Å; L867-L871 PolarHBondContact O-N 3.03Å |
| 868 | L | 87.4 | Confident | 83.3 | Confident | 0.5 Ų | 0.5 | 22.7 Ų | 22.7 | 0% | 0.003 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -35.1 | 176.6 | -69.7 | 172.2 | 0 | 0 | 0 | 111.9 | L864 I865 I866 L871 C872 F914 L915 L918 F1002 | L864-L868 HydrophobicContact CD1-CD1 4.29Å; L864-L868 HydrophobicContact CD1-CG 4.32Å; L864-L868 HydrophobicContact CD2-CD1 4.44Å; L864-L868 HydrophobicContact CG-CD1 3.94Å; L864-L868 HydrophobicContact CG-CG 4.36Å; L864-L868 WeakPolarHBondContact O-CB 3.31Å; L864-L868 VanDerWaalsContact O-CG 3.31Å; L864-L868 WeakPolarHBondContact O-CG 3.35Å; L864-L868 PolarHBondContact O-N 3.18Å; I865-L868 PolarHBondContact O-N 3.29Å; I866-L868 VanDerWaalsContact C-N 3.34Å; I866-L868 PolarHBondContact O-N 2.94Å; L868-L871 PolarHBondContact O-N 3.23Å; L868-C872 VanDerWaalsContact O-CB 3.3Å; L868-C872 WeakPolarHBondContact O-CB 3.26Å; L868-C872 PolarHBondContact O-N 2.99Å; L868-F914 HydrophobicContact CD2-CB 4.34Å; L868-F914 HydrophobicContact CD2-CD1 4.45Å; L868-F914 HydrophobicContact CD2-CG 4.43Å; L868-L915 HydrophobicContact CD1-CB 4.2Å; L868-L915 HydrophobicContact CD1-CD1 4.18Å; L868-L918 HydrophobicContact CD1-CD1 4.34Å; L868-F1002 HydrophobicContact CB-CE1 4.28Å; L868-F1002 HydrophobicContact CB-CZ 4.14Å |
| 869 | G | 84 | Confident | 82.5 | Confident | 3.25 Ų | 3.25 | 20.2 Ų | 20.2 | 3% | 0.034 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I865 I866 L867 L871 C872 Y873 | I865-G869 PolarHBondContact O-N 3.2Å; I866-G869 PolarHBondContact O-N 3.12Å; I866-G869 VanDerWaalsContact O-N 3.14Å; L867-G869 VanDerWaalsContact C-N 3.28Å; L867-G869 PolarHBondContact O-N 2.86Å; G869-L871 VanDerWaalsContact C-N 3.33Å; G869-L871 PolarHBondContact O-N 3.3Å; G869-C872 WeakPolarHBondContact O-CB 3.24Å; G869-C872 PolarHBondContact O-N 3.07Å; G869-Y873 PolarHBondContact O-N 3.2Å; G869-Y873 VanDerWaalsContact O-N 3.13Å |
| 870 | K | 82.7 | Confident | 81.8 | Confident | 42.25 Ų | 42.25 | 16.3 Ų | 16.3 | 18% | 0.184 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 174.3 | -118.5 | -178.8 | -175.7 | -174.7 | 0 | 111.6 | E817 Y822 I866 L867 C872 Y873 L874 L895 | E817-K870 IonicContact OE1-NZ 3.08Å; E817-K870 PolarHBondContact OE1-NZ 3.28Å; E817-K870 IonicContact OE2-NZ 3.14Å; E817-K870 PolarHBondContact OE2-NZ 3.09Å; Y822-K870 PolarHBondContact OH-NZ 3.17Å; I866-K870 PolarHBondContact O-N 3.34Å; L867-K870 WeakPolarHBondContact O-CB 3.3Å; L867-K870 PolarHBondContact O-N 3.18Å; L867-K870 VanDerWaalsContact O-N 3.12Å; K870-C872 VanDerWaalsContact C-N 3.32Å; K870-C872 PolarHBondContact O-N 3.23Å; K870-Y873 WeakPolarHBondContact O-CB 3.39Å; K870-Y873 PolarHBondContact O-N 3.1Å; K870-L874 HydrophobicContact CG-CD1 4.27Å; K870-L874 WeakPolarHBondContact O-CB 3.34Å; K870-L874 VanDerWaalsContact O-CG 3.29Å; K870-L874 WeakPolarHBondContact O-CG 3.35Å; K870-L874 PolarHBondContact O-N 3.03Å; K870-L895 HydrophobicContact CG-CD2 3.76Å |
| 871 | L | 85.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67 | -33.9 | 179.6 | -63.3 | 179.6 | 0 | 0 | 0 | 112.3 | Y822 L832 L836 L867 L868 G869 L874 S875 L907 | Y822-L871 HydrophobicContact CD1-CD2 3.95Å; Y822-L871 HydrophobicContact CE1-CD2 4.1Å; L832-L871 HydrophobicContact CD2-CD2 4.25Å; L836-L871 HydrophobicContact CD1-CD1 3.8Å; L836-L871 HydrophobicContact CD2-CD1 3.94Å; L836-L871 HydrophobicContact CG-CD1 4.46Å; L867-L871 HydrophobicContact CD1-CD1 4.3Å; L867-L871 HydrophobicContact CD1-CD2 4.43Å; L867-L871 HydrophobicContact CD1-CG 4.14Å; L867-L871 HydrophobicContact CG-CD1 4.05Å; L867-L871 HydrophobicContact CG-CG 4.3Å; L867-L871 VanDerWaalsContact O-CG 3.29Å; L867-L871 WeakPolarHBondContact O-CG 3.35Å; L867-L871 PolarHBondContact O-N 3.03Å; L868-L871 PolarHBondContact O-N 3.23Å; G869-L871 VanDerWaalsContact C-N 3.33Å; G869-L871 PolarHBondContact O-N 3.3Å; L871-L874 HydrophobicContact CD2-CD1 4.47Å; L871-L874 PolarHBondContact O-N 3.22Å; L871-S875 VanDerWaalsContact O-CB 3.25Å; L871-S875 WeakPolarHBondContact O-CB 3.2Å; L871-S875 PolarHBondContact O-N 3.17Å; L871-S875 PolarHBondContact O-OG 3.05Å; L871-L907 HydrophobicContact CD1-CD1 4.43Å; L871-L907 HydrophobicContact CD2-CD1 4.2Å; L871-L907 HydrophobicContact CD2-CD2 4.14Å; L871-L907 HydrophobicContact CD2-CG 4.47Å |
| 872 | C | 85.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 171.8 | -172.2 | 0 | 0 | 0 | 0 | 111 | L868 G869 K870 S875 T876 V880 F1002 W1050 | L868-C872 VanDerWaalsContact O-CB 3.3Å; L868-C872 WeakPolarHBondContact O-CB 3.26Å; L868-C872 PolarHBondContact O-N 2.99Å; G869-C872 WeakPolarHBondContact O-CB 3.24Å; G869-C872 PolarHBondContact O-N 3.07Å; K870-C872 VanDerWaalsContact C-N 3.32Å; K870-C872 PolarHBondContact O-N 3.23Å; C872-S875 PolarHBondContact O-N 3.2Å; C872-S875 PolarHBondContact O-OG 2.98Å; C872-T876 WeakPolarHBondContact O-CB 3.44Å; C872-T876 VanDerWaalsContact O-CG2 3.28Å; C872-T876 WeakPolarHBondContact O-CG2 3.38Å; C872-T876 PolarHBondContact O-N 3.17Å; C872-T876 PolarHBondContact O-OG1 3.14Å; C872-V880 HydrophobicContact CB-CG2 4.33Å; C872-F1002 HydrophobicContact CB-CD1 4.26Å; C872-F1002 HydrophobicContact CB-CE1 4.2Å; C872-W1050 HydrophobicContact CB-CH2 3.98Å; C872-W1050 HydrophobicContact CB-CZ2 3.55Å; C872-W1050 VanDerWaalsContact CB-CZ2 3.44Å |
| 873 | Y | 82.4 | Confident | 78.3 | Confident | 26 Ų | 26 | 27.5 Ų | 27.5 | 10% | 0.102 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 175.7 | 177.2 | -109.3 | 0 | 0 | 0 | 112.4 | G869 K870 S875 T876 G877 C878 L879 V880 K881 L895 Y897 V901 | G869-Y873 PolarHBondContact O-N 3.2Å; G869-Y873 VanDerWaalsContact O-N 3.13Å; K870-Y873 WeakPolarHBondContact O-CB 3.39Å; K870-Y873 PolarHBondContact O-N 3.1Å; Y873-S875 VanDerWaalsContact C-N 3.3Å; Y873-S875 PolarHBondContact O-N 3.37Å; Y873-T876 PolarHBondContact O-OG1 3.3Å; Y873-G877 VanDerWaalsContact O-CA 3.23Å; Y873-G877 WeakPolarHBondContact O-CA 3.33Å; Y873-G877 PolarHBondContact O-N 3.18Å; Y873-C878 WeakPolarHBondContact CA-O 3.44Å; Y873-C878 HydrophobicContact CD2-CB 4.49Å; Y873-C878 WeakPolarHBondContact CD2-O 3.39Å; Y873-C878 HydrophobicContact CE1-CB 4.09Å; Y873-C878 HydrophobicContact CE2-CB 3.8Å; Y873-C878 WeakPolarHBondContact CE2-O 3.38Å; Y873-C878 WeakPolarHBondContact O-CA 3.32Å; Y873-C878 PolarHBondContact O-N 3.38Å; Y873-L879 HydrophobicContact CD2-CD2 3.7Å; Y873-L879 VanDerWaalsContact CD2-CD2 3.47Å; Y873-L879 HydrophobicContact CD2-CG 3.89Å; Y873-L879 HydrophobicContact CE2-CD2 3.59Å; Y873-L879 VanDerWaalsContact CE2-CD2 3.44Å; Y873-L879 HydrophobicContact CE2-CG 3.68Å; Y873-L879 HydrophobicContact CG-CD2 4.3Å; Y873-V880 WeakPolarHBondContact CA-O 3.32Å; Y873-V880 WeakPolarHBondContact CD2-O 3.44Å; Y873-K881 HydrophobicContact CD2-CG 3.85Å; Y873-K881 HydrophobicContact CE2-CD 4.39Å; Y873-K881 HydrophobicContact CE2-CG 3.67Å; Y873-L895 HydrophobicContact CD1-CB 4.13Å; Y873-L895 HydrophobicContact CD1-CD2 3.78Å; Y873-L895 HydrophobicContact CE1-CB 4.35Å; Y873-L895 HydrophobicContact CE1-CD2 3.47Å; Y873-L895 VanDerWaalsContact CE1-CD2 3.47Å; Y873-L895 HydrophobicContact CE2-CD2 4.43Å; Y873-L895 HydrophobicContact CG-CB 4.45Å; Y873-L895 HydrophobicContact CG-CD1 4.39Å; Y873-L895 HydrophobicContact CG-CD2 4.41Å; Y873-Y897 HydrophobicContact CD1-CD2 4.49Å; Y873-Y897 HydrophobicContact CE1-CD2 4.34Å; Y873-Y897 PolarHBondContact OH-O 3.15Å; Y873-V901 HydrophobicContact CE1-CG2 4.23Å |
| 874 | L | 80.7 | Confident | 77 | Confident | 28.25 Ų | 28.25 | 28 Ų | 28 | 15% | 0.148 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.9 | -34.7 | 179.2 | -69.4 | 171.5 | 0 | 0 | 0 | 113.1 | Y822 K870 L871 T876 G877 Y897 V901 L907 | Y822-L874 HydrophobicContact CD1-CD1 4.14Å; Y822-L874 HydrophobicContact CD2-CD1 3.79Å; Y822-L874 HydrophobicContact CE1-CD1 4.45Å; Y822-L874 HydrophobicContact CE2-CD1 4.29Å; Y822-L874 HydrophobicContact CG-CD1 3.7Å; K870-L874 HydrophobicContact CG-CD1 4.27Å; K870-L874 WeakPolarHBondContact O-CB 3.34Å; K870-L874 VanDerWaalsContact O-CG 3.29Å; K870-L874 WeakPolarHBondContact O-CG 3.35Å; K870-L874 PolarHBondContact O-N 3.03Å; L871-L874 HydrophobicContact CD2-CD1 4.47Å; L871-L874 PolarHBondContact O-N 3.22Å; L874-T876 PolarHBondContact O-N 2.95Å; L874-G877 PolarHBondContact O-N 3Å; L874-Y897 HydrophobicContact CD1-CE2 4.3Å; L874-Y897 HydrophobicContact CD2-CD1 4.06Å; L874-Y897 HydrophobicContact CD2-CD2 3.96Å; L874-Y897 HydrophobicContact CD2-CE1 4.11Å; L874-Y897 HydrophobicContact CD2-CE2 3.99Å; L874-Y897 HydrophobicContact CD2-CG 4Å; L874-Y897 HydrophobicContact CG-CE2 4.43Å; L874-V901 HydrophobicContact CD2-CB 4.36Å; L874-V901 HydrophobicContact CD2-CG1 4.12Å; L874-V901 HydrophobicContact CD2-CG2 3.92Å; L874-V901 WeakPolarHBondContact O-CG1 3.38Å; L874-L907 HydrophobicContact CB-CD2 4.46Å |
| 875 | S | 82.5 | Confident | 75.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -83.1 | -28 | -177.6 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | L871 C872 Y873 G877 A903 C904 S908 S1046 W1050 | L871-S875 VanDerWaalsContact O-CB 3.25Å; L871-S875 WeakPolarHBondContact O-CB 3.2Å; L871-S875 PolarHBondContact O-N 3.17Å; L871-S875 PolarHBondContact O-OG 3.05Å; C872-S875 PolarHBondContact O-N 3.2Å; C872-S875 PolarHBondContact O-OG 2.98Å; Y873-S875 VanDerWaalsContact C-N 3.3Å; Y873-S875 PolarHBondContact O-N 3.37Å; S875-G877 VanDerWaalsContact C-N 3.31Å; S875-A903 CarbonylContact O-C 3.38Å; S875-A903 WeakPolarHBondContact O-CA 3.37Å; S875-A903 VanDerWaalsContact O-CB 3.3Å; S875-A903 WeakPolarHBondContact O-CB 3.36Å; S875-C904 PolarHBondContact O-N 3.07Å; S875-S908 WeakPolarHBondContact CB-OG 3.47Å; S875-S908 PolarHBondContact OG-OG 2.99Å; S875-S1046 VanDerWaalsContact O-CB 3.25Å; S875-S1046 WeakPolarHBondContact O-CB 3.46Å; S875-S1046 PolarHBondContact O-OG 3.15Å; S875-S1046 VanDerWaalsContact O-OG 3.08Å; S875-W1050 PolarHBondContact OG-NE1 3.24Å; S875-W1050 VanDerWaalsContact OG-NE1 3.13Å |
| 876 | T | 78.7 | Confident | 73.5 | Confident | 2.75 Ų | 2.75 | 38.5 Ų | 38.5 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -109.5 | -13.4 | -177.7 | 64.5 | 0 | 0 | 0 | 0 | 114.5 | C872 Y873 L874 C878 L879 V880 R1043 S1046 L1047 W1050 | C872-T876 WeakPolarHBondContact O-CB 3.44Å; C872-T876 VanDerWaalsContact O-CG2 3.28Å; C872-T876 WeakPolarHBondContact O-CG2 3.38Å; C872-T876 PolarHBondContact O-N 3.17Å; C872-T876 PolarHBondContact O-OG1 3.14Å; Y873-T876 PolarHBondContact O-OG1 3.3Å; L874-T876 PolarHBondContact O-N 2.95Å; T876-C878 VanDerWaalsContact C-N 3.25Å; T876-C878 PolarHBondContact O-N 2.81Å; T876-C878 VanDerWaalsContact OG1-CB 3.23Å; T876-C878 WeakPolarHBondContact OG1-CB 3.44Å; T876-C878 PolarHBondContact OG1-N 3.37Å; T876-L879 WeakPolarHBondContact O-CB 3.07Å; T876-L879 PolarHBondContact O-N 2.77Å; T876-V880 HydrophobicContact CG2-CB 4.23Å; T876-V880 HydrophobicContact CG2-CG2 3.87Å; T876-V880 PolarHBondContact OG1-N 3.05Å; T876-V880 VanDerWaalsContact OG1-N 3.13Å; T876-R1043 WeakPolarHBondContact O-CD 3.3Å; T876-R1043 WeakPolarHBondContact O-CG 3.13Å; T876-R1043 PolarHBondContact O-NE 2.79Å; T876-S1046 WeakPolarHBondContact CA-OG 3.42Å; T876-S1046 WeakPolarHBondContact CG2-OG 3.39Å; T876-L1047 HydrophobicContact CG2-CD2 3.98Å; T876-L1047 HydrophobicContact CG2-CG 4.2Å; T876-W1050 VanDerWaalsContact CG2-CD1 3.45Å; T876-W1050 HydrophobicContact CG2-CG 4.38Å |
| 877 | G | 72.4 | Confident | 71.8 | Confident | 17.5 Ų | 17.5 | 38.9 Ų | 38.9 | 18% | 0.18 | 20% | 0.201 | C | C | . | . | trans | 73.4 | 10.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y873 L874 S875 L879 V901 R1043 | Y873-G877 VanDerWaalsContact O-CA 3.23Å; Y873-G877 WeakPolarHBondContact O-CA 3.33Å; Y873-G877 PolarHBondContact O-N 3.18Å; L874-G877 PolarHBondContact O-N 3Å; S875-G877 VanDerWaalsContact C-N 3.31Å; G877-L879 PolarHBondContact O-N 2.85Å; G877-V901 WeakPolarHBondContact CA-O 3.34Å; G877-R1043 VanDerWaalsContact O-CZ 3.23Å; G877-R1043 PolarHBondContact O-NH1 3.48Å; G877-R1043 PolarHBondContact O-NH2 3.35Å | ||
| 878 | C | 70.4 | Confident | 69.8 | Low | 12.25 Ų | 12.25 | 45 Ų | 45 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | trans | -64 | 102.2 | -179.2 | -153.1 | 0 | 0 | 0 | 0 | 111.9 | Y873 T876 V880 P1005 E1009 L1047 | Y873-C878 WeakPolarHBondContact CA-O 3.44Å; Y873-C878 HydrophobicContact CD2-CB 4.49Å; Y873-C878 WeakPolarHBondContact CD2-O 3.39Å; Y873-C878 HydrophobicContact CE1-CB 4.09Å; Y873-C878 HydrophobicContact CE2-CB 3.8Å; Y873-C878 WeakPolarHBondContact CE2-O 3.38Å; Y873-C878 WeakPolarHBondContact O-CA 3.32Å; Y873-C878 PolarHBondContact O-N 3.38Å; T876-C878 VanDerWaalsContact C-N 3.25Å; T876-C878 PolarHBondContact O-N 2.81Å; T876-C878 VanDerWaalsContact OG1-CB 3.23Å; T876-C878 WeakPolarHBondContact OG1-CB 3.44Å; T876-C878 PolarHBondContact OG1-N 3.37Å; C878-V880 VanDerWaalsContact C-N 3.34Å; C878-V880 PolarHBondContact O-N 2.93Å; C878-V880 VanDerWaalsContact O-N 3.11Å; C878-P1005 WeakPolarHBondContact SG-CB 3.32Å; C878-E1009 HydrophobicContact CB-CG 4.22Å; C878-L1047 HydrophobicContact CB-CD2 4.47Å | ||
| 879 | L | 67.5 | Low | 67.8 | Low | 72.75 Ų | 72.75 | 49.3 Ų | 49.3 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | trans | -76.5 | 79.4 | 177.1 | -99.1 | 147.8 | 0 | 0 | 0 | 111.1 | Y873 T876 G877 K881 L895 E1009 L1047 | Y873-L879 HydrophobicContact CD2-CD2 3.7Å; Y873-L879 VanDerWaalsContact CD2-CD2 3.47Å; Y873-L879 HydrophobicContact CD2-CG 3.89Å; Y873-L879 HydrophobicContact CE2-CD2 3.59Å; Y873-L879 VanDerWaalsContact CE2-CD2 3.44Å; Y873-L879 HydrophobicContact CE2-CG 3.68Å; Y873-L879 HydrophobicContact CG-CD2 4.3Å; T876-L879 WeakPolarHBondContact O-CB 3.07Å; T876-L879 PolarHBondContact O-N 2.77Å; G877-L879 PolarHBondContact O-N 2.85Å; L879-K881 PolarHBondContact O-N 3.17Å; L879-L895 HydrophobicContact CD2-CB 4Å; L879-L895 HydrophobicContact CD2-CD1 3.83Å; L879-L895 HydrophobicContact CD2-CD2 4.1Å; L879-L895 HydrophobicContact CD2-CG 4.2Å; L879-E1009 HydrophobicContact CD2-CB 3.93Å; L879-E1009 HydrophobicContact CD2-CG 3.97Å; L879-E1009 HydrophobicContact CG-CB 4.49Å; L879-E1009 HydrophobicContact CG-CG 3.98Å; L879-E1009 WeakPolarHBondContact CG-OE2 3.41Å; L879-L1047 HydrophobicContact CD2-CD1 3.79Å; L879-L1047 HydrophobicContact CD2-CD2 4.4Å; L879-L1047 HydrophobicContact CD2-CG 4.45Å | ||
| 880 | V | 68.8 | Low | 65.9 | Low | 5.75 Ų | 5.75 | 52 Ų | 52 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | trans | -82.2 | 111.6 | 172 | 173.6 | 0 | 0 | 0 | 0 | 108.9 | C872 Y873 T876 C878 P882 T1001 F1002 P1005 I1006 E1009 L1047 | C872-V880 HydrophobicContact CB-CG2 4.33Å; Y873-V880 WeakPolarHBondContact CA-O 3.32Å; Y873-V880 WeakPolarHBondContact CD2-O 3.44Å; T876-V880 HydrophobicContact CG2-CB 4.23Å; T876-V880 HydrophobicContact CG2-CG2 3.87Å; T876-V880 PolarHBondContact OG1-N 3.05Å; T876-V880 VanDerWaalsContact OG1-N 3.13Å; C878-V880 VanDerWaalsContact C-N 3.34Å; C878-V880 PolarHBondContact O-N 2.93Å; C878-V880 VanDerWaalsContact O-N 3.11Å; V880-P882 VanDerWaalsContact C-CD 3.49Å; V880-P882 WeakPolarHBondContact O-CD 3.38Å; V880-T1001 HydrophobicContact CG1-CG2 3.5Å; V880-T1001 VanDerWaalsContact CG1-CG2 3.41Å; V880-T1001 WeakPolarHBondContact CG1-O 3.32Å; V880-F1002 HydrophobicContact CG1-CD1 4.09Å; V880-F1002 HydrophobicContact CG1-CE1 4.15Å; V880-F1002 HydrophobicContact CG1-CG 4.29Å; V880-F1002 HydrophobicContact CG1-CZ 4.46Å; V880-F1002 HydrophobicContact CG2-CD1 4.4Å; V880-P1005 HydrophobicContact CG1-CB 3.8Å; V880-P1005 HydrophobicContact CG2-CB 4.39Å; V880-I1006 HydrophobicContact CG1-CG1 3.88Å; V880-I1006 HydrophobicContact CG2-CG1 4.33Å; V880-E1009 HydrophobicContact CG2-CG 4.38Å; V880-L1047 HydrophobicContact CG2-CD2 3.36Å | ||
| 881 | K | 64.5 | Low | 64.1 | Low | 151 Ų | 151 | 58.3 Ų | 58.3 | 66% | 0.657 | 31% | 0.309 | S | S | * | . | trans | -95.5 | 103.7 | 170.6 | -70.2 | -175.4 | 179.5 | -177.5 | 0 | 109.6 | Y873 L879 D883 W884 P1005 | Y873-K881 HydrophobicContact CD2-CG 3.85Å; Y873-K881 HydrophobicContact CE2-CD 4.39Å; Y873-K881 HydrophobicContact CE2-CG 3.67Å; L879-K881 PolarHBondContact O-N 3.17Å; K881-D883 PolarHBondContact O-N 3.28Å; K881-D883 VanDerWaalsContact O-N 3.17Å; K881-W884 VanDerWaalsContact CA-NE1 3.33Å; K881-P1005 WeakPolarHBondContact O-CB 3.46Å; K881-P1005 WeakPolarHBondContact O-CG 3.5Å | ||
| 882 | P | 63.3 | Low | 62.2 | Low | 19.5 Ų | 19.5 | 65.5 Ų | 65.5 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | trans | -61.7 | 137.1 | 162.9 | 12.9 | -15.7 | 0 | 0 | 0 | 110.4 | V880 W884 L895 T1001 | V880-P882 VanDerWaalsContact C-CD 3.49Å; V880-P882 WeakPolarHBondContact O-CD 3.38Å; P882-W884 VanDerWaalsContact CB-CD1 3.44Å; P882-W884 HydrophobicContact CB-CZ2 4.09Å; P882-W884 HydrophobicContact CG-CD2 3.83Å; P882-W884 HydrophobicContact CG-CE3 4.01Å; P882-W884 HydrophobicContact CG-CG 4.36Å; P882-W884 HydrophobicContact CG-CH2 3.47Å; P882-W884 HydrophobicContact CG-CZ2 3.62Å; P882-W884 VanDerWaalsContact CG-CZ2 3.47Å; P882-W884 HydrophobicContact CG-CZ3 3.83Å; P882-W884 PolarHBondContact O-N 3.13Å; P882-W884 PolarHBondContact O-NE1 3.01Å; P882-L895 HydrophobicContact CG-CD1 4.32Å; P882-T1001 CarbonylContact C-O 3.53Å; P882-T1001 WeakPolarHBondContact CA-O 3.47Å; P882-T1001 HydrophobicContact CB-CG2 3.79Å; P882-T1001 WeakPolarHBondContact CB-O 3.39Å; P882-T1001 HydrophobicContact CG-CG2 4.16Å | ||
| 883 | D | 58.8 | Low | 60.2 | Low | 106.25 Ų | 106.25 | 69.6 Ų | 69.6 | 57% | 0.568 | 37% | 0.368 | S | S | * | . | trans | -71.3 | 92.1 | 174.4 | -94.7 | -32.6 | 0 | 0 | 0 | 110.3 | K881 S885 Q997 T1001 P1005 | K881-D883 PolarHBondContact O-N 3.28Å; K881-D883 VanDerWaalsContact O-N 3.17Å; D883-S885 VanDerWaalsContact C-N 3.29Å; D883-S885 PolarHBondContact O-N 3.07Å; D883-S885 VanDerWaalsContact O-N 3.11Å; D883-S885 WeakPolarHBondContact OD1-CB 3.45Å; D883-S885 PolarHBondContact OD1-N 3.16Å; D883-S885 PolarHBondContact OD1-OG 3.03Å; D883-Q997 PolarHBondContact O-NE2 3.44Å; D883-T1001 PolarHBondContact N-O 3.36Å; D883-T1001 WeakPolarHBondContact O-CA 3.33Å; D883-T1001 WeakPolarHBondContact O-CB 3.44Å; D883-T1001 WeakPolarHBondContact O-CG2 3.29Å; D883-T1001 PolarHBondContact O-OG1 3.03Å; D883-P1005 HydrophobicContact CB-CG 4.26Å | ||
| 884 | W | 57.3 | Low | 58.4 | Low | 48.5 Ų | 48.5 | 74.8 Ų | 74.8 | 18% | 0.184 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -81.7 | 6.4 | -177.3 | -60.4 | 113.1 | 0 | 0 | 0 | 113.8 | Y857 I865 I866 K881 P882 H886 F887 L890 M893 L895 L994 Q997 L998 T1001 | Y857-W884 WeakPolarHBondContact OH-CZ3 3.43Å; I865-W884 HydrophobicContact CD1-CH2 4.35Å; I865-W884 HydrophobicContact CG2-CH2 4.09Å; I865-W884 HydrophobicContact CG2-CZ2 3.41Å; I865-W884 VanDerWaalsContact CG2-CZ2 3.41Å; I865-W884 HydrophobicContact CG2-CZ3 4.06Å; I866-W884 HydrophobicContact CB-CH2 4.21Å; I866-W884 HydrophobicContact CB-CZ3 4.12Å; I866-W884 HydrophobicContact CD1-CZ3 4.49Å; I866-W884 HydrophobicContact CG1-CH2 4.41Å; I866-W884 HydrophobicContact CG1-CZ3 3.85Å; I866-W884 HydrophobicContact CG2-CH2 4.04Å; I866-W884 HydrophobicContact CG2-CZ3 3.86Å; K881-W884 VanDerWaalsContact CA-NE1 3.33Å; P882-W884 VanDerWaalsContact CB-CD1 3.44Å; P882-W884 HydrophobicContact CB-CZ2 4.09Å; P882-W884 HydrophobicContact CG-CD2 3.83Å; P882-W884 HydrophobicContact CG-CE3 4.01Å; P882-W884 HydrophobicContact CG-CG 4.36Å; P882-W884 HydrophobicContact CG-CH2 3.47Å; P882-W884 HydrophobicContact CG-CZ2 3.62Å; P882-W884 VanDerWaalsContact CG-CZ2 3.47Å; P882-W884 HydrophobicContact CG-CZ3 3.83Å; P882-W884 PolarHBondContact O-N 3.13Å; P882-W884 PolarHBondContact O-NE1 3.01Å; W884-H886 PolarHBondContact O-N 3.07Å; W884-H886 VanDerWaalsContact O-N 3.11Å; W884-F887 HydrophobicContact CE3-CB 4.27Å; W884-F887 AromaticContact CE3-CD2 3.71Å; W884-F887 HydrophobicContact CE3-CD2 3.89Å; W884-F887 HydrophobicContact CE3-CE2 4.23Å; W884-F887 AromaticContact CE3-CG 3.9Å; W884-F887 HydrophobicContact CE3-CG 4.12Å; W884-F887 HydrophobicContact CZ3-CD2 4.4Å; W884-F887 HydrophobicContact CZ3-CG 4.46Å; W884-F887 WeakPolarHBondContact O-CB 3.4Å; W884-F887 PolarHBondContact O-N 3.06Å; W884-F887 VanDerWaalsContact O-O 3.12Å; W884-L890 HydrophobicContact CB-CB 4.38Å; W884-L890 WeakPolarHBondContact CB-O 3.32Å; W884-L890 HydrophobicContact CE3-CB 4.17Å; W884-L890 HydrophobicContact CE3-CD1 3.88Å; W884-L890 HydrophobicContact CH2-CD1 4.42Å; W884-L890 HydrophobicContact CZ3-CD1 3.99Å; W884-M893 VanDerWaalsContact CD1-O 3.26Å; W884-M893 HydrophobicContact CG-CB 4.35Å; W884-L895 HydrophobicContact CZ2-CD1 4.3Å; W884-L994 HydrophobicContact CZ3-CD1 4.32Å; W884-Q997 VanDerWaalsContact CE3-CD 3.43Å; W884-Q997 HydrophobicContact CE3-CG 4.25Å; W884-Q997 HydrophobicContact CH2-CB 4.37Å; W884-Q997 HydrophobicContact CH2-CG 3.72Å; W884-Q997 HydrophobicContact CZ3-CB 4.29Å; W884-Q997 HydrophobicContact CZ3-CG 3.57Å; W884-Q997 VanDerWaalsContact CZ3-NE2 3.33Å; W884-Q997 VanDerWaalsContact CZ3-OE1 3.29Å; W884-L998 HydrophobicContact CH2-CD2 4.13Å; W884-T1001 HydrophobicContact CE3-CG2 4.1Å; W884-T1001 HydrophobicContact CZ3-CG2 4.08Å |
| 885 | S | 53.4 | Low | 56.9 | Low | 92.25 Ų | 92.25 | 76.4 Ų | 76.4 | 65% | 0.645 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -60.1 | -18.5 | -172 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | D883 K891 | D883-S885 VanDerWaalsContact C-N 3.29Å; D883-S885 PolarHBondContact O-N 3.07Å; D883-S885 VanDerWaalsContact O-N 3.11Å; D883-S885 WeakPolarHBondContact OD1-CB 3.45Å; D883-S885 PolarHBondContact OD1-N 3.16Å; D883-S885 PolarHBondContact OD1-OG 3.03Å; S885-K891 WeakPolarHBondContact O-CE 3.47Å |
| 886 | H | 47.8 | Very low | 55.1 | Low | 137 Ų | 137 | 81.4 Ų | 81.4 | 63% | 0.634 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -90.3 | -7.5 | 175.9 | -68.5 | -45 | 0 | 0 | 0 | 114.8 | W884 T888 Q997 R1000 | W884-H886 PolarHBondContact O-N 3.07Å; W884-H886 VanDerWaalsContact O-N 3.11Å; H886-T888 PolarHBondContact O-N 3.47Å; H886-Q997 HydrophobicContact CB-CG 4.33Å; H886-Q997 PolarHBondContact O-NE2 3.05Å; H886-R1000 WeakPolarHBondContact CD2-CB 3.43Å; H886-R1000 WeakPolarHBondContact NE2-CB 3.14Å |
| 887 | F | 47.5 | Very low | 53.4 | Low | 43.25 Ų | 43.25 | 88.4 Ų | 88.4 | 19% | 0.19 | 46% | 0.464 | C | S | . | . | trans | -107.1 | 105.8 | 178.8 | -64.8 | -77.8 | 0 | 0 | 0 | 110 | Y857 E862 I865 I866 W884 S889 L890 K891 L994 Q997 L998 T1001 | Y857-F887 HydrophobicContact CE1-CG 4.46Å; Y857-F887 WeakPolarHBondContact OH-CE1 3.32Å; E862-F887 HydrophobicContact CG-CE1 3.81Å; E862-F887 HydrophobicContact CG-CZ 3.8Å; E862-F887 WeakPolarHBondContact OE1-CE1 3.32Å; E862-F887 WeakPolarHBondContact OE1-CZ 3.23Å; I865-F887 HydrophobicContact CD1-CZ 4.45Å; I865-F887 HydrophobicContact CG2-CE2 4.25Å; I865-F887 HydrophobicContact CG2-CZ 4.27Å; I866-F887 HydrophobicContact CD1-CD1 3.59Å; I866-F887 HydrophobicContact CD1-CE1 3.19Å; I866-F887 HydrophobicContact CD1-CE2 3.95Å; I866-F887 HydrophobicContact CD1-CG 4.38Å; I866-F887 HydrophobicContact CD1-CZ 3.78Å; I866-F887 HydrophobicContact CG1-CD1 4.24Å; I866-F887 HydrophobicContact CG1-CE1 3.84Å; I866-F887 HydrophobicContact CG1-CE2 3.91Å; I866-F887 HydrophobicContact CG1-CZ 3.93Å; I866-F887 VanDerWaalsContact CG1-CZ 3.5Å; W884-F887 HydrophobicContact CE3-CB 4.27Å; W884-F887 AromaticContact CE3-CD2 3.71Å; W884-F887 HydrophobicContact CE3-CD2 3.89Å; W884-F887 HydrophobicContact CE3-CE2 4.23Å; W884-F887 AromaticContact CE3-CG 3.9Å; W884-F887 HydrophobicContact CE3-CG 4.12Å; W884-F887 HydrophobicContact CZ3-CD2 4.4Å; W884-F887 HydrophobicContact CZ3-CG 4.46Å; W884-F887 WeakPolarHBondContact O-CB 3.4Å; W884-F887 PolarHBondContact O-N 3.06Å; W884-F887 VanDerWaalsContact O-O 3.12Å; F887-S889 VanDerWaalsContact C-N 3.27Å; F887-S889 PolarHBondContact O-N 3.3Å; F887-S889 VanDerWaalsContact O-N 3.14Å; F887-L890 HydrophobicContact CB-CB 4.18Å; F887-L890 HydrophobicContact CB-CD1 4Å; F887-L890 HydrophobicContact CB-CG 4.06Å; F887-L890 HydrophobicContact CD2-CD1 4.48Å; F887-L890 HydrophobicContact CG-CD1 4.21Å; F887-L890 PolarHBondContact O-N 2.87Å; F887-L890 VanDerWaalsContact O-N 3.13Å; F887-K891 WeakPolarHBondContact O-CG 3.33Å; F887-K891 PolarHBondContact O-N 2.93Å; F887-L994 HydrophobicContact CE1-CD1 3.99Å; F887-L994 HydrophobicContact CZ-CD1 4.26Å; F887-Q997 HydrophobicContact CE1-CB 4.03Å; F887-Q997 HydrophobicContact CE2-CB 4.12Å; F887-Q997 HydrophobicContact CZ-CB 3.65Å; F887-L998 HydrophobicContact CZ-CD2 4.22Å; F887-T1001 HydrophobicContact CE2-CG2 4.33Å; F887-T1001 WeakPolarHBondContact CE2-OG1 3.35Å | ||
| 888 | T | 43.5 | Very low | 52.1 | Low | 136 Ų | 136 | 94.2 Ų | 94.2 | 83% | 0.834 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2.8 | -173.2 | 42.2 | 0 | 0 | 0 | 0 | 114 | H886 | H886-T888 PolarHBondContact O-N 3.47Š|
| 889 | S | 45.6 | Very low | 51.1 | Low | 91.5 Ų | 91.5 | 102 Ų | 102 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 7.8 | 175.7 | 53.9 | 0 | 0 | 0 | 0 | 115.7 | E862 F887 | E862-S889 WeakPolarHBondContact OE1-CB 3.37Å; E862-S889 PolarHBondContact OE1-OG 2.68Å; F887-S889 VanDerWaalsContact C-N 3.27Å; F887-S889 PolarHBondContact O-N 3.3Å; F887-S889 VanDerWaalsContact O-N 3.14Å |
| 890 | L | 44 | Very low | 50.6 | Low | 58.5 Ų | 58.5 | 105.6 Ų | 105.6 | 31% | 0.306 | 54% | 0.542 | S | S | . | . | trans | -125 | 24.9 | 179.3 | -99.5 | 137 | 0 | 0 | 0 | 113.8 | I866 W884 F887 D892 M893 | I866-L890 HydrophobicContact CD1-CD1 4.41Å; I866-L890 HydrophobicContact CD1-CD2 3.98Å; I866-L890 HydrophobicContact CG1-CD1 3.75Å; I866-L890 HydrophobicContact CG1-CD2 3.83Å; I866-L890 HydrophobicContact CG1-CG 4.47Å; I866-L890 HydrophobicContact CG2-CD1 3.98Å; W884-L890 HydrophobicContact CB-CB 4.38Å; W884-L890 WeakPolarHBondContact CB-O 3.32Å; W884-L890 HydrophobicContact CE3-CB 4.17Å; W884-L890 HydrophobicContact CE3-CD1 3.88Å; W884-L890 HydrophobicContact CH2-CD1 4.42Å; W884-L890 HydrophobicContact CZ3-CD1 3.99Å; F887-L890 HydrophobicContact CB-CB 4.18Å; F887-L890 HydrophobicContact CB-CD1 4Å; F887-L890 HydrophobicContact CB-CG 4.06Å; F887-L890 HydrophobicContact CD2-CD1 4.48Å; F887-L890 HydrophobicContact CG-CD1 4.21Å; F887-L890 PolarHBondContact O-N 2.87Å; F887-L890 VanDerWaalsContact O-N 3.13Å; L890-D892 PolarHBondContact O-N 3.32Å; L890-D892 VanDerWaalsContact O-N 3.12Å; L890-M893 HydrophobicContact CB-CG 3.99Å; L890-M893 HydrophobicContact CD2-CB 4.22Å; L890-M893 HydrophobicContact CD2-CG 3.91Å; L890-M893 VanDerWaalsContact O-CB 3.24Å; L890-M893 WeakPolarHBondContact O-CB 3.27Å; L890-M893 VanDerWaalsContact O-CG 3.27Å; L890-M893 WeakPolarHBondContact O-CG 3.44Å; L890-M893 PolarHBondContact O-N 3.08Å | ||
| 891 | K | 46 | Very low | 50.2 | Low | 176 Ų | 176 | 106.3 Ų | 106.3 | 77% | 0.765 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -20.6 | 178.7 | -83.8 | -174.2 | 174.8 | 179.7 | 0 | 114.5 | S885 F887 | S885-K891 WeakPolarHBondContact O-CE 3.47Å; F887-K891 WeakPolarHBondContact O-CG 3.33Å; F887-K891 PolarHBondContact O-N 2.93Å |
| 892 | D | 44.8 | Very low | 50.6 | Low | 151.25 Ų | 151.25 | 101.4 Ų | 101.4 | 81% | 0.809 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 18 | -173.9 | -61.1 | -36.6 | 0 | 0 | 0 | 113.9 | L890 N894 | L890-D892 PolarHBondContact O-N 3.32Å; L890-D892 VanDerWaalsContact O-N 3.12Å; D892-N894 VanDerWaalsContact C-N 3.28Å; D892-N894 PolarHBondContact O-N 2.99Å |
| 893 | M | 43.9 | Very low | 51.2 | Low | 85.5 Ų | 85.5 | 100.5 Ų | 100.5 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | trans | -86.1 | 85.9 | 171.9 | -80.8 | -72.6 | -150.2 | 0 | 0 | 110.2 | I866 W884 L890 L895 | I866-M893 HydrophobicContact CD1-CE 4.36Å; I866-M893 HydrophobicContact CG1-CE 4.48Å; I866-M893 HydrophobicContact CG2-CE 3.75Å; W884-M893 VanDerWaalsContact CD1-O 3.26Å; W884-M893 HydrophobicContact CG-CB 4.35Å; L890-M893 HydrophobicContact CB-CG 3.99Å; L890-M893 HydrophobicContact CD2-CB 4.22Å; L890-M893 HydrophobicContact CD2-CG 3.91Å; L890-M893 VanDerWaalsContact O-CB 3.24Å; L890-M893 WeakPolarHBondContact O-CB 3.27Å; L890-M893 VanDerWaalsContact O-CG 3.27Å; L890-M893 WeakPolarHBondContact O-CG 3.44Å; L890-M893 PolarHBondContact O-N 3.08Å; M893-L895 HydrophobicContact CB-CD1 4.49Å; M893-L895 HydrophobicContact CB-CG 4.39Å; M893-L895 PolarHBondContact O-N 3.32Å | ||
| 894 | N | 45.2 | Very low | 52.2 | Low | 134.5 Ų | 134.5 | 95.4 Ų | 95.4 | 72% | 0.719 | 49% | 0.494 | S | S | * | . | trans | -66.6 | 86 | 166.7 | -90.8 | -31.8 | 0 | 0 | 0 | 110.1 | D892 T896 Y897 | D892-N894 VanDerWaalsContact C-N 3.28Å; D892-N894 PolarHBondContact O-N 2.99Å; N894-T896 HydrophobicContact CB-CG2 4.38Å; N894-T896 PolarHBondContact O-N 3.21Å; N894-T896 VanDerWaalsContact O-N 3.08Å; N894-T896 PolarHBondContact O-OG1 2.94Å; N894-Y897 PolarHBondContact O-N 3.25Å | ||
| 895 | L | 49.2 | Very low | 53.3 | Low | 62 Ų | 62 | 93.6 Ų | 93.6 | 33% | 0.325 | 49% | 0.488 | S | S | . | . | trans | -70.8 | 42.8 | 170.1 | -72.6 | 163.8 | 0 | 0 | 0 | 111.4 | K870 Y873 L879 P882 W884 M893 Y897 | K870-L895 HydrophobicContact CG-CD2 3.76Å; Y873-L895 HydrophobicContact CD1-CB 4.13Å; Y873-L895 HydrophobicContact CD1-CD2 3.78Å; Y873-L895 HydrophobicContact CE1-CB 4.35Å; Y873-L895 HydrophobicContact CE1-CD2 3.47Å; Y873-L895 VanDerWaalsContact CE1-CD2 3.47Å; Y873-L895 HydrophobicContact CE2-CD2 4.43Å; Y873-L895 HydrophobicContact CG-CB 4.45Å; Y873-L895 HydrophobicContact CG-CD1 4.39Å; Y873-L895 HydrophobicContact CG-CD2 4.41Å; L879-L895 HydrophobicContact CD2-CB 4Å; L879-L895 HydrophobicContact CD2-CD1 3.83Å; L879-L895 HydrophobicContact CD2-CD2 4.1Å; L879-L895 HydrophobicContact CD2-CG 4.2Å; P882-L895 HydrophobicContact CG-CD1 4.32Å; W884-L895 HydrophobicContact CZ2-CD1 4.3Å; M893-L895 HydrophobicContact CB-CD1 4.49Å; M893-L895 HydrophobicContact CB-CG 4.39Å; M893-L895 PolarHBondContact O-N 3.32Å; L895-Y897 VanDerWaalsContact C-N 3.3Å; L895-Y897 PolarHBondContact O-N 3.34Å | ||
| 896 | T | 44.3 | Very low | 54.4 | Low | 106 Ų | 106 | 89.5 Ų | 89.5 | 65% | 0.65 | 46% | 0.46 | S | S | * | . | trans | -87.9 | 57.4 | 170.2 | 48 | 0 | 0 | 0 | 0 | 110.6 | N894 N898 | N894-T896 HydrophobicContact CB-CG2 4.38Å; N894-T896 PolarHBondContact O-N 3.21Å; N894-T896 VanDerWaalsContact O-N 3.08Å; N894-T896 PolarHBondContact O-OG1 2.94Å; T896-N898 VanDerWaalsContact C-N 3.31Å; T896-N898 PolarHBondContact O-N 3.23Å | ||
| 897 | Y | 43.5 | Very low | 56.1 | Low | 149.5 Ų | 149.5 | 83 Ų | 83 | 59% | 0.586 | 43% | 0.43 | S | S | * | . | trans | -71.5 | 83.8 | 169.7 | -99.5 | -89.6 | 0 | 0 | 0 | 111.4 | Y822 Y873 L874 N894 L895 K899 | Y822-Y897 VanDerWaalsContact CE2-OH 3.24Å; Y822-Y897 WeakPolarHBondContact CE2-OH 3.19Å; Y873-Y897 HydrophobicContact CD1-CD2 4.49Å; Y873-Y897 HydrophobicContact CE1-CD2 4.34Å; Y873-Y897 PolarHBondContact OH-O 3.15Å; L874-Y897 HydrophobicContact CD1-CE2 4.3Å; L874-Y897 HydrophobicContact CD2-CD1 4.06Å; L874-Y897 HydrophobicContact CD2-CD2 3.96Å; L874-Y897 HydrophobicContact CD2-CE1 4.11Å; L874-Y897 HydrophobicContact CD2-CE2 3.99Å; L874-Y897 HydrophobicContact CD2-CG 4Å; L874-Y897 HydrophobicContact CG-CE2 4.43Å; N894-Y897 PolarHBondContact O-N 3.25Å; L895-Y897 VanDerWaalsContact C-N 3.3Å; L895-Y897 PolarHBondContact O-N 3.34Å; Y897-K899 VanDerWaalsContact C-N 3.28Å; Y897-K899 PolarHBondContact O-N 3.26Å | ||
| 898 | N | 44.1 | Very low | 57.9 | Low | 139.25 Ų | 139.25 | 80.9 Ų | 80.9 | 75% | 0.745 | 42% | 0.421 | S | S | * | . | trans | -92.5 | 50.8 | 167.4 | -82.1 | -14.9 | 0 | 0 | 0 | 110.5 | T896 L900 V901 | T896-N898 VanDerWaalsContact C-N 3.31Å; T896-N898 PolarHBondContact O-N 3.23Å; N898-L900 PolarHBondContact O-N 3.44Å; N898-L900 VanDerWaalsContact O-N 3.08Å; N898-V901 PolarHBondContact O-N 2.9Å | ||
| 899 | K | 51 | Low | 59.8 | Low | 176.5 Ų | 176.5 | 74.8 Ų | 74.8 | 77% | 0.767 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -75 | 70.2 | 173.7 | -75.4 | -178 | 176.3 | 178.1 | 0 | 111.3 | Y897 V901 | Y897-K899 VanDerWaalsContact C-N 3.28Å; Y897-K899 PolarHBondContact O-N 3.26Å; K899-V901 PolarHBondContact O-N 3.18Å |
| 900 | L | 55 | Low | 61.5 | Low | 148 Ų | 148 | 70.5 Ų | 70.5 | 78% | 0.775 | 35% | 0.353 | S | S | * | . | trans | -88 | 80.1 | 173.7 | -85.8 | 147.9 | 0 | 0 | 0 | 110.5 | N898 N902 | N898-L900 PolarHBondContact O-N 3.44Å; N898-L900 VanDerWaalsContact O-N 3.08Å; L900-N902 PolarHBondContact O-N 3.02Å; L900-N902 VanDerWaalsContact O-N 3.07Å | ||
| 901 | V | 62.3 | Low | 63.6 | Low | 19.5 Ų | 19.5 | 67.7 Ų | 67.7 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | trans | -82.6 | 121.3 | 170 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | V823 Y873 L874 G877 N898 K899 E1039 R1043 | V823-V901 HydrophobicContact CB-CG1 4.19Å; V823-V901 HydrophobicContact CG2-CG1 4.38Å; Y873-V901 HydrophobicContact CE1-CG2 4.23Å; L874-V901 HydrophobicContact CD2-CB 4.36Å; L874-V901 HydrophobicContact CD2-CG1 4.12Å; L874-V901 HydrophobicContact CD2-CG2 3.92Å; L874-V901 WeakPolarHBondContact O-CG1 3.38Å; G877-V901 WeakPolarHBondContact CA-O 3.34Å; N898-V901 PolarHBondContact O-N 2.9Å; K899-V901 PolarHBondContact O-N 3.18Å; V901-E1039 VanDerWaalsContact O-CD 3.25Å; V901-R1043 PolarHBondContact O-NH2 3.21Å | ||
| 902 | N | 71.6 | Confident | 65.6 | Low | 49 Ų | 49 | 59.3 Ų | 59.3 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | trans | -87.4 | 111.3 | 172.7 | -68.2 | -16.4 | 0 | 0 | 0 | 108.7 | V823 Y826 L900 C904 E1039 | V823-N902 HydrophobicContact CG1-CB 4.11Å; V823-N902 WeakPolarHBondContact CG1-O 3.35Å; Y826-N902 HydrophobicContact CD1-CB 3.75Å; Y826-N902 HydrophobicContact CE1-CB 3.95Å; Y826-N902 WeakPolarHBondContact CE1-ND2 3.32Å; Y826-N902 HydrophobicContact CG-CB 4.21Å; Y826-N902 VanDerWaalsContact CZ-ND2 3.25Å; L900-N902 PolarHBondContact O-N 3.02Å; L900-N902 VanDerWaalsContact O-N 3.07Å; N902-C904 PolarHBondContact O-N 3.06Å; N902-E1039 WeakPolarHBondContact CA-OE2 3.17Å; N902-E1039 WeakPolarHBondContact CB-OE2 3.3Å | ||
| 903 | A | 75.5 | Confident | 67.4 | Low | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -61.4 | 130.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | S875 P905 E1039 N1042 R1043 | S875-A903 CarbonylContact O-C 3.38Å; S875-A903 WeakPolarHBondContact O-CA 3.37Å; S875-A903 VanDerWaalsContact O-CB 3.3Å; S875-A903 WeakPolarHBondContact O-CB 3.36Å; A903-P905 WeakPolarHBondContact O-CD 2.98Å; A903-E1039 WeakPolarHBondContact CB-OE1 3.27Å; A903-E1039 WeakPolarHBondContact CB-OE2 3.49Å; A903-E1039 VanDerWaalsContact N-CD 3.3Å; A903-E1039 PolarHBondContact N-OE1 3.11Å; A903-E1039 VanDerWaalsContact N-OE1 3.11Å; A903-E1039 PolarHBondContact N-OE2 3.17Å; A903-N1042 HydrophobicContact CB-CB 3.83Å; A903-N1042 WeakPolarHBondContact O-CB 3.31Å; A903-N1042 PolarHBondContact O-ND2 3.2Å; A903-R1043 HydrophobicContact CB-CB 4.28Å; A903-R1043 HydrophobicContact CB-CG 3.53Å; A903-R1043 VanDerWaalsContact CB-CG 3.5Å | ||
| 904 | C | 81.2 | Confident | 69.5 | Low | 0.25 Ų | 0.25 | 48.1 Ų | 48.1 | 0% | 0.002 | 24% | 0.244 | C | C | . | . | trans | -121.1 | 102.2 | -179.2 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | V823 Y826 A828 S875 N902 A906 L907 S908 | V823-C904 HydrophobicContact CG1-CB 3.96Å; V823-C904 HydrophobicContact CG2-CB 3.94Å; Y826-C904 PolarHBondContact O-SG 3.18Å; Y826-C904 VanDerWaalsContact O-SG 3.35Å; A828-C904 PolarHBondContact N-SG 3.3Å; S875-C904 PolarHBondContact O-N 3.07Å; N902-C904 PolarHBondContact O-N 3.06Å; C904-A906 VanDerWaalsContact C-N 3.31Å; C904-A906 PolarHBondContact O-N 3.09Å; C904-L907 HydrophobicContact CB-CB 3.95Å; C904-L907 WeakPolarHBondContact O-CB 3.32Å; C904-L907 PolarHBondContact O-N 3.3Å; C904-L907 VanDerWaalsContact O-N 3.09Å; C904-L907 PolarHBondContact SG-N 2.96Å; C904-L907 VanDerWaalsContact SG-N 3.43Å; C904-S908 PolarHBondContact O-N 3.28Å; C904-S908 VanDerWaalsContact O-N 3.13Å; C904-S908 PolarHBondContact O-OG 3.07Å | ||
| 905 | P | 79.7 | Confident | 71.5 | Confident | 9.25 Ų | 9.25 | 41.7 Ų | 41.7 | 6% | 0.06 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -31.4 | 179.8 | -22.4 | 33.4 | 0 | 0 | 0 | 113.6 | M709 A903 L907 S908 E909 N1042 T1045 I1049 | M709-P905 HydrophobicContact CE-CB 3.28Å; M709-P905 HydrophobicContact CE-CG 3.32Å; A903-P905 WeakPolarHBondContact O-CD 2.98Å; P905-L907 VanDerWaalsContact C-N 3.33Å; P905-L907 PolarHBondContact O-N 3.01Å; P905-S908 WeakPolarHBondContact CA-OG 3.3Å; P905-S908 WeakPolarHBondContact O-CB 3.46Å; P905-S908 PolarHBondContact O-N 3.24Å; P905-S908 VanDerWaalsContact O-N 3.12Å; P905-S908 PolarHBondContact O-OG 3.33Å; P905-E909 PolarHBondContact O-N 3.15Å; P905-N1042 HydrophobicContact CG-CB 4.09Å; P905-T1045 HydrophobicContact CB-CG2 4.08Å; P905-T1045 HydrophobicContact CG-CG2 4.18Å; P905-I1049 HydrophobicContact CB-CD1 4Å; P905-I1049 WeakPolarHBondContact O-CD1 3.44Å |
| 906 | A | 77.1 | Confident | 73.3 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q713 T714 L833 C904 S908 E909 A910 | Q713-A906 VanDerWaalsContact O-CB 3.32Å; Q713-A906 WeakPolarHBondContact O-CB 3.16Å; T714-A906 HydrophobicContact CG2-CB 3.89Å; L833-A906 HydrophobicContact CD1-CB 4.39Å; L833-A906 WeakPolarHBondContact CD1-O 3.22Å; L833-A906 HydrophobicContact CD2-CB 4.43Å; C904-A906 VanDerWaalsContact C-N 3.31Å; C904-A906 PolarHBondContact O-N 3.09Å; A906-S908 VanDerWaalsContact C-N 3.32Å; A906-S908 PolarHBondContact O-N 3.4Å; A906-E909 PolarHBondContact O-N 3.07Å; A906-A910 PolarHBondContact O-N 3.17Å; A906-A910 VanDerWaalsContact O-N 3.16Å |
| 907 | L | 83.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 174.2 | -172 | 61.9 | 0 | 0 | 0 | 111.1 | V823 A828 L832 L836 L871 L874 C904 P905 E909 A910 S911 | V823-L907 HydrophobicContact CG2-CD2 3.94Å; A828-L907 HydrophobicContact CB-CB 4.15Å; A828-L907 HydrophobicContact CB-CD1 4.35Å; L832-L907 HydrophobicContact CD2-CD1 4.46Å; L836-L907 HydrophobicContact CD1-CD1 3.73Å; L871-L907 HydrophobicContact CD1-CD1 4.43Å; L871-L907 HydrophobicContact CD2-CD1 4.2Å; L871-L907 HydrophobicContact CD2-CD2 4.14Å; L871-L907 HydrophobicContact CD2-CG 4.47Å; L874-L907 HydrophobicContact CB-CD2 4.46Å; C904-L907 HydrophobicContact CB-CB 3.95Å; C904-L907 WeakPolarHBondContact O-CB 3.32Å; C904-L907 PolarHBondContact O-N 3.3Å; C904-L907 VanDerWaalsContact O-N 3.09Å; C904-L907 PolarHBondContact SG-N 2.96Å; C904-L907 VanDerWaalsContact SG-N 3.43Å; P905-L907 VanDerWaalsContact C-N 3.33Å; P905-L907 PolarHBondContact O-N 3.01Å; L907-E909 VanDerWaalsContact C-N 3.32Å; L907-E909 PolarHBondContact O-N 3.19Å; L907-A910 PolarHBondContact O-N 3.33Å; L907-S911 WeakPolarHBondContact O-CB 3.39Å; L907-S911 PolarHBondContact O-N 3.39Å; L907-S911 PolarHBondContact O-OG 3.05Å |
| 908 | S | 84.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -39.8 | 175.2 | 11.1 | 0 | 0 | 0 | 0 | 112.3 | S875 C904 P905 A906 S911 A912 S1046 I1049 | S875-S908 WeakPolarHBondContact CB-OG 3.47Å; S875-S908 PolarHBondContact OG-OG 2.99Å; C904-S908 PolarHBondContact O-N 3.28Å; C904-S908 VanDerWaalsContact O-N 3.13Å; C904-S908 PolarHBondContact O-OG 3.07Å; P905-S908 WeakPolarHBondContact CA-OG 3.3Å; P905-S908 WeakPolarHBondContact O-CB 3.46Å; P905-S908 PolarHBondContact O-N 3.24Å; P905-S908 VanDerWaalsContact O-N 3.12Å; P905-S908 PolarHBondContact O-OG 3.33Å; A906-S908 VanDerWaalsContact C-N 3.32Å; A906-S908 PolarHBondContact O-N 3.4Å; S908-S911 PolarHBondContact O-OG 2.98Å; S908-A912 WeakPolarHBondContact O-CA 3.43Å; S908-A912 WeakPolarHBondContact O-CB 3.43Å; S908-A912 PolarHBondContact O-N 3.2Å; S908-S1046 WeakPolarHBondContact OG-CA 3.36Å; S908-S1046 WeakPolarHBondContact OG-CB 3.34Å; S908-I1049 WeakPolarHBondContact OG-CD1 3.36Å |
| 909 | E | 82.3 | Confident | 79.3 | Confident | 8.25 Ų | 8.25 | 20.4 Ų | 20.4 | 4% | 0.039 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.1 | -50.4 | 177.4 | -174.1 | -172.9 | 141.2 | 0 | 0 | 111.1 | R711 R773 Y837 P905 A906 L907 S911 S913 I1049 | R711-E909 WeakPolarHBondContact CD-OE2 3.26Å; R711-E909 IonicContact CZ-OE2 2.95Å; R711-E909 IonicContact NE-OE2 2.93Å; R711-E909 IonicContact NH1-OE2 3.3Å; R711-E909 PolarHBondContact NH1-OE2 3.15Å; R773-E909 IonicContact CZ-OE1 3.04Å; R773-E909 IonicContact NE-OE1 3.15Å; R773-E909 IonicContact NH2-OE1 3.4Å; R773-E909 PolarHBondContact NH2-OE1 3.07Å; Y837-E909 VanDerWaalsContact OH-CD 3.23Å; Y837-E909 PolarHBondContact OH-OE1 3.34Å; P905-E909 PolarHBondContact O-N 3.15Å; A906-E909 PolarHBondContact O-N 3.07Å; L907-E909 VanDerWaalsContact C-N 3.32Å; L907-E909 PolarHBondContact O-N 3.19Å; E909-S911 PolarHBondContact O-N 2.9Å; E909-S913 VanDerWaalsContact O-CB 3.26Å; E909-S913 WeakPolarHBondContact O-CB 3.4Å; E909-S913 PolarHBondContact O-N 3.18Å; E909-S913 PolarHBondContact O-OG 3.2Å; E909-I1049 HydrophobicContact CB-CG2 4.14Å |
| 910 | A | 82.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.5 | -46.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L833 L836 Y837 A906 L907 S913 F914 | L833-A910 HydrophobicContact CD1-CB 3.78Å; L836-A910 HydrophobicContact CB-CB 3.79Å; L836-A910 HydrophobicContact CD1-CB 4.24Å; Y837-A910 HydrophobicContact CD1-CB 4.25Å; Y837-A910 HydrophobicContact CD2-CB 4.36Å; Y837-A910 VanDerWaalsContact CE1-CA 3.49Å; Y837-A910 HydrophobicContact CE1-CB 3.89Å; Y837-A910 HydrophobicContact CE2-CB 3.92Å; Y837-A910 HydrophobicContact CG-CB 4.46Å; A906-A910 PolarHBondContact O-N 3.17Å; A906-A910 VanDerWaalsContact O-N 3.16Å; L907-A910 PolarHBondContact O-N 3.33Å; A910-S913 PolarHBondContact O-OG 3.12Å; A910-S913 VanDerWaalsContact O-OG 3.04Å; A910-F914 WeakPolarHBondContact O-CB 3.31Å; A910-F914 PolarHBondContact O-N 3.44Å; A910-F914 VanDerWaalsContact O-N 3.12Å |
| 911 | S | 88 | Confident | 82 | Confident | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -72.6 | -38.9 | -179.5 | 56 | 0 | 0 | 0 | 0 | 113.4 | L907 S908 E909 F914 L915 W1050 | L907-S911 WeakPolarHBondContact O-CB 3.39Å; L907-S911 PolarHBondContact O-N 3.39Å; L907-S911 PolarHBondContact O-OG 3.05Å; S908-S911 PolarHBondContact O-OG 2.98Å; E909-S911 PolarHBondContact O-N 2.9Å; S911-F914 PolarHBondContact O-N 2.99Å; S911-L915 PolarHBondContact O-N 3.19Å; S911-W1050 WeakPolarHBondContact OG-CZ2 3.42Å |
| 912 | A | 86.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -68.6 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S908 F914 L915 A916 I1049 W1050 H1053 | S908-A912 WeakPolarHBondContact O-CA 3.43Å; S908-A912 WeakPolarHBondContact O-CB 3.43Å; S908-A912 PolarHBondContact O-N 3.2Å; A912-F914 VanDerWaalsContact C-N 3.33Å; A912-F914 PolarHBondContact O-N 2.9Å; A912-L915 PolarHBondContact O-N 3.22Å; A912-A916 WeakPolarHBondContact O-CB 3.37Å; A912-A916 PolarHBondContact O-N 3.2Å; A912-I1049 HydrophobicContact CB-CG2 4.45Å; A912-W1050 VanDerWaalsContact CA-CZ3 3.46Å; A912-W1050 HydrophobicContact CB-CB 4.4Å; A912-W1050 HydrophobicContact CB-CD2 3.53Å; A912-W1050 HydrophobicContact CB-CE3 3.45Å; A912-W1050 VanDerWaalsContact CB-CE3 3.45Å; A912-W1050 HydrophobicContact CB-CG 3.95Å; A912-W1050 HydrophobicContact CB-CH2 4.45Å; A912-W1050 HydrophobicContact CB-CZ2 4.49Å; A912-W1050 HydrophobicContact CB-CZ3 3.95Å; A912-H1053 HydrophobicContact CB-CB 3.89Å |
| 913 | S | 83.2 | Confident | 83.2 | Confident | 1.5 Ų | 1.5 | 3.7 Ų | 3.7 | 1% | 0.01 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -66.2 | -35.7 | 177.1 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | E909 A910 A916 M917 H1053 L1230 L1231 | E909-S913 VanDerWaalsContact O-CB 3.26Å; E909-S913 WeakPolarHBondContact O-CB 3.4Å; E909-S913 PolarHBondContact O-N 3.18Å; E909-S913 PolarHBondContact O-OG 3.2Å; A910-S913 PolarHBondContact O-OG 3.12Å; A910-S913 VanDerWaalsContact O-OG 3.04Å; S913-A916 WeakPolarHBondContact O-CB 3.45Å; S913-A916 PolarHBondContact O-N 3.12Å; S913-M917 WeakPolarHBondContact O-CB 3.44Å; S913-M917 PolarHBondContact O-N 3.02Å; S913-H1053 WeakPolarHBondContact CA-ND1 3.3Å; S913-H1053 WeakPolarHBondContact CB-ND1 3.38Å; S913-L1230 WeakPolarHBondContact OG-CD1 3.4Å; S913-L1231 WeakPolarHBondContact O-CD1 3.4Å |
| 914 | F | 87.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -61.6 | -53.4 | 170.5 | -160.1 | 153.2 | 0 | 0 | 0 | 111.1 | L836 L839 P840 I843 L864 L868 A910 S911 A912 A916 M917 L918 | L836-F914 HydrophobicContact CD2-CD1 4.11Å; L836-F914 HydrophobicContact CD2-CE1 4.38Å; L839-F914 HydrophobicContact CB-CE1 3.85Å; L839-F914 HydrophobicContact CB-CZ 4.09Å; L839-F914 HydrophobicContact CD2-CE1 3.76Å; L839-F914 HydrophobicContact CD2-CZ 3.87Å; L839-F914 HydrophobicContact CG-CE1 3.95Å; L839-F914 HydrophobicContact CG-CZ 3.82Å; P840-F914 HydrophobicContact CB-CD2 4.38Å; P840-F914 HydrophobicContact CB-CE2 4.38Å; P840-F914 HydrophobicContact CB-CG 4.44Å; P840-F914 HydrophobicContact CB-CZ 4.47Å; P840-F914 HydrophobicContact CG-CB 4.18Å; P840-F914 HydrophobicContact CG-CD1 3.75Å; P840-F914 HydrophobicContact CG-CD2 3.96Å; P840-F914 HydrophobicContact CG-CE1 4.03Å; P840-F914 HydrophobicContact CG-CE2 4.21Å; P840-F914 HydrophobicContact CG-CG 3.71Å; P840-F914 HydrophobicContact CG-CZ 4.24Å; I843-F914 HydrophobicContact CB-CE2 4.45Å; I843-F914 HydrophobicContact CD1-CE2 3.9Å; I843-F914 HydrophobicContact CD1-CZ 3.69Å; I843-F914 HydrophobicContact CG1-CE2 4.4Å; I843-F914 HydrophobicContact CG1-CZ 4.22Å; L864-F914 HydrophobicContact CD1-CD1 4.43Å; L864-F914 HydrophobicContact CD1-CE1 3.85Å; L864-F914 HydrophobicContact CD1-CE2 4.2Å; L864-F914 HydrophobicContact CD1-CZ 3.74Å; L864-F914 HydrophobicContact CD2-CD2 4.38Å; L864-F914 HydrophobicContact CD2-CE1 4.43Å; L864-F914 HydrophobicContact CD2-CE2 3.67Å; L864-F914 HydrophobicContact CD2-CZ 3.82Å; L864-F914 HydrophobicContact CG-CE2 4.47Å; L864-F914 HydrophobicContact CG-CZ 4.42Å; L868-F914 HydrophobicContact CD2-CB 4.34Å; L868-F914 HydrophobicContact CD2-CD1 4.45Å; L868-F914 HydrophobicContact CD2-CG 4.43Å; A910-F914 WeakPolarHBondContact O-CB 3.31Å; A910-F914 PolarHBondContact O-N 3.44Å; A910-F914 VanDerWaalsContact O-N 3.12Å; S911-F914 PolarHBondContact O-N 2.99Å; A912-F914 VanDerWaalsContact C-N 3.33Å; A912-F914 PolarHBondContact O-N 2.9Å; F914-A916 VanDerWaalsContact C-N 3.28Å; F914-A916 PolarHBondContact O-N 3.2Å; F914-M917 HydrophobicContact CD2-CE 4.18Å; F914-M917 HydrophobicContact CE2-CE 4.14Å; F914-M917 WeakPolarHBondContact O-CB 3.31Å; F914-M917 PolarHBondContact O-N 3.34Å; F914-L918 HydrophobicContact CD2-CD1 4.34Å; F914-L918 HydrophobicContact CD2-CG 4.37Å; F914-L918 HydrophobicContact CE2-CD1 4.39Å; F914-L918 HydrophobicContact CE2-CG 4.44Å; F914-L918 PolarHBondContact O-N 3.23Å; F914-L918 VanDerWaalsContact O-N 3.12Å |
| 915 | L | 88.4 | Confident | 82.7 | Confident | 0.5 Ų | 0.5 | 5.6 Ų | 5.6 | 0% | 0.003 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 179.7 | -174.7 | 59.3 | 0 | 0 | 0 | 111.9 | L868 S911 A912 M917 L918 L919 L998 F1002 W1050 L1054 | L868-L915 HydrophobicContact CD1-CB 4.2Å; L868-L915 HydrophobicContact CD1-CD1 4.18Å; S911-L915 PolarHBondContact O-N 3.19Å; A912-L915 PolarHBondContact O-N 3.22Å; L915-M917 VanDerWaalsContact C-N 3.31Å; L915-M917 PolarHBondContact O-N 3.05Å; L915-L918 HydrophobicContact CD1-CD1 4.48Å; L915-L918 HydrophobicContact CD1-CD2 4.41Å; L915-L918 WeakPolarHBondContact O-CB 3.4Å; L915-L918 PolarHBondContact O-N 3.14Å; L915-L918 VanDerWaalsContact O-N 3.17Å; L915-L919 HydrophobicContact CG-CD1 4.29Å; L915-L919 HydrophobicContact CG-CG 4.47Å; L915-L919 VanDerWaalsContact O-CB 3.28Å; L915-L919 WeakPolarHBondContact O-CB 3.48Å; L915-L919 WeakPolarHBondContact O-CG 3.39Å; L915-L919 PolarHBondContact O-N 3.1Å; L915-L998 HydrophobicContact CD1-CD1 4.26Å; L915-L998 HydrophobicContact CD1-CD2 4.25Å; L915-F1002 HydrophobicContact CD1-CE2 4.48Å; L915-F1002 HydrophobicContact CD2-CB 3.81Å; L915-F1002 HydrophobicContact CD2-CD1 3.63Å; L915-F1002 HydrophobicContact CD2-CD2 3.54Å; L915-F1002 VanDerWaalsContact CD2-CD2 3.5Å; L915-F1002 HydrophobicContact CD2-CE1 4.02Å; L915-F1002 HydrophobicContact CD2-CE2 3.96Å; L915-F1002 HydrophobicContact CD2-CG 3.37Å; L915-F1002 VanDerWaalsContact CD2-CG 3.4Å; L915-F1002 HydrophobicContact CD2-CZ 4.18Å; L915-W1050 HydrophobicContact CB-CZ3 4.08Å; L915-W1050 HydrophobicContact CD2-CZ3 3.81Å; L915-L1054 HydrophobicContact CB-CD2 4.13Å; L915-L1054 HydrophobicContact CD2-CD2 3.81Å; L915-L1054 HydrophobicContact CG-CD2 3.82Å |
| 916 | A | 86 | Confident | 82.2 | Confident | 0.5 Ų | 0.5 | 5.6 Ų | 5.6 | 0% | 0.004 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -59.3 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A912 S913 F914 L918 L919 H920 H1053 S1057 L1231 | A912-A916 WeakPolarHBondContact O-CB 3.37Å; A912-A916 PolarHBondContact O-N 3.2Å; S913-A916 WeakPolarHBondContact O-CB 3.45Å; S913-A916 PolarHBondContact O-N 3.12Å; F914-A916 VanDerWaalsContact C-N 3.28Å; F914-A916 PolarHBondContact O-N 3.2Å; A916-L918 VanDerWaalsContact C-N 3.29Å; A916-L918 PolarHBondContact O-N 3.06Å; A916-L919 PolarHBondContact O-N 2.9Å; A916-H920 WeakPolarHBondContact O-CB 3.41Å; A916-H920 PolarHBondContact O-N 3.24Å; A916-H1053 HydrophobicContact CB-CB 4.03Å; A916-H1053 VanDerWaalsContact CB-O 3.25Å; A916-H1053 WeakPolarHBondContact CB-O 3.3Å; A916-S1057 WeakPolarHBondContact O-CB 3.34Å; A916-L1231 HydrophobicContact CB-CD1 4.3Å; A916-L1231 HydrophobicContact CB-CD2 3.81Å; A916-L1231 HydrophobicContact CB-CG 4.41Å |
| 917 | M | 86.2 | Confident | 81.9 | Confident | 1.5 Ų | 1.5 | 6 Ų | 6 | 1% | 0.007 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 175 | 179.5 | -140.2 | 69.1 | 0 | 0 | 112.1 | P840 I843 C844 S913 F914 L915 L919 H920 R921 L1231 I1233 I1234 | P840-M917 HydrophobicContact CB-CE 4.09Å; P840-M917 HydrophobicContact CB-SD 3.57Å; P840-M917 VanDerWaalsContact CB-SD 3.55Å; P840-M917 WeakPolarHBondContact CB-SD 3.09Å; P840-M917 WeakPolarHBondContact O-CE 3.49Å; P840-M917 VanDerWaalsContact O-SD 3.38Å; I843-M917 HydrophobicContact CB-CE 4.35Å; I843-M917 HydrophobicContact CG2-CE 4.24Å; C844-M917 HydrophobicContact CB-CE 4.14Å; C844-M917 HydrophobicContact CB-CG 4.37Å; C844-M917 HydrophobicContact CB-SD 3.62Å; C844-M917 VanDerWaalsContact CB-SD 3.59Å; S913-M917 WeakPolarHBondContact O-CB 3.44Å; S913-M917 PolarHBondContact O-N 3.02Å; F914-M917 HydrophobicContact CD2-CE 4.18Å; F914-M917 HydrophobicContact CE2-CE 4.14Å; F914-M917 WeakPolarHBondContact O-CB 3.31Å; F914-M917 PolarHBondContact O-N 3.34Å; L915-M917 VanDerWaalsContact C-N 3.31Å; L915-M917 PolarHBondContact O-N 3.05Å; M917-L919 VanDerWaalsContact C-N 3.35Å; M917-L919 PolarHBondContact O-N 3.33Å; M917-H920 PolarHBondContact O-N 2.97Å; M917-R921 WeakPolarHBondContact O-CG 3.4Å; M917-R921 PolarHBondContact O-N 3.16Å; M917-R921 VanDerWaalsContact O-N 3.1Å; M917-L1231 HydrophobicContact CB-CD1 3.84Å; M917-L1231 HydrophobicContact CB-CD2 4.21Å; M917-L1231 HydrophobicContact CG-CD1 4.4Å; M917-L1231 HydrophobicContact SD-CD1 4.02Å; M917-I1233 HydrophobicContact SD-CD1 4.38Å; M917-I1234 HydrophobicContact CB-CD1 3.94Å; M917-I1234 HydrophobicContact CB-CG1 4.27Å; M917-I1234 HydrophobicContact CG-CD1 3.93Å; M917-I1234 HydrophobicContact CG-CG1 3.85Å |
| 918 | L | 86.2 | Confident | 81.1 | Confident | 3.25 Ų | 3.25 | 7.3 Ų | 7.3 | 2% | 0.017 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 177.5 | -156.5 | 126.6 | 0 | 0 | 0 | 111.3 | I843 L851 I861 L864 L868 F914 L915 A916 H920 R921 L922 L998 | I843-L918 HydrophobicContact CG2-CD1 4.49Å; I843-L918 HydrophobicContact CG2-CD2 3.76Å; L851-L918 HydrophobicContact CD1-CD1 4.26Å; I861-L918 HydrophobicContact CD1-CD1 4.34Å; I861-L918 HydrophobicContact CG2-CD1 4.38Å; L864-L918 HydrophobicContact CD2-CD1 4.13Å; L864-L918 HydrophobicContact CD2-CD2 4.48Å; L868-L918 HydrophobicContact CD1-CD1 4.34Å; F914-L918 HydrophobicContact CD2-CD1 4.34Å; F914-L918 HydrophobicContact CD2-CG 4.37Å; F914-L918 HydrophobicContact CE2-CD1 4.39Å; F914-L918 HydrophobicContact CE2-CG 4.44Å; F914-L918 PolarHBondContact O-N 3.23Å; F914-L918 VanDerWaalsContact O-N 3.12Å; L915-L918 HydrophobicContact CD1-CD1 4.48Å; L915-L918 HydrophobicContact CD1-CD2 4.41Å; L915-L918 WeakPolarHBondContact O-CB 3.4Å; L915-L918 PolarHBondContact O-N 3.14Å; L915-L918 VanDerWaalsContact O-N 3.17Å; A916-L918 VanDerWaalsContact C-N 3.29Å; A916-L918 PolarHBondContact O-N 3.06Å; L918-H920 VanDerWaalsContact C-N 3.32Å; L918-H920 PolarHBondContact O-N 3.07Å; L918-R921 PolarHBondContact O-N 3.11Å; L918-L922 HydrophobicContact CD1-CD1 4.37Å; L918-L922 HydrophobicContact CD2-CD1 3.69Å; L918-L922 HydrophobicContact CG-CD1 4.28Å; L918-L922 VanDerWaalsContact O-CG 3.29Å; L918-L922 WeakPolarHBondContact O-CG 3.32Å; L918-L922 PolarHBondContact O-N 3.06Å; L918-L922 VanDerWaalsContact O-N 3.13Å; L918-L998 HydrophobicContact CD2-CD1 3.59Å; L918-L998 HydrophobicContact CG-CD1 4.41Å |
| 919 | L | 85 | Confident | 80.3 | Confident | 2.75 Ų | 2.75 | 8 Ų | 8 | 1% | 0.014 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 178.5 | -127.8 | 115.2 | 0 | 0 | 0 | 112.3 | L915 A916 M917 L922 T923 A995 L998 V999 L1054 S1057 L1058 | L915-L919 HydrophobicContact CG-CD1 4.29Å; L915-L919 HydrophobicContact CG-CG 4.47Å; L915-L919 VanDerWaalsContact O-CB 3.28Å; L915-L919 WeakPolarHBondContact O-CB 3.48Å; L915-L919 WeakPolarHBondContact O-CG 3.39Å; L915-L919 PolarHBondContact O-N 3.1Å; A916-L919 PolarHBondContact O-N 2.9Å; M917-L919 VanDerWaalsContact C-N 3.35Å; M917-L919 PolarHBondContact O-N 3.33Å; L919-L922 PolarHBondContact O-N 3.3Å; L919-T923 HydrophobicContact CD1-CG2 4.18Å; L919-T923 WeakPolarHBondContact O-CB 3.18Å; L919-T923 WeakPolarHBondContact O-CG2 3.39Å; L919-T923 PolarHBondContact O-N 3.09Å; L919-T923 VanDerWaalsContact O-N 3.15Å; L919-T923 PolarHBondContact O-OG1 3.1Å; L919-A995 HydrophobicContact CD1-CB 3.73Å; L919-A995 HydrophobicContact CD2-CB 4.28Å; L919-L998 HydrophobicContact CD1-CB 4.47Å; L919-L998 HydrophobicContact CD2-CB 3.73Å; L919-L998 HydrophobicContact CD2-CD1 3.96Å; L919-L998 HydrophobicContact CG-CD1 4.46Å; L919-V999 HydrophobicContact CD1-CG2 3.99Å; L919-V999 HydrophobicContact CD2-CG2 4.03Å; L919-L1054 HydrophobicContact CD1-CD2 3.56Å; L919-L1054 HydrophobicContact CD2-CD2 4.13Å; L919-S1057 WeakPolarHBondContact CD2-OG 3.49Å; L919-L1058 HydrophobicContact CB-CD2 4.34Å; L919-L1058 HydrophobicContact CD1-CD2 4.04Å; L919-L1058 HydrophobicContact CD2-CD1 4.05Å; L919-L1058 HydrophobicContact CD2-CD2 3.87Å; L919-L1058 HydrophobicContact CD2-CG 3.82Å; L919-L1058 HydrophobicContact CG-CD2 3.75Å; L919-L1058 HydrophobicContact CG-CG 4.18Å |
| 920 | H | 82.5 | Confident | 79.5 | Confident | 12.75 Ų | 12.75 | 10.4 Ų | 10.4 | 6% | 0.059 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.3 | -49.6 | 175.7 | -174.7 | 87.5 | 0 | 0 | 0 | 111 | A916 M917 L918 L922 T923 S924 S1057 D1060 L1231 I1234 | A916-H920 WeakPolarHBondContact O-CB 3.41Å; A916-H920 PolarHBondContact O-N 3.24Å; M917-H920 PolarHBondContact O-N 2.97Å; L918-H920 VanDerWaalsContact C-N 3.32Å; L918-H920 PolarHBondContact O-N 3.07Å; H920-L922 VanDerWaalsContact C-N 3.25Å; H920-L922 PolarHBondContact O-N 2.97Å; H920-L922 VanDerWaalsContact O-N 3.13Å; H920-T923 PolarHBondContact O-N 2.91Å; H920-T923 VanDerWaalsContact O-N 3.13Å; H920-T923 PolarHBondContact O-OG1 3.19Å; H920-S924 PolarHBondContact CD2-OG 2.97Å; H920-S924 VanDerWaalsContact CE1-CB 3.5Å; H920-S924 WeakPolarHBondContact CE1-CB 3.41Å; H920-S924 PolarHBondContact CE1-OG 3.31Å; H920-S924 VanDerWaalsContact CE1-OG 3.23Å; H920-S924 VanDerWaalsContact NE2-CB 3.31Å; H920-S924 WeakPolarHBondContact NE2-CB 3.34Å; H920-S924 PolarHBondContact NE2-OG 3.21Å; H920-S924 WeakPolarHBondContact O-CB 3.39Å; H920-S924 PolarHBondContact O-N 3.25Å; H920-S924 PolarHBondContact O-OG 3.24Å; H920-S924 VanDerWaalsContact O-OG 3.13Å; H920-S1057 PolarHBondContact ND1-O 3.17Å; H920-S1057 VanDerWaalsContact ND1-O 3.15Å; H920-D1060 IonicContact CE1-OD2 3.41Å; H920-D1060 PolarHBondContact CE1-OD2 3.38Å; H920-D1060 VanDerWaalsContact CE1-OD2 3.31Å; H920-L1231 HydrophobicContact CB-CD2 4.31Å; H920-I1234 HydrophobicContact CB-CD1 3.77Å; H920-I1234 HydrophobicContact CB-CG2 4.33Å; H920-I1234 WeakPolarHBondContact CD2-CG2 3.29Å; H920-I1234 WeakPolarHBondContact NE2-CG2 3.39Å |
| 921 | R | 80.2 | Confident | 78.3 | Confident | 23.5 Ų | 23.5 | 13 Ų | 13 | 9% | 0.089 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.9 | -29.2 | 179.2 | -71.6 | -72.7 | -80.5 | 172.7 | -7.4 | 113.5 | C844 I846 P848 L851 M917 L918 S926 F985 I1234 | C844-R921 PolarHBondContact O-NE 3.19Å; C844-R921 PolarHBondContact O-NH2 3.01Å; C844-R921 VanDerWaalsContact SG-CD 3.52Å; I846-R921 PolarHBondContact O-NH2 3.03Å; P848-R921 WeakPolarHBondContact CB-O 3.37Å; L851-R921 HydrophobicContact CD1-CB 4.39Å; M917-R921 WeakPolarHBondContact O-CG 3.4Å; M917-R921 PolarHBondContact O-N 3.16Å; M917-R921 VanDerWaalsContact O-N 3.1Å; L918-R921 PolarHBondContact O-N 3.11Å; R921-S926 PolarHBondContact NH1-OG 3.4Å; R921-F985 WeakPolarHBondContact O-CE1 3.47Å; R921-I1234 HydrophobicContact CG-CD1 4.44Å; R921-I1234 HydrophobicContact CG-CG1 4.43Å; R921-I1234 HydrophobicContact CG-CG2 4.14Å |
| 922 | L | 82.4 | Confident | 77 | Confident | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -80.8 | -23.1 | 177.7 | -67.5 | 171 | 0 | 0 | 0 | 114 | L851 V852 L918 L919 H920 T991 L994 A995 L998 | L851-L922 HydrophobicContact CB-CD2 4.45Å; L851-L922 HydrophobicContact CD1-CD2 4.29Å; V852-L922 HydrophobicContact CG2-CD2 4.27Å; L918-L922 HydrophobicContact CD1-CD1 4.37Å; L918-L922 HydrophobicContact CD2-CD1 3.69Å; L918-L922 HydrophobicContact CG-CD1 4.28Å; L918-L922 VanDerWaalsContact O-CG 3.29Å; L918-L922 WeakPolarHBondContact O-CG 3.32Å; L918-L922 PolarHBondContact O-N 3.06Å; L918-L922 VanDerWaalsContact O-N 3.13Å; L919-L922 PolarHBondContact O-N 3.3Å; H920-L922 VanDerWaalsContact C-N 3.25Å; H920-L922 PolarHBondContact O-N 2.97Å; H920-L922 VanDerWaalsContact O-N 3.13Å; L922-T991 HydrophobicContact CD2-CG2 3.97Å; L922-T991 WeakPolarHBondContact O-CB 3.31Å; L922-T991 PolarHBondContact O-OG1 3.2Å; L922-T991 VanDerWaalsContact O-OG1 3.06Å; L922-L994 HydrophobicContact CD1-CB 4.42Å; L922-L994 HydrophobicContact CD1-CD2 3.78Å; L922-L994 HydrophobicContact CD1-CG 3.95Å; L922-L994 HydrophobicContact CD2-CD2 4.11Å; L922-A995 HydrophobicContact CB-CB 4.12Å; L922-A995 HydrophobicContact CD1-CB 4.47Å; L922-L998 HydrophobicContact CD1-CD1 3.96Å |
| 923 | T | 78.1 | Confident | 75.8 | Confident | 5.5 Ų | 5.5 | 14.4 Ų | 14.4 | 3% | 0.034 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -116.3 | -25.4 | -169.3 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | L919 H920 P987 A995 L1058 A1061 F1117 | L919-T923 HydrophobicContact CD1-CG2 4.18Å; L919-T923 WeakPolarHBondContact O-CB 3.18Å; L919-T923 WeakPolarHBondContact O-CG2 3.39Å; L919-T923 PolarHBondContact O-N 3.09Å; L919-T923 VanDerWaalsContact O-N 3.15Å; L919-T923 PolarHBondContact O-OG1 3.1Å; H920-T923 PolarHBondContact O-N 2.91Å; H920-T923 VanDerWaalsContact O-N 3.13Å; H920-T923 PolarHBondContact O-OG1 3.19Å; T923-P987 VanDerWaalsContact O-CG 3.28Å; T923-P987 WeakPolarHBondContact O-CG 3.41Å; T923-A995 HydrophobicContact CG2-CB 3.4Å; T923-A995 VanDerWaalsContact CG2-CB 3.44Å; T923-L1058 HydrophobicContact CG2-CD2 4.07Å; T923-A1061 VanDerWaalsContact O-CB 3.25Å; T923-A1061 WeakPolarHBondContact O-CB 3.36Å; T923-F1117 HydrophobicContact CG2-CD2 3.83Å; T923-F1117 HydrophobicContact CG2-CE2 3.98Å; T923-F1117 HydrophobicContact CG2-CG 4.25Å; T923-F1117 HydrophobicContact CG2-CZ 4.34Å |
| 924 | S | 74.6 | Confident | 74.7 | Confident | 1.25 Ų | 1.25 | 15.3 Ų | 15.3 | 1% | 0.009 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -93.5 | 155.2 | -176.1 | 79.2 | 0 | 0 | 0 | 0 | 113 | H920 S926 P987 | H920-S924 PolarHBondContact CD2-OG 2.97Å; H920-S924 VanDerWaalsContact CE1-CB 3.5Å; H920-S924 WeakPolarHBondContact CE1-CB 3.41Å; H920-S924 PolarHBondContact CE1-OG 3.31Å; H920-S924 VanDerWaalsContact CE1-OG 3.23Å; H920-S924 VanDerWaalsContact NE2-CB 3.31Å; H920-S924 WeakPolarHBondContact NE2-CB 3.34Å; H920-S924 PolarHBondContact NE2-OG 3.21Å; H920-S924 WeakPolarHBondContact O-CB 3.39Å; H920-S924 PolarHBondContact O-N 3.25Å; H920-S924 PolarHBondContact O-OG 3.24Å; H920-S924 VanDerWaalsContact O-OG 3.13Å; S924-S926 PolarHBondContact O-N 3.44Å; S924-P987 WeakPolarHBondContact O-CG 3.47Å |
| 925 | Y | 71 | Confident | 73.3 | Confident | 39.5 Ų | 39.5 | 15.8 Ų | 15.8 | 16% | 0.155 | 7% | 0.071 | C | C | . | . | trans | -73.9 | 124.4 | 164.6 | -69 | -102.6 | 0 | 0 | 0 | 108.1 | F985 K986 R1065 D1113 I1114 A1115 F1316 | Y925-F985 WeakPolarHBondContact CA-O 3.45Å; Y925-K986 HydrophobicContact CD1-CG 4.23Å; Y925-K986 HydrophobicContact CE1-CB 4.25Å; Y925-K986 HydrophobicContact CE1-CD 4.29Å; Y925-K986 HydrophobicContact CE1-CG 3.92Å; Y925-R1065 PolarHBondContact OH-NH1 3.32Å; Y925-R1065 PolarHBondContact OH-NH2 2.88Å; Y925-R1065 VanDerWaalsContact OH-NH2 3.15Å; Y925-D1113 PolarHBondContact OH-O 2.99Å; Y925-D1113 VanDerWaalsContact OH-O 3.08Å; Y925-I1114 HydrophobicContact CD2-CG2 4.41Å; Y925-I1114 HydrophobicContact CE2-CG2 3.92Å; Y925-I1114 WeakPolarHBondContact OH-CA 3.49Å; Y925-A1115 PolarHBondContact OH-N 3.11Å; Y925-A1115 VanDerWaalsContact OH-N 3.09Å; Y925-F1316 HydrophobicContact CG-CZ 4.12Å | ||
| 926 | S | 70.1 | Confident | 71.8 | Confident | 8 Ų | 8 | 16.8 Ų | 16.8 | 6% | 0.056 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 163 | 178.5 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | R921 S924 W984 F985 | R921-S926 PolarHBondContact NH1-OG 3.4Å; S924-S926 PolarHBondContact O-N 3.44Å; S926-W984 CarbonylContact O-C 3.54Å; S926-W984 WeakPolarHBondContact O-CA 3.3Å; S926-F985 PolarHBondContact N-O 3.04Å; S926-F985 PolarHBondContact O-N 2.83Å |
| 927 | I | 69 | Low | 69.9 | Low | 17.25 Ų | 17.25 | 19.2 Ų | 19.2 | 9% | 0.088 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 131.7 | -179.8 | -63.3 | 173.9 | 0 | 0 | 0 | 109.1 | L929 F983 W984 P1237 I1309 H1313 | I927-L929 HydrophobicContact CG2-CD2 3.77Å; I927-L929 HydrophobicContact CG2-CG 4.12Å; I927-F983 WeakPolarHBondContact CA-O 3.13Å; I927-F983 HydrophobicContact CB-CE1 4.43Å; I927-F983 HydrophobicContact CB-CZ 4.44Å; I927-F983 HydrophobicContact CD1-CE1 3.95Å; I927-F983 HydrophobicContact CD1-CZ 4.14Å; I927-F983 HydrophobicContact CG1-CD1 4.34Å; I927-F983 HydrophobicContact CG1-CE1 3.9Å; I927-F983 HydrophobicContact CG1-CZ 4.35Å; I927-F983 HydrophobicContact CG2-CD1 4.36Å; I927-F983 HydrophobicContact CG2-CD2 4.07Å; I927-F983 HydrophobicContact CG2-CE1 3.86Å; I927-F983 HydrophobicContact CG2-CE2 3.98Å; I927-F983 HydrophobicContact CG2-CG 4.37Å; I927-F983 HydrophobicContact CG2-CZ 3.62Å; I927-F983 VanDerWaalsContact CG2-CZ 3.48Å; I927-W984 HydrophobicContact CD1-CH2 4.15Å; I927-W984 HydrophobicContact CD1-CZ3 4.19Å; I927-W984 HydrophobicContact CG1-CE3 3.87Å; I927-W984 HydrophobicContact CG1-CH2 3.9Å; I927-W984 HydrophobicContact CG1-CZ3 3.49Å; I927-W984 VanDerWaalsContact CG1-CZ3 3.47Å; I927-P1237 HydrophobicContact CD1-CG 4.23Å; I927-I1309 HydrophobicContact CD1-CG2 3.71Å; I927-I1309 HydrophobicContact CG2-CG2 4.36Å; I927-H1313 HydrophobicContact CD1-CB 3.8Å |
| 928 | D | 68.8 | Low | 68.2 | Low | 26 Ų | 26 | 22 Ų | 22 | 14% | 0.139 | 10% | 0.103 | C | C | . | . | trans | -97.7 | 109.9 | 174.9 | -174.4 | 0.4 | 0 | 0 | 0 | 109.9 | R930 F932 F983 | D928-R930 VanDerWaalsContact CG-NE 3.31Å; D928-R930 VanDerWaalsContact OD1-CB 3.29Å; D928-R930 WeakPolarHBondContact OD1-CB 3.37Å; D928-R930 VanDerWaalsContact OD1-CG 3.24Å; D928-R930 WeakPolarHBondContact OD1-CG 3.29Å; D928-R930 IonicContact OD1-CZ 3.73Å; D928-R930 PolarHBondContact OD1-N 3.05Å; D928-R930 VanDerWaalsContact OD1-N 3.08Å; D928-R930 IonicContact OD1-NE 3.43Å; D928-R930 PolarHBondContact OD1-NE 3.31Å; D928-R930 VanDerWaalsContact OD1-NE 3.1Å; D928-R930 IonicContact OD1-NH2 3.28Å; D928-R930 IonicContact OD2-CZ 3.29Å; D928-R930 VanDerWaalsContact OD2-CZ 3.25Å; D928-R930 IonicContact OD2-NE 3.5Å; D928-R930 PolarHBondContact OD2-NE 3.1Å; D928-R930 VanDerWaalsContact OD2-NE 3.12Å; D928-R930 IonicContact OD2-NH2 3.06Å; D928-R930 PolarHBondContact OD2-NH2 3.26Å; D928-F932 VanDerWaalsContact O-CD2 3.31Å; D928-F932 WeakPolarHBondContact O-CD2 3.28Å; D928-F983 PolarHBondContact N-O 2.99Å; D928-F983 VanDerWaalsContact N-O 3.11Å | ||
| 929 | L | 66.6 | Low | 66.3 | Low | 15.25 Ų | 15.25 | 22.9 Ų | 22.9 | 8% | 0.08 | 11% | 0.109 | C | C | . | . | trans | -95.1 | 0.1 | -179.5 | -64.3 | 178.6 | 0 | 0 | 0 | 113.7 | W781 I784 D785 S786 I927 R931 F932 L934 F983 P1237 I1309 | W781-L929 HydrophobicContact CH2-CD1 4.37Å; W781-L929 HydrophobicContact CZ3-CD1 4.17Å; I784-L929 HydrophobicContact CD1-CD1 4.3Å; I784-L929 HydrophobicContact CG2-CB 4.05Å; I784-L929 HydrophobicContact CG2-CD1 4.07Å; D785-L929 CarbonylContact O-C 3.49Å; S786-L929 WeakPolarHBondContact CA-O 3.36Å; I927-L929 HydrophobicContact CG2-CD2 3.77Å; I927-L929 HydrophobicContact CG2-CG 4.12Å; L929-R931 PolarHBondContact O-N 3.19Å; L929-F932 HydrophobicContact CD2-CB 4.37Å; L929-F932 HydrophobicContact CD2-CD2 4.35Å; L929-F932 PolarHBondContact O-N 3.2Å; L929-L934 HydrophobicContact CD1-CD1 4.42Å; L929-L934 HydrophobicContact CD2-CD2 4.35Å; L929-F983 HydrophobicContact CD2-CE2 4.24Å; L929-P1237 HydrophobicContact CD1-CG 4.17Å; L929-I1309 HydrophobicContact CD2-CD1 4.16Å | ||
| 930 | R | 65 | Low | 64.4 | Low | 58.25 Ų | 58.25 | 24.1 Ų | 24.1 | 22% | 0.22 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -26.8 | -175.7 | -75.1 | -178.9 | -68.3 | -175.6 | 0.8 | 114.9 | D785 S786 P847 E849 D928 | D785-R930 HydrophobicContact CB-CG 4.12Å; D785-R930 VanDerWaalsContact O-CA 3.28Å; D785-R930 WeakPolarHBondContact O-CA 3.3Å; D785-R930 PolarHBondContact O-N 3.01Å; S786-R930 CarbonylContact C-O 3.46Å; S786-R930 VanDerWaalsContact CA-O 3.3Å; S786-R930 WeakPolarHBondContact CA-O 3.37Å; P847-R930 HydrophobicContact CG-CG 4.36Å; E849-R930 IonicContact OE2-CZ 3.12Å; E849-R930 VanDerWaalsContact OE2-CZ 3.26Å; E849-R930 IonicContact OE2-NH1 3.42Å; E849-R930 PolarHBondContact OE2-NH1 3.08Å; E849-R930 IonicContact OE2-NH2 3.46Å; E849-R930 PolarHBondContact OE2-NH2 2.95Å; D928-R930 VanDerWaalsContact CG-NE 3.31Å; D928-R930 VanDerWaalsContact OD1-CB 3.29Å; D928-R930 WeakPolarHBondContact OD1-CB 3.37Å; D928-R930 VanDerWaalsContact OD1-CG 3.24Å; D928-R930 WeakPolarHBondContact OD1-CG 3.29Å; D928-R930 IonicContact OD1-CZ 3.73Å; D928-R930 PolarHBondContact OD1-N 3.05Å; D928-R930 VanDerWaalsContact OD1-N 3.08Å; D928-R930 IonicContact OD1-NE 3.43Å; D928-R930 PolarHBondContact OD1-NE 3.31Å; D928-R930 VanDerWaalsContact OD1-NE 3.1Å; D928-R930 IonicContact OD1-NH2 3.28Å; D928-R930 IonicContact OD2-CZ 3.29Å; D928-R930 VanDerWaalsContact OD2-CZ 3.25Å; D928-R930 IonicContact OD2-NE 3.5Å; D928-R930 PolarHBondContact OD2-NE 3.1Å; D928-R930 VanDerWaalsContact OD2-NE 3.12Å; D928-R930 IonicContact OD2-NH2 3.06Å; D928-R930 PolarHBondContact OD2-NH2 3.26Å |
| 931 | R | 58.9 | Low | 62.6 | Low | 54.25 Ų | 54.25 | 26.7 Ų | 26.7 | 21% | 0.205 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 3.8 | -173.7 | -57.6 | -178.5 | -179.8 | -152.4 | -4.3 | 113.5 | D789 L929 Y971 H980 H981 | D789-R931 IonicContact OD2-NH2 3.59Å; L929-R931 PolarHBondContact O-N 3.19Å; R931-Y971 WeakPolarHBondContact CD-OH 3.48Å; R931-Y971 PolarHBondContact NH1-OH 3.39Å; R931-H980 VanDerWaalsContact CZ-O 3.27Å; R931-H980 PolarHBondContact NE-O 3.03Å; R931-H980 VanDerWaalsContact NH1-C 3.33Å; R931-H980 PolarHBondContact NH1-O 3.25Å; R931-H980 PolarHBondContact NH2-O 2.88Å; R931-H980 VanDerWaalsContact NH2-O 3.1Å; R931-H981 PolarHBondContact NH1-CD2 3.11Å; R931-H981 PolarHBondContact NH1-CE1 3.27Å; R931-H981 PolarHBondContact NH1-ND1 3.25Å; R931-H981 PolarHBondContact NH1-NE2 3.19Å; R931-H981 PolarHBondContact NH2-CE1 2.99Å; R931-H981 PolarHBondContact NH2-ND1 3.3Å |
| 932 | F | 60.9 | Low | 60.8 | Low | 14.25 Ų | 14.25 | 30.6 Ų | 30.6 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | trans | -120.3 | 92.1 | -178.3 | -59.3 | -73.8 | 0 | 0 | 0 | 108.3 | D928 L929 L934 V939 I968 Y971 F983 | D928-F932 VanDerWaalsContact O-CD2 3.31Å; D928-F932 WeakPolarHBondContact O-CD2 3.28Å; L929-F932 HydrophobicContact CD2-CB 4.37Å; L929-F932 HydrophobicContact CD2-CD2 4.35Å; L929-F932 PolarHBondContact O-N 3.2Å; F932-L934 PolarHBondContact O-N 3.34Å; F932-V939 HydrophobicContact CD1-CG1 4.09Å; F932-V939 HydrophobicContact CD1-CG2 4.09Å; F932-V939 HydrophobicContact CE1-CB 4.38Å; F932-V939 HydrophobicContact CE1-CG1 3.74Å; F932-V939 HydrophobicContact CE1-CG2 4Å; F932-V939 HydrophobicContact CZ-CG1 4.33Å; F932-I968 HydrophobicContact CD1-CB 4.41Å; F932-I968 HydrophobicContact CD1-CD1 4.07Å; F932-I968 HydrophobicContact CD1-CG1 3.91Å; F932-I968 HydrophobicContact CD1-CG2 4.24Å; F932-I968 HydrophobicContact CE1-CB 4.2Å; F932-I968 HydrophobicContact CE1-CD1 4.3Å; F932-I968 HydrophobicContact CE1-CG1 4.01Å; F932-I968 HydrophobicContact CE1-CG2 3.79Å; F932-I968 HydrophobicContact CG-CD1 4.28Å; F932-I968 HydrophobicContact CZ-CG2 4.05Å; F932-Y971 HydrophobicContact CE1-CD1 4.27Å; F932-Y971 HydrophobicContact CZ-CD1 4.27Å; F932-Y971 HydrophobicContact CZ-CE1 4.35Å; F932-F983 AromaticContact CD2-CD2 3.95Å; F932-F983 HydrophobicContact CD2-CD2 4.25Å; F932-F983 HydrophobicContact CD2-CE2 4.37Å; F932-F983 HydrophobicContact CE1-CD2 4.38Å; F932-F983 HydrophobicContact CE2-CB 3.96Å; F932-F983 AromaticContact CE2-CD2 3.8Å; F932-F983 HydrophobicContact CE2-CD2 3.8Å; F932-F983 HydrophobicContact CE2-CE2 4.27Å; F932-F983 HydrophobicContact CE2-CG 4.43Å; F932-F983 HydrophobicContact CG-CD2 4.32Å; F932-F983 HydrophobicContact CZ-CB 4.01Å; F932-F983 AromaticContact CZ-CD2 3.61Å; F932-F983 HydrophobicContact CZ-CD2 4.08Å; F932-F983 HydrophobicContact CZ-CE2 4.2Å | ||
| 933 | N | 60.4 | Low | 58.8 | Low | 15.5 Ų | 15.5 | 36.5 Ų | 36.5 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | trans | -68.8 | 115.5 | 160.3 | -174.6 | -15.9 | 0 | 0 | 0 | 107.8 | S745 S746 L935 D936 N937 | S745-N933 VanDerWaalsContact CB-OD1 3.25Å; S745-N933 WeakPolarHBondContact CB-OD1 3.28Å; S745-N933 VanDerWaalsContact OG-CG 3.23Å; S745-N933 PolarHBondContact OG-ND2 3.02Å; S745-N933 PolarHBondContact OG-OD1 3.15Å; S746-N933 PolarHBondContact OG-ND2 3Å; S746-N933 VanDerWaalsContact OG-ND2 3.13Å; N933-L935 PolarHBondContact O-N 3.11Å; N933-L935 VanDerWaalsContact O-N 3.1Å; N933-L935 PolarHBondContact OD1-N 2.96Å; N933-L935 VanDerWaalsContact OD1-N 3.13Å; N933-D936 HydrophobicContact CB-CB 3.82Å; N933-D936 WeakPolarHBondContact CB-OD2 3.18Å; N933-D936 VanDerWaalsContact CG-CB 3.44Å; N933-D936 VanDerWaalsContact CG-CG 3.44Å; N933-D936 VanDerWaalsContact ND2-CB 3.31Å; N933-D936 WeakPolarHBondContact ND2-CB 3.26Å; N933-D936 PolarHBondContact ND2-OD1 2.96Å; N933-D936 PolarHBondContact ND2-OD2 3.21Å; N933-D936 PolarHBondContact O-N 3.27Å; N933-D936 PolarHBondContact OD1-N 3.41Å; N933-N937 PolarHBondContact O-N 2.92Å | ||
| 934 | L | 60.2 | Low | 57.1 | Low | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.7 | -174.7 | -67.5 | 173.2 | 0 | 0 | 0 | 113.6 | L742 W781 L929 F932 I1305 I1306 I1309 | L742-L934 HydrophobicContact CD2-CD1 3.79Å; W781-L934 HydrophobicContact CZ3-CD1 4.33Å; L929-L934 HydrophobicContact CD1-CD1 4.42Å; L929-L934 HydrophobicContact CD2-CD2 4.35Å; F932-L934 PolarHBondContact O-N 3.34Å; L934-I1305 HydrophobicContact CB-CD1 4.27Å; L934-I1305 HydrophobicContact CD2-CB 4.03Å; L934-I1305 HydrophobicContact CD2-CD1 4Å; L934-I1305 HydrophobicContact CD2-CG2 4.02Å; L934-I1305 WeakPolarHBondContact O-CD1 3.18Å; L934-I1306 HydrophobicContact CB-CD1 4.24Å; L934-I1306 HydrophobicContact CB-CG1 3.89Å; L934-I1306 HydrophobicContact CD1-CG1 4.32Å; L934-I1306 HydrophobicContact CD2-CG1 4.1Å; L934-I1306 HydrophobicContact CG-CG1 4.31Å; L934-I1309 HydrophobicContact CD2-CD1 3.63Å; L934-I1309 VanDerWaalsContact CD2-CD1 3.44Å |
| 935 | L | 58.9 | Low | 55.7 | Low | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -13.8 | 177.3 | -63.4 | 175.3 | 0 | 0 | 0 | 113.8 | L636 T638 P639 L742 N933 N937 P961 | L636-L935 WeakPolarHBondContact O-CD2 3.17Å; T638-L935 WeakPolarHBondContact O-CD1 3.49Å; P639-L935 HydrophobicContact CB-CB 4.23Å; L742-L935 WeakPolarHBondContact O-CD1 3.29Å; N933-L935 PolarHBondContact O-N 3.11Å; N933-L935 VanDerWaalsContact O-N 3.1Å; N933-L935 PolarHBondContact OD1-N 2.96Å; N933-L935 VanDerWaalsContact OD1-N 3.13Å; L935-N937 PolarHBondContact O-N 3.26Å; L935-P961 WeakPolarHBondContact CA-O 3.3Å; L935-P961 HydrophobicContact CD2-CB 3.62Å; L935-P961 VanDerWaalsContact CD2-CB 3.45Å; L935-P961 WeakPolarHBondContact O-CG 3.42Å |
| 936 | D | 55.8 | Low | 54.5 | Low | 22.5 Ų | 22.5 | 49.7 Ų | 49.7 | 12% | 0.12 | 25% | 0.245 | C | C | . | . | trans | -94.6 | 104 | -179.4 | -88.8 | -12.4 | 0 | 0 | 0 | 111.7 | W641 S746 N933 I938 V963 | W641-D936 WeakPolarHBondContact CZ2-OD1 3.47Å; W641-D936 PolarHBondContact NE1-OD1 3.47Å; S746-D936 WeakPolarHBondContact CB-OD2 3.44Å; S746-D936 PolarHBondContact OG-OD1 3.17Å; N933-D936 HydrophobicContact CB-CB 3.82Å; N933-D936 WeakPolarHBondContact CB-OD2 3.18Å; N933-D936 VanDerWaalsContact CG-CB 3.44Å; N933-D936 VanDerWaalsContact CG-CG 3.44Å; N933-D936 VanDerWaalsContact ND2-CB 3.31Å; N933-D936 WeakPolarHBondContact ND2-CB 3.26Å; N933-D936 PolarHBondContact ND2-OD1 2.96Å; N933-D936 PolarHBondContact ND2-OD2 3.21Å; N933-D936 PolarHBondContact O-N 3.27Å; N933-D936 PolarHBondContact OD1-N 3.41Å; D936-I938 VanDerWaalsContact C-N 3.29Å; D936-I938 HydrophobicContact CB-CD1 3.88Å; D936-I938 HydrophobicContact CB-CG1 4.05Å; D936-I938 PolarHBondContact O-N 3.1Å; D936-V963 WeakPolarHBondContact O-CG2 3.22Å | ||
| 937 | N | 48 | Very low | 53.3 | Low | 50.5 Ų | 50.5 | 54.7 Ų | 54.7 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -43.2 | -2.7 | -175.6 | -91.1 | -27.7 | 0 | 0 | 0 | 115.2 | N933 L935 V939 K949 W959 S960 P961 F962 V963 | N933-N937 PolarHBondContact O-N 2.92Å; L935-N937 PolarHBondContact O-N 3.26Å; N937-V939 PolarHBondContact O-N 3.4Å; N937-K949 PolarHBondContact O-NZ 3.44Å; N937-W959 VanDerWaalsContact ND2-CD1 3.3Å; N937-W959 PolarHBondContact ND2-NE1 3.31Å; N937-S960 VanDerWaalsContact CG-O 3.29Å; N937-S960 PolarHBondContact ND2-O 3.22Å; N937-S960 VanDerWaalsContact ND2-O 3.11Å; N937-S960 PolarHBondContact ND2-OG 3.24Å; N937-S960 PolarHBondContact OD1-O 3.1Å; N937-S960 PolarHBondContact OD1-OG 3.08Å; N937-P961 HydrophobicContact CB-CB 3.33Å; N937-P961 HydrophobicContact CB-CG 4.35Å; N937-P961 VanDerWaalsContact CG-C 3.48Å; N937-P961 VanDerWaalsContact CG-CA 3.49Å; N937-P961 WeakPolarHBondContact ND2-CA 3.31Å; N937-P961 WeakPolarHBondContact ND2-CB 3.5Å; N937-P961 WeakPolarHBondContact OD1-CA 3.46Å; N937-P961 WeakPolarHBondContact OD1-CB 3.46Å; N937-P961 PolarHBondContact OD1-O 3.33Å; N937-F962 WeakPolarHBondContact OD1-CA 3.23Å; N937-F962 PolarHBondContact OD1-N 2.86Å; N937-F962 PolarHBondContact OD1-O 3.12Å; N937-V963 WeakPolarHBondContact OD1-CA 3.35Å; N937-V963 WeakPolarHBondContact OD1-CG2 3.39Å; N937-V963 PolarHBondContact OD1-N 3.23Å |
| 938 | I | 48.8 | Very low | 52.4 | Low | 60.25 Ų | 60.25 | 58 Ų | 58 | 31% | 0.309 | 29% | 0.289 | S | S | . | . | trans | -111.8 | 107.7 | -172.1 | -52.9 | 174.6 | 0 | 0 | 0 | 109.2 | D936 S940 Q946 N948 K949 | D936-I938 VanDerWaalsContact C-N 3.29Å; D936-I938 HydrophobicContact CB-CD1 3.88Å; D936-I938 HydrophobicContact CB-CG1 4.05Å; D936-I938 PolarHBondContact O-N 3.1Å; I938-S940 VanDerWaalsContact CG2-CB 3.42Å; I938-S940 PolarHBondContact O-N 3.19Å; I938-S940 PolarHBondContact O-OG 2.98Å; I938-S940 VanDerWaalsContact O-OG 3.11Å; I938-Q946 HydrophobicContact CD1-CG 3.94Å; I938-N948 HydrophobicContact CD1-CB 4.45Å; I938-K949 HydrophobicContact CD1-CG 4.12Å | ||
| 939 | V | 46.8 | Very low | 51.6 | Low | 23.25 Ų | 23.25 | 59.6 Ų | 59.6 | 14% | 0.141 | 30% | 0.295 | C | S | . | . | trans | -80 | 98 | 158.3 | -159.6 | 0 | 0 | 0 | 0 | 107 | F932 N937 V941 V963 I968 Y971 | F932-V939 HydrophobicContact CD1-CG1 4.09Å; F932-V939 HydrophobicContact CD1-CG2 4.09Å; F932-V939 HydrophobicContact CE1-CB 4.38Å; F932-V939 HydrophobicContact CE1-CG1 3.74Å; F932-V939 HydrophobicContact CE1-CG2 4Å; F932-V939 HydrophobicContact CZ-CG1 4.33Å; N937-V939 PolarHBondContact O-N 3.4Å; V939-V941 PolarHBondContact O-N 3.03Å; V939-V963 HydrophobicContact CG2-CG1 3.91Å; V939-I968 HydrophobicContact CG2-CG1 3.99Å; V939-Y971 HydrophobicContact CB-CD1 4.12Å; V939-Y971 HydrophobicContact CB-CD2 3.78Å; V939-Y971 HydrophobicContact CB-CE1 4.39Å; V939-Y971 HydrophobicContact CB-CE2 4.04Å; V939-Y971 HydrophobicContact CB-CG 3.91Å; V939-Y971 HydrophobicContact CG1-CD1 3.57Å; V939-Y971 HydrophobicContact CG1-CD2 3.44Å; V939-Y971 VanDerWaalsContact CG1-CD2 3.46Å; V939-Y971 HydrophobicContact CG1-CE1 3.86Å; V939-Y971 HydrophobicContact CG1-CE2 3.73Å; V939-Y971 HydrophobicContact CG1-CG 3.34Å; V939-Y971 VanDerWaalsContact CG1-CG 3.41Å; V939-Y971 HydrophobicContact CG2-CD2 4.39Å; V939-Y971 HydrophobicContact CG2-CG 4.15Å; V939-Y971 WeakPolarHBondContact O-CD2 3.34Å; V939-Y971 WeakPolarHBondContact O-CE2 2.95Å | ||
| 940 | S | 46.5 | Very low | 51.1 | Low | 28.25 Ų | 28.25 | 59.5 Ų | 59.5 | 20% | 0.198 | 30% | 0.296 | C | S | . | . | trans | -64.7 | 123.4 | -168.1 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | I938 K949 Y971 | I938-S940 VanDerWaalsContact CG2-CB 3.42Å; I938-S940 PolarHBondContact O-N 3.19Å; I938-S940 PolarHBondContact O-OG 2.98Å; I938-S940 VanDerWaalsContact O-OG 3.11Å; S940-K949 WeakPolarHBondContact OG-CE 3.43Å; S940-Y971 VanDerWaalsContact O-CE2 3.29Å; S940-Y971 WeakPolarHBondContact O-CE2 3.38Å; S940-Y971 PolarHBondContact O-OH 2.86Å; S940-Y971 PolarHBondContact OG-OH 3.16Å | ||
| 941 | V | 43 | Very low | 50.8 | Low | 67.25 Ų | 67.25 | 59.1 Ų | 59.1 | 41% | 0.408 | 30% | 0.298 | S | S | . | . | trans | -111.2 | -20.4 | 170.3 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | V939 Q945 Y971 H975 | V939-V941 PolarHBondContact O-N 3.03Å; V941-Q945 WeakPolarHBondContact O-CG 3.21Å; V941-Q945 PolarHBondContact O-OE1 2.96Å; V941-Y971 HydrophobicContact CG2-CD2 4.45Å; V941-Y971 HydrophobicContact CG2-CE2 3.95Å; V941-H975 WeakPolarHBondContact CG2-NE2 3.06Å | ||
| 942 | D | 42.5 | Very low | 50.9 | Low | 104.75 Ų | 104.75 | 58 Ų | 58 | 56% | 0.56 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -150.5 | 142.3 | -174.6 | -70.4 | -46.9 | 0 | 0 | 0 | 115.7 | Q944 Q945 | D942-Q944 PolarHBondContact O-N 3.07Å; D942-Q944 VanDerWaalsContact O-N 3.12Å; D942-Q945 WeakPolarHBondContact O-CB 3.23Å; D942-Q945 PolarHBondContact O-N 3.19Å |
| 943 | K | 41.5 | Very low | 51.2 | Low | 124.75 Ų | 124.75 | 57.7 Ų | 57.7 | 54% | 0.542 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54.3 | -31 | 177.7 | -71.6 | -177.6 | 174.2 | -178.7 | 0 | 113.8 | N791 Q945 Q946 L947 | N791-K943 PolarHBondContact ND2-NZ 3.39Å; N791-K943 PolarHBondContact OD1-NZ 2.85Å; K943-Q945 VanDerWaalsContact C-N 3.27Å; K943-Q945 PolarHBondContact O-N 3.24Å; K943-Q946 WeakPolarHBondContact O-CB 3.35Å; K943-Q946 WeakPolarHBondContact O-CG 3.43Å; K943-Q946 PolarHBondContact O-N 3.04Å; K943-Q946 VanDerWaalsContact O-N 3.12Å; K943-Q946 PolarHBondContact O-OE1 2.88Å; K943-L947 PolarHBondContact O-N 2.91Å |
| 944 | Q | 42.3 | Very low | 51.5 | Low | 164.75 Ų | 164.75 | 57.3 Ų | 57.3 | 77% | 0.77 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.4 | -24.3 | 177.7 | -73.7 | -178.6 | -24.6 | 0 | 0 | 113.1 | D942 Q946 N948 | D942-Q944 PolarHBondContact O-N 3.07Å; D942-Q944 VanDerWaalsContact O-N 3.12Å; Q944-Q946 VanDerWaalsContact C-N 3.26Å; Q944-Q946 PolarHBondContact O-N 2.83Å; Q944-N948 WeakPolarHBondContact O-CB 3.41Å; Q944-N948 PolarHBondContact O-N 2.73Å; Q944-N948 PolarHBondContact O-ND2 3.13Å; Q944-N948 PolarHBondContact O-OD1 2.87Å |
| 945 | Q | 45.2 | Very low | 51.7 | Low | 86.75 Ų | 86.75 | 58.5 Ų | 58.5 | 41% | 0.405 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -82.4 | -10.5 | 176.8 | -66.5 | -176.1 | -8.4 | 0 | 0 | 113.1 | V941 D942 K943 N948 K949 | V941-Q945 WeakPolarHBondContact O-CG 3.21Å; V941-Q945 PolarHBondContact O-OE1 2.96Å; D942-Q945 WeakPolarHBondContact O-CB 3.23Å; D942-Q945 PolarHBondContact O-N 3.19Å; K943-Q945 VanDerWaalsContact C-N 3.27Å; K943-Q945 PolarHBondContact O-N 3.24Å; Q945-N948 CarbonylContact O-C 3.48Å; Q945-N948 WeakPolarHBondContact O-CB 3.14Å; Q945-N948 PolarHBondContact O-N 3.28Å; Q945-K949 WeakPolarHBondContact O-CG 3.48Å; Q945-K949 PolarHBondContact O-N 3.15Å |
| 946 | Q | 45 | Very low | 52 | Low | 72.25 Ų | 72.25 | 59.3 Ų | 59.3 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.8 | -40.2 | 177.3 | -75.4 | 174.9 | -23.3 | 0 | 0 | 112.7 | D790 I938 K943 Q944 N948 K949 A950 | D790-Q946 VanDerWaalsContact CG-NE2 3.33Å; D790-Q946 PolarHBondContact OD1-NE2 3Å; D790-Q946 PolarHBondContact OD1-OE1 2.88Å; D790-Q946 PolarHBondContact OD2-NE2 2.75Å; I938-Q946 HydrophobicContact CD1-CG 3.94Å; K943-Q946 WeakPolarHBondContact O-CB 3.35Å; K943-Q946 WeakPolarHBondContact O-CG 3.43Å; K943-Q946 PolarHBondContact O-N 3.04Å; K943-Q946 VanDerWaalsContact O-N 3.12Å; K943-Q946 PolarHBondContact O-OE1 2.88Å; Q944-Q946 VanDerWaalsContact C-N 3.26Å; Q944-Q946 PolarHBondContact O-N 2.83Å; Q946-N948 VanDerWaalsContact C-N 3.29Å; Q946-N948 PolarHBondContact O-N 3.18Å; Q946-K949 HydrophobicContact CB-CD 4.44Å; Q946-K949 HydrophobicContact CG-CD 4.33Å; Q946-K949 WeakPolarHBondContact O-CB 3.35Å; Q946-K949 WeakPolarHBondContact O-CD 3.33Å; Q946-K949 VanDerWaalsContact O-CG 3.28Å; Q946-K949 WeakPolarHBondContact O-CG 3.14Å; Q946-K949 PolarHBondContact O-N 3.25Å; Q946-K949 VanDerWaalsContact O-N 3.14Å; Q946-A950 PolarHBondContact O-N 3.43Å |
| 947 | L | 44.4 | Very low | 52.2 | Low | 111.75 Ų | 111.75 | 61.2 Ų | 61.2 | 59% | 0.585 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.6 | -44 | 172.1 | -89.4 | 140.5 | 0 | 0 | 0 | 110.4 | M646 T649 K943 K949 A950 D951 | M646-L947 WeakPolarHBondContact CE-O 3.38Å; T649-L947 HydrophobicContact CG2-CD1 4.22Å; T649-L947 HydrophobicContact CG2-CD2 4.14Å; K943-L947 PolarHBondContact O-N 2.91Å; L947-K949 PolarHBondContact O-N 3.13Å; L947-K949 VanDerWaalsContact O-N 3.11Å; L947-A950 WeakPolarHBondContact O-CB 3.42Å; L947-A950 PolarHBondContact O-N 2.91Å; L947-A950 VanDerWaalsContact O-N 3.13Å; L947-D951 WeakPolarHBondContact O-CB 3.08Å; L947-D951 VanDerWaalsContact O-CG 3.25Å; L947-D951 PolarHBondContact O-N 2.96Å; L947-D951 VanDerWaalsContact O-OD2 3.07Å |
| 948 | N | 49.8 | Very low | 52.8 | Low | 88.5 Ų | 88.5 | 64.5 Ų | 64.5 | 47% | 0.473 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.5 | -11.1 | 178.8 | -60.8 | 1.6 | 0 | 0 | 0 | 114.4 | I938 Q944 Q945 Q946 S952 | I938-N948 HydrophobicContact CD1-CB 4.45Å; Q944-N948 WeakPolarHBondContact O-CB 3.41Å; Q944-N948 PolarHBondContact O-N 2.73Å; Q944-N948 PolarHBondContact O-ND2 3.13Å; Q944-N948 PolarHBondContact O-OD1 2.87Å; Q945-N948 CarbonylContact O-C 3.48Å; Q945-N948 WeakPolarHBondContact O-CB 3.14Å; Q945-N948 PolarHBondContact O-N 3.28Å; Q946-N948 VanDerWaalsContact C-N 3.29Å; Q946-N948 PolarHBondContact O-N 3.18Å; N948-S952 WeakPolarHBondContact O-CB 3.31Å; N948-S952 PolarHBondContact O-N 2.97Å; N948-S952 PolarHBondContact O-OG 3.46Å |
| 949 | K | 52.8 | Low | 53.3 | Low | 59.5 Ų | 59.5 | 63.5 Ų | 63.5 | 26% | 0.259 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.7 | -54.1 | -179.3 | -76.6 | 178.2 | -179.6 | -179.8 | 0 | 111.9 | W641 D790 N937 I938 S940 Q945 Q946 L947 D951 S952 Y953 | W641-K949 HydrophobicContact CH2-CB 4.17Å; W641-K949 WeakPolarHBondContact CH2-O 3.39Å; D790-K949 IonicContact OD2-NZ 3.71Å; D790-K949 PolarHBondContact OD2-NZ 2.96Å; D790-K949 VanDerWaalsContact OD2-NZ 3.16Å; N937-K949 PolarHBondContact O-NZ 3.44Å; I938-K949 HydrophobicContact CD1-CG 4.12Å; S940-K949 WeakPolarHBondContact OG-CE 3.43Å; Q945-K949 WeakPolarHBondContact O-CG 3.48Å; Q945-K949 PolarHBondContact O-N 3.15Å; Q946-K949 HydrophobicContact CB-CD 4.44Å; Q946-K949 HydrophobicContact CG-CD 4.33Å; Q946-K949 WeakPolarHBondContact O-CB 3.35Å; Q946-K949 WeakPolarHBondContact O-CD 3.33Å; Q946-K949 VanDerWaalsContact O-CG 3.28Å; Q946-K949 WeakPolarHBondContact O-CG 3.14Å; Q946-K949 PolarHBondContact O-N 3.25Å; Q946-K949 VanDerWaalsContact O-N 3.14Å; L947-K949 PolarHBondContact O-N 3.13Å; L947-K949 VanDerWaalsContact O-N 3.11Å; K949-D951 VanDerWaalsContact C-N 3.32Å; K949-D951 PolarHBondContact O-N 3.06Å; K949-S952 VanDerWaalsContact C-N 3.35Å; K949-S952 VanDerWaalsContact CA-OG 3.25Å; K949-S952 WeakPolarHBondContact CA-OG 3.14Å; K949-S952 CarbonylContact O-C 3.5Å; K949-S952 WeakPolarHBondContact O-CA 3.49Å; K949-S952 WeakPolarHBondContact O-CB 3.32Å; K949-S952 PolarHBondContact O-N 3.35Å; K949-S952 VanDerWaalsContact O-N 3.12Å; K949-S952 PolarHBondContact O-OG 3.2Å; K949-S952 VanDerWaalsContact O-OG 3.07Å; K949-Y953 PolarHBondContact O-N 3.14Å |
| 950 | A | 56.1 | Low | 53.8 | Low | 13.25 Ų | 13.25 | 64.2 Ų | 64.2 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | W641 F643 M646 Q946 L947 S952 Y953 I954 | W641-A950 HydrophobicContact CE3-CB 4.35Å; W641-A950 HydrophobicContact CZ3-CB 4.13Å; F643-A950 HydrophobicContact CD1-CB 4.15Å; F643-A950 HydrophobicContact CE1-CB 3.89Å; M646-A950 HydrophobicContact CE-CB 3.71Å; M646-A950 VanDerWaalsContact CE-CB 3.5Å; M646-A950 HydrophobicContact SD-CB 3.69Å; M646-A950 VanDerWaalsContact SD-CB 3.54Å; M646-A950 WeakPolarHBondContact SD-CB 3.35Å; Q946-A950 PolarHBondContact O-N 3.43Å; L947-A950 WeakPolarHBondContact O-CB 3.42Å; L947-A950 PolarHBondContact O-N 2.91Å; L947-A950 VanDerWaalsContact O-N 3.13Å; A950-S952 VanDerWaalsContact C-N 3.34Å; A950-S952 PolarHBondContact O-N 3.19Å; A950-S952 VanDerWaalsContact O-N 3.08Å; A950-Y953 PolarHBondContact O-N 3.23Å; A950-I954 HydrophobicContact CB-CD1 4.25Å; A950-I954 WeakPolarHBondContact O-CB 3.37Å; A950-I954 WeakPolarHBondContact O-CD1 3.24Å; A950-I954 VanDerWaalsContact O-CG1 3.3Å; A950-I954 WeakPolarHBondContact O-CG1 3.24Å; A950-I954 PolarHBondContact O-N 3.12Å; A950-I954 VanDerWaalsContact O-N 3.1Å |
| 951 | D | 58.2 | Low | 54.1 | Low | 49.5 Ų | 49.5 | 63.1 Ų | 63.1 | 27% | 0.265 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.2 | -39 | 172.7 | -69.9 | -21.9 | 0 | 0 | 0 | 112.1 | M646 L947 K949 Y953 I954 S955 | M646-D951 WeakPolarHBondContact CE-OD1 3.43Å; L947-D951 WeakPolarHBondContact O-CB 3.08Å; L947-D951 VanDerWaalsContact O-CG 3.25Å; L947-D951 PolarHBondContact O-N 2.96Å; L947-D951 VanDerWaalsContact O-OD2 3.07Å; K949-D951 VanDerWaalsContact C-N 3.32Å; K949-D951 PolarHBondContact O-N 3.06Å; D951-Y953 PolarHBondContact O-N 3.22Å; D951-I954 PolarHBondContact O-N 3.1Å; D951-S955 WeakPolarHBondContact O-CA 3.38Å; D951-S955 VanDerWaalsContact O-CB 3.26Å; D951-S955 WeakPolarHBondContact O-CB 3.38Å; D951-S955 PolarHBondContact O-N 3.04Å; D951-S955 PolarHBondContact O-OG 2.9Å |
| 952 | S | 61.4 | Low | 54.6 | Low | 31.25 Ų | 31.25 | 63.9 Ų | 63.9 | 22% | 0.219 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 178.5 | 77.9 | 0 | 0 | 0 | 0 | 113.1 | N948 K949 A950 I954 S956 | N948-S952 WeakPolarHBondContact O-CB 3.31Å; N948-S952 PolarHBondContact O-N 2.97Å; N948-S952 PolarHBondContact O-OG 3.46Å; K949-S952 VanDerWaalsContact C-N 3.35Å; K949-S952 VanDerWaalsContact CA-OG 3.25Å; K949-S952 WeakPolarHBondContact CA-OG 3.14Å; K949-S952 CarbonylContact O-C 3.5Å; K949-S952 WeakPolarHBondContact O-CA 3.49Å; K949-S952 WeakPolarHBondContact O-CB 3.32Å; K949-S952 PolarHBondContact O-N 3.35Å; K949-S952 VanDerWaalsContact O-N 3.12Å; K949-S952 PolarHBondContact O-OG 3.2Å; K949-S952 VanDerWaalsContact O-OG 3.07Å; A950-S952 VanDerWaalsContact C-N 3.34Å; A950-S952 PolarHBondContact O-N 3.19Å; A950-S952 VanDerWaalsContact O-N 3.08Å; S952-I954 VanDerWaalsContact C-N 3.29Å; S952-I954 PolarHBondContact O-N 3.42Å; S952-S956 WeakPolarHBondContact O-CA 3.18Å; S952-S956 WeakPolarHBondContact O-CB 3.3Å; S952-S956 PolarHBondContact O-N 3.14Å; S952-S956 PolarHBondContact O-OG 3.26Å |
| 953 | Y | 66.7 | Low | 55 | Low | 7.5 Ų | 7.5 | 59.7 Ų | 59.7 | 3% | 0.029 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.3 | -35.4 | 175.3 | 179.5 | -99.1 | 0 | 0 | 0 | 111.8 | R602 P639 W641 F643 I664 K949 A950 D951 W959 P961 | R602-Y953 HydrophobicContact CB-CE1 4.43Å; R602-Y953 HydrophobicContact CG-CE1 4.43Å; R602-Y953 HydrophobicContact CG-CE2 4.49Å; R602-Y953 VanDerWaalsContact NH1-C 3.25Å; R602-Y953 PolarHBondContact NH1-O 3.33Å; P639-Y953 HydrophobicContact CG-CD1 4.24Å; P639-Y953 HydrophobicContact CG-CD2 4.07Å; P639-Y953 HydrophobicContact CG-CE2 4.36Å; P639-Y953 HydrophobicContact CG-CG 4.12Å; W641-Y953 HydrophobicContact CE3-CD1 4.09Å; W641-Y953 HydrophobicContact CE3-CG 4.1Å; W641-Y953 VanDerWaalsContact CH2-CB 3.45Å; W641-Y953 HydrophobicContact CH2-CD2 4.46Å; W641-Y953 HydrophobicContact CH2-CG 4.07Å; W641-Y953 HydrophobicContact CZ3-CD1 4.04Å; W641-Y953 HydrophobicContact CZ3-CD2 4.4Å; W641-Y953 AromaticContact CZ3-CG 3.62Å; W641-Y953 HydrophobicContact CZ3-CG 3.62Å; F643-Y953 HydrophobicContact CE2-CD1 4.06Å; F643-Y953 HydrophobicContact CE2-CE1 4.06Å; F643-Y953 AromaticContact CZ-CD1 3.77Å; F643-Y953 HydrophobicContact CZ-CD1 3.77Å; F643-Y953 HydrophobicContact CZ-CE1 4.1Å; I664-Y953 HydrophobicContact CG2-CE1 4.29Å; K949-Y953 PolarHBondContact O-N 3.14Å; A950-Y953 PolarHBondContact O-N 3.23Å; D951-Y953 PolarHBondContact O-N 3.22Å; Y953-W959 AromaticContact CD2-CD1 3.98Å; Y953-W959 AromaticContact CD2-CD2 3.66Å; Y953-W959 HydrophobicContact CD2-CD2 3.66Å; Y953-W959 AromaticContact CD2-CE2 3.68Å; Y953-W959 AromaticContact CD2-CE3 3.96Å; Y953-W959 HydrophobicContact CD2-CE3 4.05Å; Y953-W959 AromaticContact CD2-CG 3.9Å; Y953-W959 HydrophobicContact CD2-CG 3.97Å; Y953-W959 HydrophobicContact CD2-CH2 4.25Å; Y953-W959 AromaticContact CD2-CZ2 3.95Å; Y953-W959 HydrophobicContact CD2-CZ2 4.11Å; Y953-W959 HydrophobicContact CD2-CZ3 4.35Å; Y953-W959 AromaticContact CD2-NE1 3.91Å; Y953-W959 HydrophobicContact CE2-CD2 4.2Å; Y953-W959 AromaticContact CE2-CE3 3.93Å; Y953-W959 HydrophobicContact CE2-CE3 4.12Å; Y953-W959 HydrophobicContact CE2-CH2 4.34Å; Y953-W959 HydrophobicContact CE2-CZ2 4.39Å; Y953-W959 HydrophobicContact CE2-CZ3 4.1Å; Y953-P961 HydrophobicContact CD2-CG 4.42Å |
| 954 | I | 67.6 | Low | 55.4 | Low | 5.75 Ų | 5.75 | 57.4 Ų | 57.4 | 3% | 0.029 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78.1 | -40.5 | -178.5 | -64.4 | 165.1 | 0 | 0 | 0 | 111.4 | F643 M646 F648 A661 I665 A950 D951 S952 | F643-I954 HydrophobicContact CB-CD1 4.35Å; F643-I954 HydrophobicContact CD1-CD1 3.68Å; F643-I954 HydrophobicContact CD1-CG1 4.31Å; F643-I954 HydrophobicContact CD2-CD1 4.4Å; F643-I954 HydrophobicContact CE1-CD1 3.87Å; F643-I954 VanDerWaalsContact CE1-CD1 3.41Å; F643-I954 HydrophobicContact CE1-CG1 3.85Å; F643-I954 HydrophobicContact CG-CD1 3.98Å; F643-I954 HydrophobicContact CG-CG1 4.48Å; F643-I954 HydrophobicContact CZ-CD1 4.5Å; F643-I954 HydrophobicContact CZ-CG1 4.35Å; M646-I954 HydrophobicContact CE-CD1 3.83Å; M646-I954 HydrophobicContact SD-CD1 3.68Å; M646-I954 WeakPolarHBondContact SD-CD1 3.19Å; F648-I954 HydrophobicContact CE2-CG2 4.35Å; A661-I954 HydrophobicContact CB-CG2 3.4Å; A661-I954 VanDerWaalsContact CB-CG2 3.45Å; I665-I954 HydrophobicContact CD1-CD1 4.31Å; I665-I954 HydrophobicContact CD1-CG2 4.39Å; I665-I954 HydrophobicContact CG1-CD1 4.22Å; I665-I954 HydrophobicContact CG1-CG2 4.42Å; A950-I954 HydrophobicContact CB-CD1 4.25Å; A950-I954 WeakPolarHBondContact O-CB 3.37Å; A950-I954 WeakPolarHBondContact O-CD1 3.24Å; A950-I954 VanDerWaalsContact O-CG1 3.3Å; A950-I954 WeakPolarHBondContact O-CG1 3.24Å; A950-I954 PolarHBondContact O-N 3.12Å; A950-I954 VanDerWaalsContact O-N 3.1Å; D951-I954 PolarHBondContact O-N 3.1Å; S952-I954 VanDerWaalsContact C-N 3.29Å; S952-I954 PolarHBondContact O-N 3.42Å |
| 955 | S | 63.8 | Low | 55.8 | Low | 47.5 Ų | 47.5 | 52.6 Ų | 52.6 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -96.9 | -25.8 | -172.2 | 69.9 | 0 | 0 | 0 | 0 | 114.7 | N657 D951 P957 | N657-S955 PolarHBondContact ND2-O 3.34Å; D951-S955 WeakPolarHBondContact O-CA 3.38Å; D951-S955 VanDerWaalsContact O-CB 3.26Å; D951-S955 WeakPolarHBondContact O-CB 3.38Å; D951-S955 PolarHBondContact O-N 3.04Å; D951-S955 PolarHBondContact O-OG 2.9Å; S955-P957 WeakPolarHBondContact O-CD 3.36Å |
| 956 | S | 64.9 | Low | 56 | Low | 25.75 Ų | 25.75 | 53.7 Ų | 53.7 | 18% | 0.18 | 28% | 0.276 | C | S | . | . | trans | -75.8 | 124.4 | -176.9 | 161.3 | 0 | 0 | 0 | 0 | 111.3 | R602 S952 W958 W959 C1280 | R602-S956 PolarHBondContact NH1-O 3.05Å; R602-S956 PolarHBondContact NH2-O 3.34Å; S952-S956 WeakPolarHBondContact O-CA 3.18Å; S952-S956 WeakPolarHBondContact O-CB 3.3Å; S952-S956 PolarHBondContact O-N 3.14Å; S952-S956 PolarHBondContact O-OG 3.26Å; S956-W958 PolarHBondContact O-N 3.15Å; S956-W958 VanDerWaalsContact OG-C 3.28Å; S956-W958 PolarHBondContact OG-N 3.34Å; S956-W958 PolarHBondContact OG-O 3.01Å; S956-W958 VanDerWaalsContact OG-O 3.09Å; S956-W959 PolarHBondContact O-N 2.94Å; S956-C1280 PolarHBondContact OG-SG 3.12Å; S956-C1280 VanDerWaalsContact OG-SG 3.39Å | ||
| 957 | P | 61.2 | Low | 56.5 | Low | 61.5 Ų | 61.5 | 52.6 Ų | 52.6 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -64 | -25.7 | 170.9 | 25.4 | -30.9 | 0 | 0 | 0 | 111.5 | T597 R602 S955 W959 | T597-P957 HydrophobicContact CG2-CB 4.26Å; R602-P957 PolarHBondContact NH2-O 2.96Å; S955-P957 WeakPolarHBondContact O-CD 3.36Å; P957-W959 PolarHBondContact O-N 2.91Å |
| 958 | W | 59.8 | Low | 57.1 | Low | 120.25 Ų | 120.25 | 47.8 Ų | 47.8 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -102.4 | 95.2 | -180 | -57.7 | 77.9 | 0 | 0 | 0 | 111.8 | V455 F457 L593 T597 S956 S960 F962 C1280 | V455-W958 HydrophobicContact CB-CE3 4.41Å; V455-W958 HydrophobicContact CB-CZ3 4.41Å; V455-W958 HydrophobicContact CG1-CE3 4.32Å; V455-W958 HydrophobicContact CG1-CZ3 3.84Å; V455-W958 HydrophobicContact CG2-CE3 4.31Å; V455-W958 HydrophobicContact CG2-CZ3 4.42Å; F457-W958 HydrophobicContact CD2-CZ3 4.12Å; F457-W958 HydrophobicContact CE2-CZ3 4.2Å; L593-W958 HydrophobicContact CB-CH2 3.74Å; L593-W958 HydrophobicContact CB-CZ2 3.75Å; L593-W958 HydrophobicContact CD2-CH2 3.69Å; L593-W958 HydrophobicContact CD2-CZ2 4.46Å; L593-W958 HydrophobicContact CD2-CZ3 4.36Å; L593-W958 HydrophobicContact CG-CH2 4.24Å; L593-W958 WeakPolarHBondContact O-CH2 3.45Å; L593-W958 VanDerWaalsContact O-CZ2 3.28Å; L593-W958 WeakPolarHBondContact O-CZ2 3.36Å; T597-W958 HydrophobicContact CG2-CD2 4.3Å; T597-W958 HydrophobicContact CG2-CE3 4.4Å; T597-W958 HydrophobicContact CG2-CH2 3.83Å; T597-W958 HydrophobicContact CG2-CZ2 3.77Å; T597-W958 HydrophobicContact CG2-CZ3 4.23Å; S956-W958 PolarHBondContact O-N 3.15Å; S956-W958 VanDerWaalsContact OG-C 3.28Å; S956-W958 PolarHBondContact OG-N 3.34Å; S956-W958 PolarHBondContact OG-O 3.01Å; S956-W958 VanDerWaalsContact OG-O 3.09Å; W958-S960 PolarHBondContact O-N 3.13Å; W958-F962 HydrophobicContact CB-CE2 4.45Å; W958-F962 HydrophobicContact CD2-CE2 4.03Å; W958-F962 HydrophobicContact CE3-CE2 4.17Å; W958-F962 HydrophobicContact CG-CD2 4.36Å; W958-F962 HydrophobicContact CG-CE2 4.15Å; W958-C1280 WeakPolarHBondContact CB-SG 3.35Å; W958-C1280 PolarHBondContact O-SG 3.23Å; W958-C1280 VanDerWaalsContact O-SG 3.33Å |
| 959 | W | 59.9 | Low | 57.4 | Low | 40 Ų | 40 | 46 Ų | 46 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | trans | -92.2 | 146.9 | 175.3 | -158.7 | 88.4 | 0 | 0 | 0 | 110.9 | I453 R602 S637 P639 N937 Y953 S956 P957 P961 | I453-W959 HydrophobicContact CG2-CZ3 4.35Å; R602-W959 VanDerWaalsContact NH2-CB 3.29Å; S637-W959 WeakPolarHBondContact O-CH2 3.41Å; S637-W959 WeakPolarHBondContact O-CZ3 3.37Å; P639-W959 HydrophobicContact CG-CH2 4.03Å; P639-W959 HydrophobicContact CG-CZ2 4.18Å; N937-W959 VanDerWaalsContact ND2-CD1 3.3Å; N937-W959 PolarHBondContact ND2-NE1 3.31Å; Y953-W959 AromaticContact CD2-CD1 3.98Å; Y953-W959 AromaticContact CD2-CD2 3.66Å; Y953-W959 HydrophobicContact CD2-CD2 3.66Å; Y953-W959 AromaticContact CD2-CE2 3.68Å; Y953-W959 AromaticContact CD2-CE3 3.96Å; Y953-W959 HydrophobicContact CD2-CE3 4.05Å; Y953-W959 AromaticContact CD2-CG 3.9Å; Y953-W959 HydrophobicContact CD2-CG 3.97Å; Y953-W959 HydrophobicContact CD2-CH2 4.25Å; Y953-W959 AromaticContact CD2-CZ2 3.95Å; Y953-W959 HydrophobicContact CD2-CZ2 4.11Å; Y953-W959 HydrophobicContact CD2-CZ3 4.35Å; Y953-W959 AromaticContact CD2-NE1 3.91Å; Y953-W959 HydrophobicContact CE2-CD2 4.2Å; Y953-W959 AromaticContact CE2-CE3 3.93Å; Y953-W959 HydrophobicContact CE2-CE3 4.12Å; Y953-W959 HydrophobicContact CE2-CH2 4.34Å; Y953-W959 HydrophobicContact CE2-CZ2 4.39Å; Y953-W959 HydrophobicContact CE2-CZ3 4.1Å; S956-W959 PolarHBondContact O-N 2.94Å; P957-W959 PolarHBondContact O-N 2.91Å; W959-P961 HydrophobicContact CH2-CB 3.62Å; W959-P961 HydrophobicContact CH2-CG 4.22Å; W959-P961 HydrophobicContact CZ2-CB 4.11Å; W959-P961 HydrophobicContact CZ3-CB 4.16Å; W959-P961 HydrophobicContact CZ3-CG 4.27Å | ||
| 960 | S | 57 | Low | 57.6 | Low | 37.25 Ų | 37.25 | 46.1 Ų | 46.1 | 26% | 0.26 | 25% | 0.247 | S | C | . | . | trans | -132 | 142.2 | 172.6 | 68.4 | 0 | 0 | 0 | 0 | 110 | N937 W958 F962 | N937-S960 VanDerWaalsContact CG-O 3.29Å; N937-S960 PolarHBondContact ND2-O 3.22Å; N937-S960 VanDerWaalsContact ND2-O 3.11Å; N937-S960 PolarHBondContact ND2-OG 3.24Å; N937-S960 PolarHBondContact OD1-O 3.1Å; N937-S960 PolarHBondContact OD1-OG 3.08Å; W958-S960 PolarHBondContact O-N 3.13Å; S960-F962 VanDerWaalsContact C-N 3.25Å; S960-F962 PolarHBondContact O-N 3.2Å; S960-F962 PolarHBondContact OG-N 3.42Å | ||
| 961 | P | 53.6 | Low | 57.7 | Low | 4.5 Ų | 4.5 | 46.3 Ų | 46.3 | 3% | 0.029 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -72.7 | 4.3 | 174.8 | 22.3 | -25.1 | 0 | 0 | 0 | 112.6 | L636 S637 L935 N937 Y953 W959 V963 | L636-P961 WeakPolarHBondContact O-CB 3.26Å; S637-P961 WeakPolarHBondContact O-CG 3.49Å; L935-P961 WeakPolarHBondContact CA-O 3.3Å; L935-P961 HydrophobicContact CD2-CB 3.62Å; L935-P961 VanDerWaalsContact CD2-CB 3.45Å; L935-P961 WeakPolarHBondContact O-CG 3.42Å; N937-P961 HydrophobicContact CB-CB 3.33Å; N937-P961 HydrophobicContact CB-CG 4.35Å; N937-P961 VanDerWaalsContact CG-C 3.48Å; N937-P961 VanDerWaalsContact CG-CA 3.49Å; N937-P961 WeakPolarHBondContact ND2-CA 3.31Å; N937-P961 WeakPolarHBondContact ND2-CB 3.5Å; N937-P961 WeakPolarHBondContact OD1-CA 3.46Å; N937-P961 WeakPolarHBondContact OD1-CB 3.46Å; N937-P961 PolarHBondContact OD1-O 3.33Å; Y953-P961 HydrophobicContact CD2-CG 4.42Å; W959-P961 HydrophobicContact CH2-CB 3.62Å; W959-P961 HydrophobicContact CH2-CG 4.22Å; W959-P961 HydrophobicContact CZ2-CB 4.11Å; W959-P961 HydrophobicContact CZ3-CB 4.16Å; W959-P961 HydrophobicContact CZ3-CG 4.27Å; P961-V963 VanDerWaalsContact C-N 3.34Å; P961-V963 PolarHBondContact O-N 3.06Å |
| 962 | F | 52.3 | Low | 57.7 | Low | 84.5 Ų | 84.5 | 45.2 Ų | 45.2 | 37% | 0.371 | 24% | 0.241 | S | C | . | . | trans | -81.5 | 100.1 | -171.3 | -61.2 | -66.8 | 0 | 0 | 0 | 112.3 | Y454 N937 W958 S960 N964 L1275 T1304 | Y454-F962 HydrophobicContact CD2-CE2 4.43Å; Y454-F962 HydrophobicContact CE2-CE2 4.22Å; N937-F962 WeakPolarHBondContact OD1-CA 3.23Å; N937-F962 PolarHBondContact OD1-N 2.86Å; N937-F962 PolarHBondContact OD1-O 3.12Å; W958-F962 HydrophobicContact CB-CE2 4.45Å; W958-F962 HydrophobicContact CD2-CE2 4.03Å; W958-F962 HydrophobicContact CE3-CE2 4.17Å; W958-F962 HydrophobicContact CG-CD2 4.36Å; W958-F962 HydrophobicContact CG-CE2 4.15Å; S960-F962 VanDerWaalsContact C-N 3.25Å; S960-F962 PolarHBondContact O-N 3.2Å; S960-F962 PolarHBondContact OG-N 3.42Å; F962-N964 PolarHBondContact O-N 3.03Å; F962-N964 VanDerWaalsContact O-N 3.13Å; F962-L1275 WeakPolarHBondContact CD2-O 3.47Å; F962-L1275 HydrophobicContact CE1-CB 3.92Å; F962-L1275 HydrophobicContact CE2-CB 4.31Å; F962-L1275 WeakPolarHBondContact CE2-O 3.44Å; F962-L1275 HydrophobicContact CZ-CB 3.54Å; F962-L1275 HydrophobicContact CZ-CG 4.48Å; F962-L1275 WeakPolarHBondContact CZ-O 3.42Å; F962-T1304 HydrophobicContact CD1-CG2 3.36Å; F962-T1304 HydrophobicContact CE1-CG2 3.15Å; F962-T1304 HydrophobicContact CG-CG2 4.28Å; F962-T1304 HydrophobicContact CZ-CG2 3.96Å | ||
| 963 | V | 51 | Low | 57.4 | Low | 16.75 Ų | 16.75 | 49.3 Ų | 49.3 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | trans | -53.7 | 112.6 | 163.9 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | D936 N937 V939 P961 L965 I968 I1305 | D936-V963 WeakPolarHBondContact O-CG2 3.22Å; N937-V963 WeakPolarHBondContact OD1-CA 3.35Å; N937-V963 WeakPolarHBondContact OD1-CG2 3.39Å; N937-V963 PolarHBondContact OD1-N 3.23Å; V939-V963 HydrophobicContact CG2-CG1 3.91Å; P961-V963 VanDerWaalsContact C-N 3.34Å; P961-V963 PolarHBondContact O-N 3.06Å; V963-L965 PolarHBondContact O-N 3.02Å; V963-I968 HydrophobicContact CB-CD1 4.45Å; V963-I968 HydrophobicContact CG1-CD1 3.81Å; V963-I968 VanDerWaalsContact CG1-CD1 3.47Å; V963-I968 HydrophobicContact CG1-CG1 3.67Å; V963-I968 HydrophobicContact CG2-CD1 4.47Å; V963-I1305 HydrophobicContact CB-CD1 3.48Å; V963-I1305 VanDerWaalsContact CB-CD1 3.46Å; V963-I1305 HydrophobicContact CB-CG1 3.86Å; V963-I1305 HydrophobicContact CG1-CD1 4.38Å; V963-I1305 HydrophobicContact CG2-CD1 3.38Å; V963-I1305 HydrophobicContact CG2-CG1 4.27Å | ||
| 964 | N | 50.2 | Low | 56.9 | Low | 77.5 Ų | 77.5 | 54.3 Ų | 54.3 | 41% | 0.414 | 28% | 0.28 | S | S | . | . | trans | -57.1 | 122.8 | 169.3 | -178.7 | -5.9 | 0 | 0 | 0 | 108.5 | F962 K966 S967 I968 Y1279 | F962-N964 PolarHBondContact O-N 3.03Å; F962-N964 VanDerWaalsContact O-N 3.13Å; N964-K966 VanDerWaalsContact C-N 3.26Å; N964-K966 CarbonylContact O-C 3.3Å; N964-K966 PolarHBondContact O-N 3.1Å; N964-K966 WeakPolarHBondContact OD1-CB 3.3Å; N964-K966 PolarHBondContact OD1-N 3.29Å; N964-S967 PolarHBondContact ND2-OG 3.3Å; N964-S967 WeakPolarHBondContact O-CA 3.31Å; N964-S967 VanDerWaalsContact O-CB 3.26Å; N964-S967 WeakPolarHBondContact O-CB 3.35Å; N964-S967 PolarHBondContact O-N 3.31Å; N964-S967 PolarHBondContact O-OG 3.28Å; N964-I968 PolarHBondContact O-N 3.18Å; N964-Y1279 HydrophobicContact CB-CE2 3.99Å; N964-Y1279 WeakPolarHBondContact ND2-CE2 3.49Å; N964-Y1279 PolarHBondContact ND2-OH 3.47Å | ||
| 965 | L | 50.9 | Low | 56.2 | Low | 63.25 Ų | 63.25 | 56.5 Ų | 56.5 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -49.6 | -37.1 | 175.5 | -173.8 | 77.5 | 0 | 0 | 0 | 111.7 | V963 S967 I968 V969 L1089 Y1308 | V963-L965 PolarHBondContact O-N 3.02Å; L965-S967 VanDerWaalsContact C-N 3.29Å; L965-S967 PolarHBondContact O-N 3.17Å; L965-I968 PolarHBondContact O-N 3.13Å; L965-I968 VanDerWaalsContact O-N 3.07Å; L965-V969 HydrophobicContact CD1-CG2 3.59Å; L965-V969 HydrophobicContact CD2-CG2 4.45Å; L965-V969 HydrophobicContact CG-CG2 4.34Å; L965-V969 WeakPolarHBondContact O-CB 3.37Å; L965-V969 WeakPolarHBondContact O-CG2 3.32Å; L965-V969 PolarHBondContact O-N 3.05Å; L965-L1089 HydrophobicContact CD2-CD1 4.12Å; L965-L1089 HydrophobicContact CG-CD1 4.43Å; L965-Y1308 HydrophobicContact CD1-CD1 3.65Å; L965-Y1308 HydrophobicContact CD1-CD2 4.12Å; L965-Y1308 HydrophobicContact CD1-CE1 3.32Å; L965-Y1308 HydrophobicContact CD1-CE2 3.67Å; L965-Y1308 HydrophobicContact CD1-CG 4.14Å; L965-Y1308 WeakPolarHBondContact CD1-OH 3.49Å; L965-Y1308 HydrophobicContact CD2-CD1 4.14Å; L965-Y1308 HydrophobicContact CD2-CD2 4.14Å; L965-Y1308 HydrophobicContact CD2-CE1 3.83Å; L965-Y1308 HydrophobicContact CD2-CE2 3.88Å; L965-Y1308 WeakPolarHBondContact CD2-OH 3.22Å; L965-Y1308 HydrophobicContact CG-CD1 4.24Å; L965-Y1308 HydrophobicContact CG-CE1 4.06Å; L965-Y1308 HydrophobicContact CG-CE2 4.43Å |
| 966 | K | 49 | Very low | 55.6 | Low | 108.75 Ų | 108.75 | 60.5 Ų | 60.5 | 47% | 0.473 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -33.3 | 174.5 | -170.1 | 176.4 | -179.6 | 176.4 | 0 | 112.4 | N964 N970 V1098 L1297 | N964-K966 VanDerWaalsContact C-N 3.26Å; N964-K966 CarbonylContact O-C 3.3Å; N964-K966 PolarHBondContact O-N 3.1Å; N964-K966 WeakPolarHBondContact OD1-CB 3.3Å; N964-K966 PolarHBondContact OD1-N 3.29Å; K966-N970 WeakPolarHBondContact O-CA 3.34Å; K966-N970 WeakPolarHBondContact O-CB 3.3Å; K966-N970 PolarHBondContact O-N 3.16Å; K966-N970 PolarHBondContact O-ND2 3.24Å; K966-N970 PolarHBondContact O-OD1 3.4Å; K966-V1098 HydrophobicContact CD-CG1 4.47Å; K966-L1297 VanDerWaalsContact NZ-CD1 3.33Å |
| 967 | S | 55.6 | Low | 54.9 | Low | 49.5 Ų | 49.5 | 67.1 Ų | 67.1 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 175.3 | -55 | 0 | 0 | 0 | 0 | 112.1 | N964 L965 N970 Y971 | N964-S967 PolarHBondContact ND2-OG 3.3Å; N964-S967 WeakPolarHBondContact O-CA 3.31Å; N964-S967 VanDerWaalsContact O-CB 3.26Å; N964-S967 WeakPolarHBondContact O-CB 3.35Å; N964-S967 PolarHBondContact O-N 3.31Å; N964-S967 PolarHBondContact O-OG 3.28Å; L965-S967 VanDerWaalsContact C-N 3.29Å; L965-S967 PolarHBondContact O-N 3.17Å; S967-N970 PolarHBondContact O-N 3.28Å; S967-Y971 VanDerWaalsContact O-CB 3.22Å; S967-Y971 WeakPolarHBondContact O-CB 3.2Å; S967-Y971 PolarHBondContact O-N 3.05Å |
| 968 | I | 57.2 | Low | 54.3 | Low | 10.75 Ų | 10.75 | 71.8 Ų | 71.8 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -48 | 175.9 | -65.6 | 176.2 | 0 | 0 | 0 | 110.3 | F932 V939 V963 N964 L965 Y971 C972 F983 I1305 | F932-I968 HydrophobicContact CD1-CB 4.41Å; F932-I968 HydrophobicContact CD1-CD1 4.07Å; F932-I968 HydrophobicContact CD1-CG1 3.91Å; F932-I968 HydrophobicContact CD1-CG2 4.24Å; F932-I968 HydrophobicContact CE1-CB 4.2Å; F932-I968 HydrophobicContact CE1-CD1 4.3Å; F932-I968 HydrophobicContact CE1-CG1 4.01Å; F932-I968 HydrophobicContact CE1-CG2 3.79Å; F932-I968 HydrophobicContact CG-CD1 4.28Å; F932-I968 HydrophobicContact CZ-CG2 4.05Å; V939-I968 HydrophobicContact CG2-CG1 3.99Å; V963-I968 HydrophobicContact CB-CD1 4.45Å; V963-I968 HydrophobicContact CG1-CD1 3.81Å; V963-I968 VanDerWaalsContact CG1-CD1 3.47Å; V963-I968 HydrophobicContact CG1-CG1 3.67Å; V963-I968 HydrophobicContact CG2-CD1 4.47Å; N964-I968 PolarHBondContact O-N 3.18Å; L965-I968 PolarHBondContact O-N 3.13Å; L965-I968 VanDerWaalsContact O-N 3.07Å; I968-Y971 PolarHBondContact O-N 3.15Å; I968-C972 WeakPolarHBondContact O-CB 3.43Å; I968-C972 PolarHBondContact O-N 3.15Å; I968-C972 PolarHBondContact O-SG 3.07Å; I968-C972 VanDerWaalsContact O-SG 3.37Å; I968-F983 HydrophobicContact CD1-CE2 4.4Å; I968-F983 HydrophobicContact CG2-CB 4.24Å; I968-F983 HydrophobicContact CG2-CD2 4Å; I968-F983 VanDerWaalsContact CG2-CD2 3.46Å; I968-F983 HydrophobicContact CG2-CE2 4.04Å; I968-F983 HydrophobicContact CG2-CG 3.89Å; I968-I1305 HydrophobicContact CD1-CG2 4.02Å |
| 969 | V | 57 | Low | 53.8 | Low | 51.25 Ų | 51.25 | 75 Ų | 75 | 31% | 0.311 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 179.2 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | L965 Y971 C972 Y973 L1086 L1089 | L965-V969 HydrophobicContact CD1-CG2 3.59Å; L965-V969 HydrophobicContact CD2-CG2 4.45Å; L965-V969 HydrophobicContact CG-CG2 4.34Å; L965-V969 WeakPolarHBondContact O-CB 3.37Å; L965-V969 WeakPolarHBondContact O-CG2 3.32Å; L965-V969 PolarHBondContact O-N 3.05Å; V969-Y971 VanDerWaalsContact C-N 3.33Å; V969-Y971 PolarHBondContact O-N 3.2Å; V969-C972 PolarHBondContact O-N 3.14Å; V969-C972 VanDerWaalsContact O-N 3.16Å; V969-Y973 HydrophobicContact CG1-CD2 3.69Å; V969-Y973 HydrophobicContact CG1-CE2 4.19Å; V969-Y973 VanDerWaalsContact O-CB 3.25Å; V969-Y973 WeakPolarHBondContact O-CB 3.34Å; V969-Y973 WeakPolarHBondContact O-CD2 3.42Å; V969-Y973 PolarHBondContact O-N 3.36Å; V969-L1086 HydrophobicContact CG2-CD2 4.23Å; V969-L1089 HydrophobicContact CG1-CB 4.35Å; V969-L1089 HydrophobicContact CG2-CD1 4.2Å |
| 970 | N | 55.4 | Low | 53.2 | Low | 61.25 Ų | 61.25 | 79.2 Ų | 79.2 | 33% | 0.328 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 176.2 | -75 | -4.2 | 0 | 0 | 0 | 111.8 | K966 S967 C972 Y973 N974 | K966-N970 WeakPolarHBondContact O-CA 3.34Å; K966-N970 WeakPolarHBondContact O-CB 3.3Å; K966-N970 PolarHBondContact O-N 3.16Å; K966-N970 PolarHBondContact O-ND2 3.24Å; K966-N970 PolarHBondContact O-OD1 3.4Å; S967-N970 PolarHBondContact O-N 3.28Å; N970-C972 VanDerWaalsContact C-N 3.32Å; N970-C972 PolarHBondContact O-N 2.76Å; N970-Y973 WeakPolarHBondContact O-CB 3.1Å; N970-Y973 PolarHBondContact O-N 3.15Å; N970-N974 VanDerWaalsContact CB-ND2 3.35Å; N970-N974 WeakPolarHBondContact CB-ND2 3.19Å; N970-N974 WeakPolarHBondContact O-CA 3.1Å; N970-N974 WeakPolarHBondContact O-CB 3.19Å; N970-N974 PolarHBondContact O-N 3.04Å; N970-N974 PolarHBondContact O-ND2 3.24Å; N970-N974 PolarHBondContact O-OD1 3.12Å; N970-N974 PolarHBondContact OD1-ND2 3.45Å |
| 971 | Y | 58.2 | Low | 53 | Low | 18 Ų | 18 | 79.1 Ų | 79.1 | 7% | 0.071 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 175.8 | 179.9 | -92.3 | 0 | 0 | 0 | 111.3 | R931 F932 V939 S940 V941 S967 I968 V969 Y973 N974 H975 H981 | R931-Y971 WeakPolarHBondContact CD-OH 3.48Å; R931-Y971 PolarHBondContact NH1-OH 3.39Å; F932-Y971 HydrophobicContact CE1-CD1 4.27Å; F932-Y971 HydrophobicContact CZ-CD1 4.27Å; F932-Y971 HydrophobicContact CZ-CE1 4.35Å; V939-Y971 HydrophobicContact CB-CD1 4.12Å; V939-Y971 HydrophobicContact CB-CD2 3.78Å; V939-Y971 HydrophobicContact CB-CE1 4.39Å; V939-Y971 HydrophobicContact CB-CE2 4.04Å; V939-Y971 HydrophobicContact CB-CG 3.91Å; V939-Y971 HydrophobicContact CG1-CD1 3.57Å; V939-Y971 HydrophobicContact CG1-CD2 3.44Å; V939-Y971 VanDerWaalsContact CG1-CD2 3.46Å; V939-Y971 HydrophobicContact CG1-CE1 3.86Å; V939-Y971 HydrophobicContact CG1-CE2 3.73Å; V939-Y971 HydrophobicContact CG1-CG 3.34Å; V939-Y971 VanDerWaalsContact CG1-CG 3.41Å; V939-Y971 HydrophobicContact CG2-CD2 4.39Å; V939-Y971 HydrophobicContact CG2-CG 4.15Å; V939-Y971 WeakPolarHBondContact O-CD2 3.34Å; V939-Y971 WeakPolarHBondContact O-CE2 2.95Å; S940-Y971 VanDerWaalsContact O-CE2 3.29Å; S940-Y971 WeakPolarHBondContact O-CE2 3.38Å; S940-Y971 PolarHBondContact O-OH 2.86Å; S940-Y971 PolarHBondContact OG-OH 3.16Å; V941-Y971 HydrophobicContact CG2-CD2 4.45Å; V941-Y971 HydrophobicContact CG2-CE2 3.95Å; S967-Y971 VanDerWaalsContact O-CB 3.22Å; S967-Y971 WeakPolarHBondContact O-CB 3.2Å; S967-Y971 PolarHBondContact O-N 3.05Å; I968-Y971 PolarHBondContact O-N 3.15Å; V969-Y971 VanDerWaalsContact C-N 3.33Å; V969-Y971 PolarHBondContact O-N 3.2Å; Y971-Y973 VanDerWaalsContact C-N 3.34Å; Y971-Y973 PolarHBondContact O-N 2.88Å; Y971-N974 PolarHBondContact O-N 3.31Å; Y971-N974 VanDerWaalsContact O-N 3.08Å; Y971-H975 AromaticContact CD1-CD2 3.88Å; Y971-H975 AromaticContact CD2-CD2 3.59Å; Y971-H975 VanDerWaalsContact CD2-CD2 3.46Å; Y971-H975 WeakPolarHBondContact CD2-CD2 3.25Å; Y971-H975 AromaticContact CD2-NE2 3.81Å; Y971-H975 HydrophobicContact CE1-CB 4.5Å; Y971-H975 AromaticContact CE1-CD2 3.76Å; Y971-H975 AromaticContact CE2-CD2 3.48Å; Y971-H975 VanDerWaalsContact CE2-CD2 3.44Å; Y971-H975 WeakPolarHBondContact CE2-CD2 3.36Å; Y971-H975 AromaticContact CE2-NE2 3.66Å; Y971-H975 WeakPolarHBondContact CE2-NE2 3.28Å; Y971-H975 AromaticContact CG-CD2 3.75Å; Y971-H975 AromaticContact CZ-CD2 3.74Å; Y971-H975 VanDerWaalsContact CZ-CD2 3.5Å; Y971-H975 AromaticContact CZ-NE2 3.99Å; Y971-H975 VanDerWaalsContact O-CB 3.32Å; Y971-H975 WeakPolarHBondContact O-CB 3.42Å; Y971-H975 PolarHBondContact O-CD2 2.97Å; Y971-H975 VanDerWaalsContact O-CD2 3.27Å; Y971-H975 PolarHBondContact O-N 3.05Å; Y971-H975 VanDerWaalsContact O-N 3.11Å; Y971-H981 HydrophobicContact CE1-CB 4.31Å; Y971-H981 PolarHBondContact OH-ND1 2.9Å |
| 972 | C | 58.3 | Low | 53.2 | Low | 26.25 Ų | 26.25 | 81.5 Ų | 81.5 | 18% | 0.177 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 177.2 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | I968 V969 N970 K976 F983 | I968-C972 WeakPolarHBondContact O-CB 3.43Å; I968-C972 PolarHBondContact O-N 3.15Å; I968-C972 PolarHBondContact O-SG 3.07Å; I968-C972 VanDerWaalsContact O-SG 3.37Å; V969-C972 PolarHBondContact O-N 3.14Å; V969-C972 VanDerWaalsContact O-N 3.16Å; N970-C972 VanDerWaalsContact C-N 3.32Å; N970-C972 PolarHBondContact O-N 2.76Å; C972-K976 WeakPolarHBondContact O-CG 3.33Å; C972-K976 PolarHBondContact O-N 3.13Å; C972-K976 VanDerWaalsContact O-N 3.12Å; C972-F983 WeakPolarHBondContact SG-CB 3.08Å; C972-F983 PolarHBondContact SG-N 3.08Å |
| 973 | Y | 55.9 | Low | 53.8 | Low | 117.75 Ų | 117.75 | 78.5 Ų | 78.5 | 46% | 0.462 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -75.8 | -47 | -179.9 | -156.7 | -75.3 | 0 | 0 | 0 | 112.3 | V969 N970 Y971 H975 K976 E1094 Y1096 I1099 D1103 | V969-Y973 HydrophobicContact CG1-CD2 3.69Å; V969-Y973 HydrophobicContact CG1-CE2 4.19Å; V969-Y973 VanDerWaalsContact O-CB 3.25Å; V969-Y973 WeakPolarHBondContact O-CB 3.34Å; V969-Y973 WeakPolarHBondContact O-CD2 3.42Å; V969-Y973 PolarHBondContact O-N 3.36Å; N970-Y973 WeakPolarHBondContact O-CB 3.1Å; N970-Y973 PolarHBondContact O-N 3.15Å; Y971-Y973 VanDerWaalsContact C-N 3.34Å; Y971-Y973 PolarHBondContact O-N 2.88Å; Y973-H975 VanDerWaalsContact C-N 3.34Å; Y973-H975 PolarHBondContact O-N 2.95Å; Y973-H975 VanDerWaalsContact O-N 3.15Å; Y973-K976 HydrophobicContact CD2-CD 4.36Å; Y973-K976 HydrophobicContact CG-CD 4.44Å; Y973-K976 WeakPolarHBondContact O-CB 3.39Å; Y973-K976 VanDerWaalsContact O-CD 3.32Å; Y973-K976 WeakPolarHBondContact O-CD 3.28Å; Y973-K976 VanDerWaalsContact O-CG 3.25Å; Y973-K976 WeakPolarHBondContact O-CG 3.39Å; Y973-K976 PolarHBondContact O-N 3.24Å; Y973-K976 VanDerWaalsContact O-N 3.16Å; Y973-E1094 WeakPolarHBondContact CE2-OE2 3.27Å; Y973-E1094 VanDerWaalsContact OH-CD 3.26Å; Y973-E1094 PolarHBondContact OH-OE1 2.7Å; Y973-E1094 PolarHBondContact OH-OE2 3.21Å; Y973-Y1096 AromaticContact CE2-CE1 3.71Å; Y973-Y1096 HydrophobicContact CE2-CE1 3.71Å; Y973-I1099 HydrophobicContact CD2-CD1 4.43Å; Y973-I1099 HydrophobicContact CE2-CD1 4.4Å; Y973-I1099 HydrophobicContact CE2-CG1 4.47Å; Y973-D1103 PolarHBondContact OH-OD2 3.47Å |
| 974 | N | 55.5 | Low | 54.6 | Low | 113.25 Ų | 113.25 | 80.1 Ų | 80.1 | 61% | 0.606 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68.4 | -20.1 | -175.1 | -69.8 | -12.7 | 0 | 0 | 0 | 113 | N970 Y971 K976 | N970-N974 VanDerWaalsContact CB-ND2 3.35Å; N970-N974 WeakPolarHBondContact CB-ND2 3.19Å; N970-N974 WeakPolarHBondContact O-CA 3.1Å; N970-N974 WeakPolarHBondContact O-CB 3.19Å; N970-N974 PolarHBondContact O-N 3.04Å; N970-N974 PolarHBondContact O-ND2 3.24Å; N970-N974 PolarHBondContact O-OD1 3.12Å; N970-N974 PolarHBondContact OD1-ND2 3.45Å; Y971-N974 PolarHBondContact O-N 3.31Å; Y971-N974 VanDerWaalsContact O-N 3.08Å; N974-K976 VanDerWaalsContact C-N 3.35Å; N974-K976 PolarHBondContact O-N 3.34Å; N974-K976 VanDerWaalsContact O-N 3.11Å |
| 975 | H | 53.3 | Low | 55.5 | Low | 50.25 Ų | 50.25 | 76.8 Ų | 76.8 | 23% | 0.233 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 26.9 | 179.7 | -65.8 | -59.8 | 0 | 0 | 0 | 114.3 | V941 Y971 Y973 N977 R978 H980 H981 | V941-H975 WeakPolarHBondContact CG2-NE2 3.06Å; Y971-H975 AromaticContact CD1-CD2 3.88Å; Y971-H975 AromaticContact CD2-CD2 3.59Å; Y971-H975 VanDerWaalsContact CD2-CD2 3.46Å; Y971-H975 WeakPolarHBondContact CD2-CD2 3.25Å; Y971-H975 AromaticContact CD2-NE2 3.81Å; Y971-H975 HydrophobicContact CE1-CB 4.5Å; Y971-H975 AromaticContact CE1-CD2 3.76Å; Y971-H975 AromaticContact CE2-CD2 3.48Å; Y971-H975 VanDerWaalsContact CE2-CD2 3.44Å; Y971-H975 WeakPolarHBondContact CE2-CD2 3.36Å; Y971-H975 AromaticContact CE2-NE2 3.66Å; Y971-H975 WeakPolarHBondContact CE2-NE2 3.28Å; Y971-H975 AromaticContact CG-CD2 3.75Å; Y971-H975 AromaticContact CZ-CD2 3.74Å; Y971-H975 VanDerWaalsContact CZ-CD2 3.5Å; Y971-H975 AromaticContact CZ-NE2 3.99Å; Y971-H975 VanDerWaalsContact O-CB 3.32Å; Y971-H975 WeakPolarHBondContact O-CB 3.42Å; Y971-H975 PolarHBondContact O-CD2 2.97Å; Y971-H975 VanDerWaalsContact O-CD2 3.27Å; Y971-H975 PolarHBondContact O-N 3.05Å; Y971-H975 VanDerWaalsContact O-N 3.11Å; Y973-H975 VanDerWaalsContact C-N 3.34Å; Y973-H975 PolarHBondContact O-N 2.95Å; Y973-H975 VanDerWaalsContact O-N 3.15Å; H975-N977 PolarHBondContact O-N 3.21Å; H975-N977 VanDerWaalsContact O-N 3.15Å; H975-R978 PolarHBondContact O-N 2.99Å; H975-H980 PolarHBondContact O-CE1 2.96Å; H975-H980 PolarHBondContact O-ND1 3.42Å; H975-H981 HydrophobicContact CB-CB 3.58Å; H975-H981 VanDerWaalsContact CB-CD2 3.47Å; H975-H981 WeakPolarHBondContact CB-CD2 3.48Å; H975-H981 AromaticContact CD2-CD2 3.71Å; H975-H981 AromaticContact CG-CD2 3.67Å; H975-H981 AromaticContact ND1-CD2 3.9Å |
| 976 | K | 52.1 | Low | 56.5 | Low | 131.75 Ų | 131.75 | 79.4 Ų | 79.4 | 57% | 0.573 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.4 | -34.5 | 176.2 | -81.4 | 173.6 | 176.3 | 179.6 | 0 | 114.6 | C972 Y973 N974 R978 Y1096 | C972-K976 WeakPolarHBondContact O-CG 3.33Å; C972-K976 PolarHBondContact O-N 3.13Å; C972-K976 VanDerWaalsContact O-N 3.12Å; Y973-K976 HydrophobicContact CD2-CD 4.36Å; Y973-K976 HydrophobicContact CG-CD 4.44Å; Y973-K976 WeakPolarHBondContact O-CB 3.39Å; Y973-K976 VanDerWaalsContact O-CD 3.32Å; Y973-K976 WeakPolarHBondContact O-CD 3.28Å; Y973-K976 VanDerWaalsContact O-CG 3.25Å; Y973-K976 WeakPolarHBondContact O-CG 3.39Å; Y973-K976 PolarHBondContact O-N 3.24Å; Y973-K976 VanDerWaalsContact O-N 3.16Å; N974-K976 VanDerWaalsContact C-N 3.35Å; N974-K976 PolarHBondContact O-N 3.34Å; N974-K976 VanDerWaalsContact O-N 3.11Å; K976-R978 VanDerWaalsContact C-N 3.27Å; K976-R978 PolarHBondContact O-N 3.13Å; K976-Y1096 VanDerWaalsContact NZ-CE1 3.34Å |
| 977 | N | 49.3 | Very low | 57.7 | Low | 164 Ų | 164 | 75.6 Ų | 75.6 | 88% | 0.877 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.2 | -173.3 | -66.3 | -6 | 0 | 0 | 0 | 114.8 | H975 | H975-N977 PolarHBondContact O-N 3.21Å; H975-N977 VanDerWaalsContact O-N 3.15Å |
| 978 | R | 48.6 | Very low | 58.7 | Low | 160.25 Ų | 160.25 | 75.8 Ų | 75.8 | 61% | 0.605 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -110.5 | 117.1 | 176.9 | -69.7 | -176.6 | 177 | 178.8 | -0.2 | 108.9 | H975 K976 H980 H981 | H975-R978 PolarHBondContact O-N 2.99Å; K976-R978 VanDerWaalsContact C-N 3.27Å; K976-R978 PolarHBondContact O-N 3.13Å; R978-H980 PolarHBondContact O-N 2.99Å; R978-H981 HydrophobicContact CB-CB 4.36Å; R978-H981 WeakPolarHBondContact CB-CD2 3.34Å; R978-H981 WeakPolarHBondContact CB-ND1 3.36Å; R978-H981 WeakPolarHBondContact CD-CD2 3.46Å; R978-H981 VanDerWaalsContact CD-CE1 3.48Å; R978-H981 WeakPolarHBondContact CD-CE1 3.47Å; R978-H981 VanDerWaalsContact CD-NE2 3.3Å; R978-H981 WeakPolarHBondContact CD-NE2 3.34Å; R978-H981 PolarHBondContact NH1-NE2 3.3Å; R978-H981 WeakPolarHBondContact O-CB 3.47Å; R978-H981 PolarHBondContact O-N 3.32Å; R978-H981 PolarHBondContact O-ND1 3.44Å |
| 979 | K | 49.6 | Very low | 59.6 | Low | 189.25 Ų | 189.25 | 83.2 Ų | 83.2 | 82% | 0.823 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -40.4 | -14.4 | -178.8 | -72.4 | -176.2 | 177.2 | 179.7 | 0 | 113.4 | H981 | K979-H981 PolarHBondContact O-CD2 3.23Å; K979-H981 VanDerWaalsContact O-CD2 3.23Å; K979-H981 PolarHBondContact O-CE1 3.28Å; K979-H981 VanDerWaalsContact O-CG 3.31Å; K979-H981 PolarHBondContact O-N 3.03Å; K979-H981 PolarHBondContact O-ND1 3.22Å; K979-H981 PolarHBondContact O-NE2 3.16Å |
| 980 | H | 48 | Very low | 60.6 | Low | 127.75 Ų | 127.75 | 87.2 Ų | 87.2 | 59% | 0.591 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -71.3 | 20.7 | 179.3 | -60.2 | -67.3 | 0 | 0 | 0 | 113.5 | R931 H975 R978 S982 | R931-H980 VanDerWaalsContact CZ-O 3.27Å; R931-H980 PolarHBondContact NE-O 3.03Å; R931-H980 VanDerWaalsContact NH1-C 3.33Å; R931-H980 PolarHBondContact NH1-O 3.25Å; R931-H980 PolarHBondContact NH2-O 2.88Å; R931-H980 VanDerWaalsContact NH2-O 3.1Å; H975-H980 PolarHBondContact O-CE1 2.96Å; H975-H980 PolarHBondContact O-ND1 3.42Å; R978-H980 PolarHBondContact O-N 2.99Å; H980-S982 PolarHBondContact O-N 2.84Å |
| 981 | H | 52.2 | Low | 61.9 | Low | 35.5 Ų | 35.5 | 84.3 Ų | 84.3 | 16% | 0.164 | 40% | 0.395 | C | S | . | . | trans | -108.2 | 41.1 | -173.3 | -60.3 | -5.6 | 0 | 0 | 0 | 112.3 | R931 Y971 H975 R978 K979 | R931-H981 PolarHBondContact NH1-CD2 3.11Å; R931-H981 PolarHBondContact NH1-CE1 3.27Å; R931-H981 PolarHBondContact NH1-ND1 3.25Å; R931-H981 PolarHBondContact NH1-NE2 3.19Å; R931-H981 PolarHBondContact NH2-CE1 2.99Å; R931-H981 PolarHBondContact NH2-ND1 3.3Å; Y971-H981 HydrophobicContact CE1-CB 4.31Å; Y971-H981 PolarHBondContact OH-ND1 2.9Å; H975-H981 HydrophobicContact CB-CB 3.58Å; H975-H981 VanDerWaalsContact CB-CD2 3.47Å; H975-H981 WeakPolarHBondContact CB-CD2 3.48Å; H975-H981 AromaticContact CD2-CD2 3.71Å; H975-H981 AromaticContact CG-CD2 3.67Å; H975-H981 AromaticContact ND1-CD2 3.9Å; R978-H981 HydrophobicContact CB-CB 4.36Å; R978-H981 WeakPolarHBondContact CB-CD2 3.34Å; R978-H981 WeakPolarHBondContact CB-ND1 3.36Å; R978-H981 WeakPolarHBondContact CD-CD2 3.46Å; R978-H981 VanDerWaalsContact CD-CE1 3.48Å; R978-H981 WeakPolarHBondContact CD-CE1 3.47Å; R978-H981 VanDerWaalsContact CD-NE2 3.3Å; R978-H981 WeakPolarHBondContact CD-NE2 3.34Å; R978-H981 PolarHBondContact NH1-NE2 3.3Å; R978-H981 WeakPolarHBondContact O-CB 3.47Å; R978-H981 PolarHBondContact O-N 3.32Å; R978-H981 PolarHBondContact O-ND1 3.44Å; K979-H981 PolarHBondContact O-CD2 3.23Å; K979-H981 VanDerWaalsContact O-CD2 3.23Å; K979-H981 PolarHBondContact O-CE1 3.28Å; K979-H981 VanDerWaalsContact O-CG 3.31Å; K979-H981 PolarHBondContact O-N 3.03Å; K979-H981 PolarHBondContact O-ND1 3.22Å; K979-H981 PolarHBondContact O-NE2 3.16Å | ||
| 982 | S | 57.6 | Low | 62.9 | Low | 54.5 Ų | 54.5 | 84.4 Ų | 84.4 | 38% | 0.381 | 40% | 0.398 | S | S | . | . | trans | -83.6 | 132.5 | 177 | 53.8 | 0 | 0 | 0 | 0 | 112 | H980 W984 | H980-S982 PolarHBondContact O-N 2.84Å; S982-W984 VanDerWaalsContact CB-O 3.31Å; S982-W984 WeakPolarHBondContact CB-O 3.39Å; S982-W984 PolarHBondContact O-N 2.98Å; S982-W984 VanDerWaalsContact O-N 3.15Å; S982-W984 PolarHBondContact OG-O 3.29Å | ||
| 983 | F | 64.2 | Low | 63.9 | Low | 21.5 Ų | 21.5 | 86.1 Ų | 86.1 | 9% | 0.094 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -58.2 | -23.3 | 169.7 | 179.7 | -98.7 | 0 | 0 | 0 | 113.5 | I927 D928 L929 F932 I968 C972 I1309 I1312 | I927-F983 WeakPolarHBondContact CA-O 3.13Å; I927-F983 HydrophobicContact CB-CE1 4.43Å; I927-F983 HydrophobicContact CB-CZ 4.44Å; I927-F983 HydrophobicContact CD1-CE1 3.95Å; I927-F983 HydrophobicContact CD1-CZ 4.14Å; I927-F983 HydrophobicContact CG1-CD1 4.34Å; I927-F983 HydrophobicContact CG1-CE1 3.9Å; I927-F983 HydrophobicContact CG1-CZ 4.35Å; I927-F983 HydrophobicContact CG2-CD1 4.36Å; I927-F983 HydrophobicContact CG2-CD2 4.07Å; I927-F983 HydrophobicContact CG2-CE1 3.86Å; I927-F983 HydrophobicContact CG2-CE2 3.98Å; I927-F983 HydrophobicContact CG2-CG 4.37Å; I927-F983 HydrophobicContact CG2-CZ 3.62Å; I927-F983 VanDerWaalsContact CG2-CZ 3.48Å; D928-F983 PolarHBondContact N-O 2.99Å; D928-F983 VanDerWaalsContact N-O 3.11Å; L929-F983 HydrophobicContact CD2-CE2 4.24Å; F932-F983 AromaticContact CD2-CD2 3.95Å; F932-F983 HydrophobicContact CD2-CD2 4.25Å; F932-F983 HydrophobicContact CD2-CE2 4.37Å; F932-F983 HydrophobicContact CE1-CD2 4.38Å; F932-F983 HydrophobicContact CE2-CB 3.96Å; F932-F983 AromaticContact CE2-CD2 3.8Å; F932-F983 HydrophobicContact CE2-CD2 3.8Å; F932-F983 HydrophobicContact CE2-CE2 4.27Å; F932-F983 HydrophobicContact CE2-CG 4.43Å; F932-F983 HydrophobicContact CG-CD2 4.32Å; F932-F983 HydrophobicContact CZ-CB 4.01Å; F932-F983 AromaticContact CZ-CD2 3.61Å; F932-F983 HydrophobicContact CZ-CD2 4.08Å; F932-F983 HydrophobicContact CZ-CE2 4.2Å; I968-F983 HydrophobicContact CD1-CE2 4.4Å; I968-F983 HydrophobicContact CG2-CB 4.24Å; I968-F983 HydrophobicContact CG2-CD2 4Å; I968-F983 VanDerWaalsContact CG2-CD2 3.46Å; I968-F983 HydrophobicContact CG2-CE2 4.04Å; I968-F983 HydrophobicContact CG2-CG 3.89Å; C972-F983 WeakPolarHBondContact SG-CB 3.08Å; C972-F983 PolarHBondContact SG-N 3.08Å; F983-I1309 HydrophobicContact CE2-CD1 4.35Å; F983-I1309 HydrophobicContact CE2-CG1 4.26Å; F983-I1309 HydrophobicContact CZ-CG1 4.03Å; F983-I1309 HydrophobicContact CZ-CG2 4.31Å; F983-I1312 HydrophobicContact CE1-CD1 4.21Å; F983-I1312 HydrophobicContact CE1-CG2 4.02Å; F983-I1312 HydrophobicContact CZ-CD1 4.17Å |
| 984 | W | 67.8 | Low | 65.2 | Low | 49.5 Ų | 49.5 | 81 Ų | 81 | 19% | 0.188 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132 | 176.9 | -61.8 | 98.8 | 0 | 0 | 0 | 110.5 | S926 I927 S982 L1086 I1312 F1316 | S926-W984 CarbonylContact O-C 3.54Å; S926-W984 WeakPolarHBondContact O-CA 3.3Å; I927-W984 HydrophobicContact CD1-CH2 4.15Å; I927-W984 HydrophobicContact CD1-CZ3 4.19Å; I927-W984 HydrophobicContact CG1-CE3 3.87Å; I927-W984 HydrophobicContact CG1-CH2 3.9Å; I927-W984 HydrophobicContact CG1-CZ3 3.49Å; I927-W984 VanDerWaalsContact CG1-CZ3 3.47Å; S982-W984 VanDerWaalsContact CB-O 3.31Å; S982-W984 WeakPolarHBondContact CB-O 3.39Å; S982-W984 PolarHBondContact O-N 2.98Å; S982-W984 VanDerWaalsContact O-N 3.15Å; S982-W984 PolarHBondContact OG-O 3.29Å; W984-L1086 HydrophobicContact CZ2-CD1 3.93Å; W984-I1312 HydrophobicContact CH2-CG2 4.11Å; W984-I1312 HydrophobicContact CZ2-CG2 3.7Å; W984-I1312 VanDerWaalsContact CZ2-CG2 3.4Å; W984-F1316 HydrophobicContact CH2-CB 3.57Å; W984-F1316 VanDerWaalsContact CH2-CB 3.49Å; W984-F1316 AromaticContact CH2-CD1 3.65Å; W984-F1316 HydrophobicContact CH2-CD1 3.65Å; W984-F1316 AromaticContact CH2-CD2 3.8Å; W984-F1316 HydrophobicContact CH2-CD2 4.02Å; W984-F1316 HydrophobicContact CH2-CE1 4.34Å; W984-F1316 HydrophobicContact CH2-CE2 4.4Å; W984-F1316 AromaticContact CH2-CG 3.46Å; W984-F1316 HydrophobicContact CH2-CG 3.46Å; W984-F1316 VanDerWaalsContact CH2-CG 3.45Å; W984-F1316 HydrophobicContact CZ2-CB 3.91Å; W984-F1316 HydrophobicContact CZ2-CD1 4.35Å; W984-F1316 AromaticContact CZ2-CD2 3.61Å; W984-F1316 HydrophobicContact CZ2-CD2 3.98Å; W984-F1316 HydrophobicContact CZ2-CE2 4.28Å; W984-F1316 AromaticContact CZ2-CG 3.73Å; W984-F1316 HydrophobicContact CZ2-CG 3.85Å; W984-F1316 HydrophobicContact CZ3-CB 4.43Å; W984-F1316 AromaticContact CZ3-CD1 3.78Å; W984-F1316 HydrophobicContact CZ3-CD1 3.78Å; W984-F1316 HydrophobicContact CZ3-CD2 4.45Å; W984-F1316 HydrophobicContact CZ3-CE1 4.09Å; W984-F1316 AromaticContact CZ3-CG 3.99Å; W984-F1316 HydrophobicContact CZ3-CG 4.05Å; W984-F1316 HydrophobicContact CZ3-CZ 4.46Å |
| 985 | F | 69.7 | Low | 66.6 | Low | 8 Ų | 8 | 75.6 Ų | 75.6 | 4% | 0.035 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.8 | 158 | 173.2 | -105.7 | 0 | 0 | 0 | 109.5 | P848 E849 R921 Y925 S926 P987 T988 T991 | P848-F985 HydrophobicContact CB-CD1 4.14Å; P848-F985 HydrophobicContact CB-CD2 4.42Å; P848-F985 HydrophobicContact CB-CE1 3.67Å; P848-F985 HydrophobicContact CB-CE2 4.12Å; P848-F985 HydrophobicContact CB-CG 4.45Å; P848-F985 HydrophobicContact CB-CZ 3.67Å; P848-F985 VanDerWaalsContact CB-CZ 3.48Å; P848-F985 HydrophobicContact CG-CB 4.2Å; P848-F985 HydrophobicContact CG-CD1 3.52Å; P848-F985 VanDerWaalsContact CG-CD1 3.45Å; P848-F985 HydrophobicContact CG-CD2 3.72Å; P848-F985 VanDerWaalsContact CG-CD2 3.48Å; P848-F985 HydrophobicContact CG-CE1 3.57Å; P848-F985 VanDerWaalsContact CG-CE1 3.49Å; P848-F985 HydrophobicContact CG-CE2 3.78Å; P848-F985 VanDerWaalsContact CG-CE2 3.44Å; P848-F985 HydrophobicContact CG-CG 3.59Å; P848-F985 VanDerWaalsContact CG-CG 3.5Å; P848-F985 HydrophobicContact CG-CZ 3.71Å; P848-F985 VanDerWaalsContact CG-CZ 3.42Å; E849-F985 HydrophobicContact CG-CD2 4.16Å; E849-F985 HydrophobicContact CG-CE2 3.74Å; R921-F985 WeakPolarHBondContact O-CE1 3.47Å; Y925-F985 WeakPolarHBondContact CA-O 3.45Å; S926-F985 PolarHBondContact N-O 3.04Å; S926-F985 PolarHBondContact O-N 2.83Å; F985-P987 HydrophobicContact CE1-CG 4.44Å; F985-T988 HydrophobicContact CE2-CG2 4.36Å; F985-T988 HydrophobicContact CZ-CG2 4.45Å; F985-T991 HydrophobicContact CZ-CG2 4.29Å |
| 986 | K | 71.8 | Confident | 68 | Low | 117.75 Ų | 117.75 | 77.4 Ų | 77.4 | 51% | 0.512 | 37% | 0.367 | S | S | . | . | trans | -113.2 | 126.2 | 173.5 | -60.5 | -170.4 | 178.8 | -176.6 | 0 | 108.7 | Y925 T988 | Y925-K986 HydrophobicContact CD1-CG 4.23Å; Y925-K986 HydrophobicContact CE1-CB 4.25Å; Y925-K986 HydrophobicContact CE1-CD 4.29Å; Y925-K986 HydrophobicContact CE1-CG 3.92Å; K986-T988 PolarHBondContact O-N 3.11Å | ||
| 987 | P | 74.6 | Confident | 69.4 | Low | 30.25 Ų | 30.25 | 74.4 Ų | 74.4 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | -50.9 | 132.5 | 174.7 | -27.1 | 33.5 | 0 | 0 | 0 | 112.1 | T923 S924 F985 T991 T992 I1114 | T923-P987 VanDerWaalsContact O-CG 3.28Å; T923-P987 WeakPolarHBondContact O-CG 3.41Å; S924-P987 WeakPolarHBondContact O-CG 3.47Å; F985-P987 HydrophobicContact CE1-CG 4.44Å; P987-T991 WeakPolarHBondContact CA-OG1 3.43Å; P987-T992 HydrophobicContact CB-CG2 3.86Å; P987-I1114 HydrophobicContact CB-CD1 4.09Å | ||
| 988 | T | 76.7 | Confident | 71.2 | Confident | 53.75 Ų | 53.75 | 66.8 Ų | 66.8 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | trans | -94.5 | 166.2 | -179.8 | 69.8 | 0 | 0 | 0 | 0 | 110.8 | F985 K986 M990 T991 T992 | F985-T988 HydrophobicContact CE2-CG2 4.36Å; F985-T988 HydrophobicContact CZ-CG2 4.45Å; K986-T988 PolarHBondContact O-N 3.11Å; T988-M990 PolarHBondContact O-N 3.01Å; T988-M990 PolarHBondContact OG1-N 3.33Å; T988-T991 PolarHBondContact N-OG1 3.09Å; T988-T991 PolarHBondContact O-N 3.11Å; T988-T991 VanDerWaalsContact O-N 3.12Å; T988-T991 PolarHBondContact O-OG1 3.23Å; T988-T991 VanDerWaalsContact O-OG1 3.11Å; T988-T991 WeakPolarHBondContact OG1-CG2 3.28Å; T988-T991 PolarHBondContact OG1-N 3.22Å; T988-T991 VanDerWaalsContact OG1-N 3.17Å; T988-T991 PolarHBondContact OG1-OG1 2.74Å; T988-T992 WeakPolarHBondContact O-CB 3.25Å; T988-T992 WeakPolarHBondContact O-CG2 3.24Å; T988-T992 PolarHBondContact O-N 2.94Å; T988-T992 PolarHBondContact O-OG1 3.05Å; T988-T992 VanDerWaalsContact O-OG1 3.12Å | ||
| 989 | K | 75.7 | Confident | 72.9 | Confident | 165.75 Ų | 165.75 | 59.2 Ų | 59.2 | 72% | 0.721 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -57.7 | -29.6 | 173.7 | -69.8 | -172.1 | 179.7 | -177.6 | 0 | 112.5 | T992 S993 S1108 D1111 | K989-T992 WeakPolarHBondContact CA-OG1 3.39Å; K989-T992 PolarHBondContact O-OG1 3.12Å; K989-T992 VanDerWaalsContact O-OG1 3.05Å; K989-S993 VanDerWaalsContact O-CB 3.3Å; K989-S993 WeakPolarHBondContact O-CB 3.38Å; K989-S993 PolarHBondContact O-N 3.22Å; K989-S1108 PolarHBondContact NZ-OG 3.26Å; K989-D1111 HydrophobicContact CD-CB 4.42Å; K989-D1111 IonicContact NZ-OD2 2.77Å; K989-D1111 PolarHBondContact NZ-OD2 2.92Å |
| 990 | M | 78.7 | Confident | 74.5 | Confident | 134.5 Ų | 134.5 | 56.3 Ų | 56.3 | 66% | 0.663 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -76.4 | -48 | 177.7 | -66 | -118.5 | -172.4 | 0 | 0 | 112 | V852 T988 T992 S993 L994 | V852-M990 HydrophobicContact CB-CB 4.49Å; V852-M990 HydrophobicContact CG1-CB 3.96Å; T988-M990 PolarHBondContact O-N 3.01Å; T988-M990 PolarHBondContact OG1-N 3.33Å; M990-T992 VanDerWaalsContact C-N 3.32Å; M990-T992 PolarHBondContact O-N 3.21Å; M990-S993 WeakPolarHBondContact O-CA 3.05Å; M990-S993 WeakPolarHBondContact O-CB 3.38Å; M990-S993 PolarHBondContact O-N 2.71Å; M990-S993 VanDerWaalsContact O-N 3.14Å; M990-L994 PolarHBondContact O-N 3.14Å |
| 991 | T | 81.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 178 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | P848 V852 L922 F985 P987 T988 S993 L994 A995 | P848-T991 VanDerWaalsContact O-CG2 3.32Å; P848-T991 WeakPolarHBondContact O-CG2 3.27Å; V852-T991 HydrophobicContact CG2-CG2 3.64Å; L922-T991 HydrophobicContact CD2-CG2 3.97Å; L922-T991 WeakPolarHBondContact O-CB 3.31Å; L922-T991 PolarHBondContact O-OG1 3.2Å; L922-T991 VanDerWaalsContact O-OG1 3.06Å; F985-T991 HydrophobicContact CZ-CG2 4.29Å; P987-T991 WeakPolarHBondContact CA-OG1 3.43Å; T988-T991 PolarHBondContact N-OG1 3.09Å; T988-T991 PolarHBondContact O-N 3.11Å; T988-T991 VanDerWaalsContact O-N 3.12Å; T988-T991 PolarHBondContact O-OG1 3.23Å; T988-T991 VanDerWaalsContact O-OG1 3.11Å; T988-T991 WeakPolarHBondContact OG1-CG2 3.28Å; T988-T991 PolarHBondContact OG1-N 3.22Å; T988-T991 VanDerWaalsContact OG1-N 3.17Å; T988-T991 PolarHBondContact OG1-OG1 2.74Å; T991-S993 VanDerWaalsContact C-N 3.32Å; T991-S993 PolarHBondContact O-N 2.91Å; T991-L994 PolarHBondContact O-N 3.17Å; T991-A995 WeakPolarHBondContact O-CB 3.41Å; T991-A995 PolarHBondContact O-N 3Å |
| 992 | T | 78.8 | Confident | 77.8 | Confident | 20.5 Ų | 20.5 | 49.1 Ų | 49.1 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -31.9 | 176 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | P987 T988 K989 M990 A995 R996 I1114 F1117 | P987-T992 HydrophobicContact CB-CG2 3.86Å; T988-T992 WeakPolarHBondContact O-CB 3.25Å; T988-T992 WeakPolarHBondContact O-CG2 3.24Å; T988-T992 PolarHBondContact O-N 2.94Å; T988-T992 PolarHBondContact O-OG1 3.05Å; T988-T992 VanDerWaalsContact O-OG1 3.12Å; K989-T992 WeakPolarHBondContact CA-OG1 3.39Å; K989-T992 PolarHBondContact O-OG1 3.12Å; K989-T992 VanDerWaalsContact O-OG1 3.05Å; M990-T992 VanDerWaalsContact C-N 3.32Å; M990-T992 PolarHBondContact O-N 3.21Å; T992-A995 PolarHBondContact O-N 3.09Å; T992-R996 WeakPolarHBondContact O-CB 3.49Å; T992-R996 WeakPolarHBondContact O-CG 3.3Å; T992-R996 PolarHBondContact O-N 3.31Å; T992-R996 PolarHBondContact OG1-NH2 3.48Å; T992-I1114 HydrophobicContact CG2-CD1 3.49Å; T992-I1114 VanDerWaalsContact CG2-CD1 3.49Å; T992-I1114 HydrophobicContact CG2-CG1 3.64Å; T992-F1117 HydrophobicContact CG2-CD2 4.48Å |
| 993 | S | 80.1 | Confident | 79.2 | Confident | 61.75 Ų | 61.75 | 46.6 Ų | 46.6 | 43% | 0.432 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.2 | -46.3 | 172.5 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | K989 M990 T991 A995 R996 Q997 | K989-S993 VanDerWaalsContact O-CB 3.3Å; K989-S993 WeakPolarHBondContact O-CB 3.38Å; K989-S993 PolarHBondContact O-N 3.22Å; M990-S993 WeakPolarHBondContact O-CA 3.05Å; M990-S993 WeakPolarHBondContact O-CB 3.38Å; M990-S993 PolarHBondContact O-N 2.71Å; M990-S993 VanDerWaalsContact O-N 3.14Å; T991-S993 VanDerWaalsContact C-N 3.32Å; T991-S993 PolarHBondContact O-N 2.91Å; S993-A995 VanDerWaalsContact C-N 3.34Å; S993-A995 PolarHBondContact O-N 2.89Å; S993-R996 WeakPolarHBondContact O-CB 3.45Å; S993-R996 PolarHBondContact O-N 2.94Å; S993-Q997 WeakPolarHBondContact O-CG 3.37Å; S993-Q997 PolarHBondContact O-N 3.09Å; S993-Q997 VanDerWaalsContact O-N 3.1Å |
| 994 | L | 82.9 | Confident | 80.2 | Confident | 10.25 Ų | 10.25 | 47.1 Ų | 47.1 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 175.6 | -179.9 | 61.9 | 0 | 0 | 0 | 111.3 | V852 Y857 I865 W884 F887 L922 M990 T991 R996 Q997 L998 | V852-L994 HydrophobicContact CG2-CD2 4.38Å; Y857-L994 HydrophobicContact CD2-CD2 4.37Å; Y857-L994 HydrophobicContact CE2-CD1 3.7Å; Y857-L994 HydrophobicContact CE2-CD2 3.93Å; Y857-L994 HydrophobicContact CE2-CG 4.48Å; I865-L994 HydrophobicContact CD1-CD1 4.2Å; W884-L994 HydrophobicContact CZ3-CD1 4.32Å; F887-L994 HydrophobicContact CE1-CD1 3.99Å; F887-L994 HydrophobicContact CZ-CD1 4.26Å; L922-L994 HydrophobicContact CD1-CB 4.42Å; L922-L994 HydrophobicContact CD1-CD2 3.78Å; L922-L994 HydrophobicContact CD1-CG 3.95Å; L922-L994 HydrophobicContact CD2-CD2 4.11Å; M990-L994 PolarHBondContact O-N 3.14Å; T991-L994 PolarHBondContact O-N 3.17Å; L994-R996 VanDerWaalsContact C-N 3.32Å; L994-R996 PolarHBondContact O-N 2.95Å; L994-Q997 WeakPolarHBondContact O-CB 3.4Å; L994-Q997 PolarHBondContact O-N 3.18Å; L994-Q997 VanDerWaalsContact O-N 3.12Å; L994-L998 HydrophobicContact CG-CD1 4.39Å; L994-L998 WeakPolarHBondContact O-CG 3.2Å; L994-L998 PolarHBondContact O-N 3.12Å |
| 995 | A | 84.5 | Confident | 81 | Confident | 0.25 Ų | 0.25 | 46 Ų | 46 | 0% | 0.002 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.5 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L919 L922 T923 T991 T992 S993 Q997 L998 V999 F1117 | L919-A995 HydrophobicContact CD1-CB 3.73Å; L919-A995 HydrophobicContact CD2-CB 4.28Å; L922-A995 HydrophobicContact CB-CB 4.12Å; L922-A995 HydrophobicContact CD1-CB 4.47Å; T923-A995 HydrophobicContact CG2-CB 3.4Å; T923-A995 VanDerWaalsContact CG2-CB 3.44Å; T991-A995 WeakPolarHBondContact O-CB 3.41Å; T991-A995 PolarHBondContact O-N 3Å; T992-A995 PolarHBondContact O-N 3.09Å; S993-A995 VanDerWaalsContact C-N 3.34Å; S993-A995 PolarHBondContact O-N 2.89Å; A995-Q997 VanDerWaalsContact C-N 3.32Å; A995-Q997 PolarHBondContact O-N 3.14Å; A995-L998 PolarHBondContact O-N 3.15Å; A995-V999 VanDerWaalsContact O-CG2 3.3Å; A995-V999 WeakPolarHBondContact O-CG2 3.39Å; A995-V999 PolarHBondContact O-N 3.07Å; A995-F1117 HydrophobicContact CB-CE2 3.81Å; A995-F1117 HydrophobicContact CB-CZ 4.12Å |
| 996 | R | 82.5 | Confident | 81.9 | Confident | 89 Ų | 89 | 45.7 Ų | 45.7 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -38.2 | 175 | -91.8 | -178.6 | -133.9 | 119.7 | 3 | 112.2 | T992 S993 L994 L998 V999 R1000 D1113 F1117 M1119 | T992-R996 WeakPolarHBondContact O-CB 3.49Å; T992-R996 WeakPolarHBondContact O-CG 3.3Å; T992-R996 PolarHBondContact O-N 3.31Å; T992-R996 PolarHBondContact OG1-NH2 3.48Å; S993-R996 WeakPolarHBondContact O-CB 3.45Å; S993-R996 PolarHBondContact O-N 2.94Å; L994-R996 VanDerWaalsContact C-N 3.32Å; L994-R996 PolarHBondContact O-N 2.95Å; R996-L998 VanDerWaalsContact C-N 3.35Å; R996-V999 PolarHBondContact O-N 3.41Å; R996-R1000 WeakPolarHBondContact O-CG 3.3Å; R996-R1000 PolarHBondContact O-N 3.23Å; R996-D1113 PolarHBondContact NH2-O 3.37Å; R996-F1117 HydrophobicContact CB-CE1 4.22Å; R996-F1117 HydrophobicContact CB-CZ 4.36Å; R996-F1117 HydrophobicContact CG-CD1 4.45Å; R996-F1117 HydrophobicContact CG-CE1 4.49Å; R996-F1117 HydrophobicContact CG-CE2 3.69Å; R996-F1117 HydrophobicContact CG-CZ 3.59Å; R996-M1119 HydrophobicContact CB-CE 4.31Å; R996-M1119 HydrophobicContact CB-SD 4.24Å; R996-M1119 HydrophobicContact CG-SD 4.04Å; R996-M1119 WeakPolarHBondContact O-CE 3.22Å |
| 997 | Q | 82.2 | Confident | 82.6 | Confident | 68.75 Ų | 68.75 | 40.6 Ų | 40.6 | 32% | 0.321 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.2 | -46.4 | 174.9 | -151.1 | 174.3 | -10.8 | 0 | 0 | 111.1 | D883 W884 H886 F887 S993 L994 A995 V999 R1000 T1001 | D883-Q997 PolarHBondContact O-NE2 3.44Å; W884-Q997 VanDerWaalsContact CE3-CD 3.43Å; W884-Q997 HydrophobicContact CE3-CG 4.25Å; W884-Q997 HydrophobicContact CH2-CB 4.37Å; W884-Q997 HydrophobicContact CH2-CG 3.72Å; W884-Q997 HydrophobicContact CZ3-CB 4.29Å; W884-Q997 HydrophobicContact CZ3-CG 3.57Å; W884-Q997 VanDerWaalsContact CZ3-NE2 3.33Å; W884-Q997 VanDerWaalsContact CZ3-OE1 3.29Å; H886-Q997 HydrophobicContact CB-CG 4.33Å; H886-Q997 PolarHBondContact O-NE2 3.05Å; F887-Q997 HydrophobicContact CE1-CB 4.03Å; F887-Q997 HydrophobicContact CE2-CB 4.12Å; F887-Q997 HydrophobicContact CZ-CB 3.65Å; S993-Q997 WeakPolarHBondContact O-CG 3.37Å; S993-Q997 PolarHBondContact O-N 3.09Å; S993-Q997 VanDerWaalsContact O-N 3.1Å; L994-Q997 WeakPolarHBondContact O-CB 3.4Å; L994-Q997 PolarHBondContact O-N 3.18Å; L994-Q997 VanDerWaalsContact O-N 3.12Å; A995-Q997 VanDerWaalsContact C-N 3.32Å; A995-Q997 PolarHBondContact O-N 3.14Å; Q997-V999 VanDerWaalsContact C-N 3.32Å; Q997-V999 PolarHBondContact O-N 3.26Å; Q997-R1000 PolarHBondContact O-N 3.16Å; Q997-R1000 VanDerWaalsContact O-N 3.13Å; Q997-T1001 VanDerWaalsContact O-CB 3.31Å; Q997-T1001 WeakPolarHBondContact O-CB 3.28Å; Q997-T1001 PolarHBondContact O-N 3.13Å; Q997-T1001 PolarHBondContact O-OG1 2.96Å |
| 998 | L | 86.3 | Confident | 83.1 | Confident | 3.75 Ų | 3.75 | 45.4 Ų | 45.4 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 177 | -67.1 | 174.9 | 0 | 0 | 0 | 112.6 | I865 W884 F887 L915 L918 L919 L922 L994 A995 R996 R1000 T1001 F1002 | I865-L998 HydrophobicContact CD1-CD2 3.84Å; I865-L998 HydrophobicContact CG1-CD2 3.92Å; I865-L998 HydrophobicContact CG2-CD2 4.03Å; W884-L998 HydrophobicContact CH2-CD2 4.13Å; F887-L998 HydrophobicContact CZ-CD2 4.22Å; L915-L998 HydrophobicContact CD1-CD1 4.26Å; L915-L998 HydrophobicContact CD1-CD2 4.25Å; L918-L998 HydrophobicContact CD2-CD1 3.59Å; L918-L998 HydrophobicContact CG-CD1 4.41Å; L919-L998 HydrophobicContact CD1-CB 4.47Å; L919-L998 HydrophobicContact CD2-CB 3.73Å; L919-L998 HydrophobicContact CD2-CD1 3.96Å; L919-L998 HydrophobicContact CG-CD1 4.46Å; L922-L998 HydrophobicContact CD1-CD1 3.96Å; L994-L998 HydrophobicContact CG-CD1 4.39Å; L994-L998 WeakPolarHBondContact O-CG 3.2Å; L994-L998 PolarHBondContact O-N 3.12Å; A995-L998 PolarHBondContact O-N 3.15Å; R996-L998 VanDerWaalsContact C-N 3.35Å; L998-R1000 VanDerWaalsContact C-N 3.31Å; L998-R1000 PolarHBondContact O-N 2.84Å; L998-T1001 PolarHBondContact O-N 3.14Å; L998-F1002 HydrophobicContact CD2-CD2 4.41Å; L998-F1002 HydrophobicContact CD2-CE2 4.08Å; L998-F1002 WeakPolarHBondContact O-CD2 3.25Å; L998-F1002 PolarHBondContact O-N 3.19Å |
| 999 | V | 84.8 | Confident | 83.5 | Confident | 1.75 Ų | 1.75 | 44.9 Ų | 44.9 | 1% | 0.011 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -64.2 | -38.8 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | L919 A995 R996 Q997 T1001 L1003 H1004 L1058 F1117 M1119 L1129 | L919-V999 HydrophobicContact CD1-CG2 3.99Å; L919-V999 HydrophobicContact CD2-CG2 4.03Å; A995-V999 VanDerWaalsContact O-CG2 3.3Å; A995-V999 WeakPolarHBondContact O-CG2 3.39Å; A995-V999 PolarHBondContact O-N 3.07Å; R996-V999 PolarHBondContact O-N 3.41Å; Q997-V999 VanDerWaalsContact C-N 3.32Å; Q997-V999 PolarHBondContact O-N 3.26Å; V999-T1001 VanDerWaalsContact C-N 3.32Å; V999-L1003 HydrophobicContact CG1-CB 4.13Å; V999-L1003 HydrophobicContact CG1-CD2 4.01Å; V999-L1003 HydrophobicContact CG1-CG 4.49Å; V999-L1003 VanDerWaalsContact O-CB 3.31Å; V999-L1003 WeakPolarHBondContact O-CB 3.36Å; V999-L1003 PolarHBondContact O-N 2.98Å; V999-L1003 VanDerWaalsContact O-N 3.13Å; V999-H1004 PolarHBondContact O-N 3.12Å; V999-H1004 VanDerWaalsContact O-N 3.15Å; V999-H1004 PolarHBondContact O-ND1 3.17Å; V999-L1058 HydrophobicContact CG1-CD1 4.49Å; V999-L1058 HydrophobicContact CG2-CD1 3.84Å; V999-L1058 HydrophobicContact CG2-CD2 4.42Å; V999-F1117 HydrophobicContact CB-CD1 4.05Å; V999-F1117 HydrophobicContact CB-CE1 4.12Å; V999-F1117 HydrophobicContact CG1-CD1 3.96Å; V999-F1117 HydrophobicContact CG1-CG 4.45Å; V999-F1117 HydrophobicContact CG2-CD1 3.91Å; V999-F1117 HydrophobicContact CG2-CE1 4.16Å; V999-F1117 HydrophobicContact CG2-CZ 4.34Å; V999-M1119 HydrophobicContact CB-CE 3.77Å; V999-M1119 HydrophobicContact CB-SD 3.71Å; V999-M1119 VanDerWaalsContact CB-SD 3.54Å; V999-M1119 HydrophobicContact CG1-CE 3.88Å; V999-M1119 HydrophobicContact CG1-CG 3.96Å; V999-M1119 HydrophobicContact CG1-SD 3.33Å; V999-M1119 WeakPolarHBondContact CG1-SD 3.29Å; V999-M1119 HydrophobicContact CG2-SD 4.31Å; V999-L1129 HydrophobicContact CG1-CD1 4.42Å; V999-L1129 HydrophobicContact CG1-CD2 4.2Å |
| 1000 | R | 82.7 | Confident | 84 | Confident | 127.75 Ų | 127.75 | 37 Ų | 37 | 48% | 0.482 | 18% | 0.175 | S | C | . | . | I | π-helix | trans | -68.4 | -38.4 | 174 | -71.3 | -176.7 | 178.2 | 162.2 | -0.5 | 112.4 | H886 R996 Q997 L998 H1004 P1005 M1119 S1121 | H886-R1000 WeakPolarHBondContact CD2-CB 3.43Å; H886-R1000 WeakPolarHBondContact NE2-CB 3.14Å; R996-R1000 WeakPolarHBondContact O-CG 3.3Å; R996-R1000 PolarHBondContact O-N 3.23Å; Q997-R1000 PolarHBondContact O-N 3.16Å; Q997-R1000 VanDerWaalsContact O-N 3.13Å; L998-R1000 VanDerWaalsContact C-N 3.31Å; L998-R1000 PolarHBondContact O-N 2.84Å; R1000-H1004 WeakPolarHBondContact CA-ND1 3.36Å; R1000-P1005 WeakPolarHBondContact O-CD 3.35Å; R1000-M1119 HydrophobicContact CB-CE 4.33Å; R1000-M1119 HydrophobicContact CG-CE 3.33Å; R1000-S1121 PolarHBondContact NE-OG 2.9Å; R1000-S1121 VanDerWaalsContact NE-OG 3.11Å; R1000-S1121 PolarHBondContact NH2-OG 2.92Å |
| 1001 | T | 82.8 | Confident | 84.4 | Confident | 10.8 Ų | 10.8 | 34.3 Ų | 34.3 | 7% | 0.066 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -71.3 | -46.3 | -177.4 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | V880 P882 D883 W884 F887 Q997 L998 V999 P1005 | V880-T1001 HydrophobicContact CG1-CG2 3.5Å; V880-T1001 VanDerWaalsContact CG1-CG2 3.41Å; V880-T1001 WeakPolarHBondContact CG1-O 3.32Å; P882-T1001 CarbonylContact C-O 3.53Å; P882-T1001 WeakPolarHBondContact CA-O 3.47Å; P882-T1001 HydrophobicContact CB-CG2 3.79Å; P882-T1001 WeakPolarHBondContact CB-O 3.39Å; P882-T1001 HydrophobicContact CG-CG2 4.16Å; D883-T1001 PolarHBondContact N-O 3.36Å; D883-T1001 WeakPolarHBondContact O-CA 3.33Å; D883-T1001 WeakPolarHBondContact O-CB 3.44Å; D883-T1001 WeakPolarHBondContact O-CG2 3.29Å; D883-T1001 PolarHBondContact O-OG1 3.03Å; W884-T1001 HydrophobicContact CE3-CG2 4.1Å; W884-T1001 HydrophobicContact CZ3-CG2 4.08Å; F887-T1001 HydrophobicContact CE2-CG2 4.33Å; F887-T1001 WeakPolarHBondContact CE2-OG1 3.35Å; Q997-T1001 VanDerWaalsContact O-CB 3.31Å; Q997-T1001 WeakPolarHBondContact O-CB 3.28Å; Q997-T1001 PolarHBondContact O-N 3.13Å; Q997-T1001 PolarHBondContact O-OG1 2.96Å; L998-T1001 PolarHBondContact O-N 3.14Å; V999-T1001 VanDerWaalsContact C-N 3.32Å; T1001-P1005 WeakPolarHBondContact O-CD 3.22Å; T1001-P1005 VanDerWaalsContact O-CG 3.28Å; T1001-P1005 WeakPolarHBondContact O-CG 3.32Å |
| 1002 | F | 87.4 | Confident | 84.5 | Confident | 1.2 Ų | 1.2 | 39.8 Ų | 39.8 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -102 | -58.1 | -173.2 | -68.7 | -93.1 | 0 | 0 | 0 | 113.2 | I865 L868 C872 V880 L915 L998 H1004 P1005 I1006 W1050 L1054 | I865-F1002 HydrophobicContact CG2-CE2 4.14Å; I865-F1002 HydrophobicContact CG2-CZ 4.33Å; L868-F1002 HydrophobicContact CB-CE1 4.28Å; L868-F1002 HydrophobicContact CB-CZ 4.14Å; C872-F1002 HydrophobicContact CB-CD1 4.26Å; C872-F1002 HydrophobicContact CB-CE1 4.2Å; V880-F1002 HydrophobicContact CG1-CD1 4.09Å; V880-F1002 HydrophobicContact CG1-CE1 4.15Å; V880-F1002 HydrophobicContact CG1-CG 4.29Å; V880-F1002 HydrophobicContact CG1-CZ 4.46Å; V880-F1002 HydrophobicContact CG2-CD1 4.4Å; L915-F1002 HydrophobicContact CD1-CE2 4.48Å; L915-F1002 HydrophobicContact CD2-CB 3.81Å; L915-F1002 HydrophobicContact CD2-CD1 3.63Å; L915-F1002 HydrophobicContact CD2-CD2 3.54Å; L915-F1002 VanDerWaalsContact CD2-CD2 3.5Å; L915-F1002 HydrophobicContact CD2-CE1 4.02Å; L915-F1002 HydrophobicContact CD2-CE2 3.96Å; L915-F1002 HydrophobicContact CD2-CG 3.37Å; L915-F1002 VanDerWaalsContact CD2-CG 3.4Å; L915-F1002 HydrophobicContact CD2-CZ 4.18Å; L998-F1002 HydrophobicContact CD2-CD2 4.41Å; L998-F1002 HydrophobicContact CD2-CE2 4.08Å; L998-F1002 WeakPolarHBondContact O-CD2 3.25Å; L998-F1002 PolarHBondContact O-N 3.19Å; F1002-H1004 PolarHBondContact O-N 3.21Å; F1002-P1005 VanDerWaalsContact O-CD 3.31Å; F1002-P1005 WeakPolarHBondContact O-CD 3.39Å; F1002-I1006 VanDerWaalsContact O-CD1 3.31Å; F1002-I1006 WeakPolarHBondContact O-CD1 3.31Å; F1002-I1006 VanDerWaalsContact O-CG1 3.3Å; F1002-I1006 WeakPolarHBondContact O-CG1 3.29Å; F1002-I1006 PolarHBondContact O-N 3.25Å; F1002-W1050 HydrophobicContact CD1-CH2 4.29Å; F1002-W1050 HydrophobicContact CD1-CZ3 4.29Å; F1002-W1050 HydrophobicContact CE1-CH2 4.38Å; F1002-L1054 HydrophobicContact CB-CD1 4.27Å |
| 1003 | L | 86.8 | Confident | 84.6 | Confident | 1.4 Ų | 1.4 | 40.1 Ų | 40.1 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -68 | -40 | -168.2 | -172 | 61.7 | 0 | 0 | 0 | 112.6 | V999 I1006 M1007 M1051 L1054 M1055 L1058 L1129 | V999-L1003 HydrophobicContact CG1-CB 4.13Å; V999-L1003 HydrophobicContact CG1-CD2 4.01Å; V999-L1003 HydrophobicContact CG1-CG 4.49Å; V999-L1003 VanDerWaalsContact O-CB 3.31Å; V999-L1003 WeakPolarHBondContact O-CB 3.36Å; V999-L1003 PolarHBondContact O-N 2.98Å; V999-L1003 VanDerWaalsContact O-N 3.13Å; L1003-I1006 PolarHBondContact O-N 3.2Å; L1003-M1007 HydrophobicContact CD1-CE 4.03Å; L1003-M1007 HydrophobicContact CD1-CG 4.46Å; L1003-M1007 HydrophobicContact CD1-SD 4.27Å; L1003-M1007 HydrophobicContact CD2-CE 3.76Å; L1003-M1007 HydrophobicContact CD2-SD 4.39Å; L1003-M1007 HydrophobicContact CG-CE 3.72Å; L1003-M1007 HydrophobicContact CG-CG 4.35Å; L1003-M1007 HydrophobicContact CG-SD 3.96Å; L1003-M1007 WeakPolarHBondContact O-CB 3.43Å; L1003-M1007 VanDerWaalsContact O-CG 3.3Å; L1003-M1007 WeakPolarHBondContact O-CG 3.34Å; L1003-M1007 PolarHBondContact O-N 3.35Å; L1003-M1051 HydrophobicContact CD1-CE 4.5Å; L1003-M1051 HydrophobicContact CD1-SD 3.56Å; L1003-M1051 VanDerWaalsContact CD1-SD 3.54Å; L1003-M1051 WeakPolarHBondContact CD1-SD 3.29Å; L1003-L1054 HydrophobicContact CB-CD1 4.24Å; L1003-L1054 HydrophobicContact CD1-CB 3.94Å; L1003-L1054 HydrophobicContact CD1-CD1 3.98Å; L1003-M1055 HydrophobicContact CD2-SD 4.03Å; L1003-L1058 HydrophobicContact CD2-CD1 4.21Å; L1003-L1129 HydrophobicContact CD2-CD1 3.85Å; L1003-L1129 HydrophobicContact CD2-CD2 3.76Å; L1003-L1129 HydrophobicContact CD2-CG 4.25Å; L1003-L1129 HydrophobicContact CG-CD1 4.46Å |
| 1004 | H | 85.2 | Confident | 84.8 | Confident | 32.8 Ų | 32.8 | 38.9 Ų | 38.9 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -45.7 | -179 | -89.3 | 70.6 | 0 | 0 | 0 | 113.3 | V999 R1000 F1002 I1006 M1007 K1008 M1119 S1120 S1121 | V999-H1004 PolarHBondContact O-N 3.12Å; V999-H1004 VanDerWaalsContact O-N 3.15Å; V999-H1004 PolarHBondContact O-ND1 3.17Å; R1000-H1004 WeakPolarHBondContact CA-ND1 3.36Å; F1002-H1004 PolarHBondContact O-N 3.21Å; H1004-I1006 VanDerWaalsContact C-N 3.35Å; H1004-I1006 PolarHBondContact O-N 3.4Å; H1004-M1007 PolarHBondContact O-N 3.02Å; H1004-K1008 PolarHBondContact CD2-NZ 3.37Å; H1004-K1008 WeakPolarHBondContact NE2-CE 3.42Å; H1004-K1008 PolarHBondContact NE2-NZ 2.95Å; H1004-K1008 WeakPolarHBondContact O-CG 3.32Å; H1004-K1008 PolarHBondContact O-N 3.25Å; H1004-K1008 VanDerWaalsContact O-N 3.11Å; H1004-M1119 HydrophobicContact CB-CE 3.69Å; H1004-M1119 HydrophobicContact CB-SD 3.93Å; H1004-M1119 VanDerWaalsContact CE1-CE 3.47Å; H1004-M1119 WeakPolarHBondContact CE1-CE 3.42Å; H1004-M1119 PolarHBondContact ND1-SD 2.95Å; H1004-M1119 VanDerWaalsContact ND1-SD 3.36Å; H1004-S1120 PolarHBondContact NE2-O 3.38Å; H1004-S1121 PolarHBondContact CD2-O 3.17Å; H1004-S1121 WeakPolarHBondContact NE2-CA 3.37Å; H1004-S1121 PolarHBondContact NE2-O 3.01Å |
| 1005 | P | 84.9 | Confident | 84.8 | Confident | 26.8 Ų | 26.8 | 44.5 Ų | 44.5 | 17% | 0.174 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 170.5 | -30.2 | 37.7 | 0 | 0 | 0 | 114.2 | C878 V880 K881 D883 R1000 T1001 F1002 M1007 K1008 E1009 | C878-P1005 WeakPolarHBondContact SG-CB 3.32Å; V880-P1005 HydrophobicContact CG1-CB 3.8Å; V880-P1005 HydrophobicContact CG2-CB 4.39Å; K881-P1005 WeakPolarHBondContact O-CB 3.46Å; K881-P1005 WeakPolarHBondContact O-CG 3.5Å; D883-P1005 HydrophobicContact CB-CG 4.26Å; R1000-P1005 WeakPolarHBondContact O-CD 3.35Å; T1001-P1005 WeakPolarHBondContact O-CD 3.22Å; T1001-P1005 VanDerWaalsContact O-CG 3.28Å; T1001-P1005 WeakPolarHBondContact O-CG 3.32Å; F1002-P1005 VanDerWaalsContact O-CD 3.31Å; F1002-P1005 WeakPolarHBondContact O-CD 3.39Å; P1005-M1007 VanDerWaalsContact C-N 3.34Å; P1005-M1007 PolarHBondContact O-N 2.98Å; P1005-K1008 PolarHBondContact O-N 3.18Å; P1005-E1009 WeakPolarHBondContact O-CB 3.4Å; P1005-E1009 PolarHBondContact O-N 3.25Å |
| 1006 | I | 87.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 178 | -68.1 | 159.7 | 0 | 0 | 0 | 110.9 | V880 F1002 L1003 H1004 K1008 E1009 L1010 L1047 W1050 M1051 L1054 | V880-I1006 HydrophobicContact CG1-CG1 3.88Å; V880-I1006 HydrophobicContact CG2-CG1 4.33Å; F1002-I1006 VanDerWaalsContact O-CD1 3.31Å; F1002-I1006 WeakPolarHBondContact O-CD1 3.31Å; F1002-I1006 VanDerWaalsContact O-CG1 3.3Å; F1002-I1006 WeakPolarHBondContact O-CG1 3.29Å; F1002-I1006 PolarHBondContact O-N 3.25Å; L1003-I1006 PolarHBondContact O-N 3.2Å; H1004-I1006 VanDerWaalsContact C-N 3.35Å; H1004-I1006 PolarHBondContact O-N 3.4Å; I1006-K1008 VanDerWaalsContact C-N 3.34Å; I1006-K1008 PolarHBondContact O-N 3.18Å; I1006-E1009 PolarHBondContact O-N 3.1Å; I1006-L1010 HydrophobicContact CG2-CD1 4.16Å; I1006-L1010 WeakPolarHBondContact O-CG 3.33Å; I1006-L1010 PolarHBondContact O-N 3.21Å; I1006-L1047 HydrophobicContact CG1-CD2 4.41Å; I1006-L1047 HydrophobicContact CG2-CD2 4.14Å; I1006-W1050 HydrophobicContact CD1-CB 3.72Å; I1006-W1050 HydrophobicContact CD1-CD2 4.3Å; I1006-W1050 HydrophobicContact CD1-CE3 4.26Å; I1006-W1050 HydrophobicContact CD1-CG 4.13Å; I1006-W1050 HydrophobicContact CG1-CB 4.46Å; I1006-W1050 HydrophobicContact CG2-CB 4.49Å; I1006-M1051 HydrophobicContact CG2-CB 4.27Å; I1006-L1054 HydrophobicContact CD1-CD1 3.94Å |
| 1007 | M | 86.9 | Confident | 84.4 | Confident | 11 Ų | 11 | 44 Ų | 44 | 5% | 0.054 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -43 | 177 | -73.7 | 172.2 | 87.6 | 0 | 0 | 112 | L1003 H1004 P1005 E1009 L1010 E1011 M1051 M1055 M1119 L1129 T1132 A1133 I1136 | L1003-M1007 HydrophobicContact CD1-CE 4.03Å; L1003-M1007 HydrophobicContact CD1-CG 4.46Å; L1003-M1007 HydrophobicContact CD1-SD 4.27Å; L1003-M1007 HydrophobicContact CD2-CE 3.76Å; L1003-M1007 HydrophobicContact CD2-SD 4.39Å; L1003-M1007 HydrophobicContact CG-CE 3.72Å; L1003-M1007 HydrophobicContact CG-CG 4.35Å; L1003-M1007 HydrophobicContact CG-SD 3.96Å; L1003-M1007 WeakPolarHBondContact O-CB 3.43Å; L1003-M1007 VanDerWaalsContact O-CG 3.3Å; L1003-M1007 WeakPolarHBondContact O-CG 3.34Å; L1003-M1007 PolarHBondContact O-N 3.35Å; H1004-M1007 PolarHBondContact O-N 3.02Å; P1005-M1007 VanDerWaalsContact C-N 3.34Å; P1005-M1007 PolarHBondContact O-N 2.98Å; M1007-E1009 VanDerWaalsContact C-N 3.3Å; M1007-E1009 PolarHBondContact O-N 3.04Å; M1007-L1010 PolarHBondContact O-N 3.14Å; M1007-E1011 WeakPolarHBondContact O-CG 3.35Å; M1007-E1011 PolarHBondContact O-N 3.16Å; M1007-M1051 HydrophobicContact CE-CE 4.06Å; M1007-M1051 HydrophobicContact CE-SD 3.99Å; M1007-M1051 HydrophobicContact CG-CE 3.97Å; M1007-M1051 HydrophobicContact CG-SD 3.87Å; M1007-M1051 HydrophobicContact SD-CE 4.26Å; M1007-M1051 HydrophobicContact SD-SD 4.48Å; M1007-M1055 HydrophobicContact CE-SD 4.01Å; M1007-M1119 HydrophobicContact CE-CE 3.72Å; M1007-M1119 HydrophobicContact SD-CE 3.32Å; M1007-M1119 WeakPolarHBondContact SD-CE 3.15Å; M1007-L1129 HydrophobicContact CE-CD1 4.18Å; M1007-L1129 HydrophobicContact CE-CG 4.25Å; M1007-L1129 HydrophobicContact SD-CD1 3.94Å; M1007-T1132 HydrophobicContact CE-CG2 3.31Å; M1007-T1132 VanDerWaalsContact CE-OG1 3.29Å; M1007-T1132 WeakPolarHBondContact CE-OG1 3.36Å; M1007-A1133 HydrophobicContact CE-CB 4.17Å; M1007-I1136 HydrophobicContact CB-CD1 3.75Å; M1007-I1136 HydrophobicContact CE-CD1 3.58Å; M1007-I1136 VanDerWaalsContact CE-CD1 3.49Å; M1007-I1136 HydrophobicContact CG-CD1 3.95Å; M1007-I1136 HydrophobicContact SD-CD1 4.48Å |
| 1008 | K | 85.8 | Confident | 84.2 | Confident | 132.6 Ų | 132.6 | 42.5 Ų | 42.5 | 58% | 0.577 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -62.9 | -40.4 | 176.5 | -73.4 | 179.8 | 175.6 | -176.3 | 0 | 112.8 | H1004 P1005 I1006 L1010 E1011 R1012 K1122 | H1004-K1008 PolarHBondContact CD2-NZ 3.37Å; H1004-K1008 WeakPolarHBondContact NE2-CE 3.42Å; H1004-K1008 PolarHBondContact NE2-NZ 2.95Å; H1004-K1008 WeakPolarHBondContact O-CG 3.32Å; H1004-K1008 PolarHBondContact O-N 3.25Å; H1004-K1008 VanDerWaalsContact O-N 3.11Å; P1005-K1008 PolarHBondContact O-N 3.18Å; I1006-K1008 VanDerWaalsContact C-N 3.34Å; I1006-K1008 PolarHBondContact O-N 3.18Å; K1008-L1010 VanDerWaalsContact C-N 3.35Å; K1008-E1011 PolarHBondContact O-N 3.33Å; K1008-R1012 WeakPolarHBondContact O-CB 3.34Å; K1008-R1012 PolarHBondContact O-N 2.88Å; K1008-K1122 VanDerWaalsContact CE-NZ 3.28Å |
| 1009 | E | 85 | Confident | 83.7 | Confident | 41.4 Ų | 41.4 | 45.2 Ų | 45.2 | 19% | 0.193 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.3 | -35.6 | 176.2 | -90.1 | -48.9 | 154.5 | 0 | 0 | 112.1 | C878 L879 V880 P1005 I1006 M1007 R1012 I1013 R1043 L1047 | C878-E1009 HydrophobicContact CB-CG 4.22Å; L879-E1009 HydrophobicContact CD2-CB 3.93Å; L879-E1009 HydrophobicContact CD2-CG 3.97Å; L879-E1009 HydrophobicContact CG-CB 4.49Å; L879-E1009 HydrophobicContact CG-CG 3.98Å; L879-E1009 WeakPolarHBondContact CG-OE2 3.41Å; V880-E1009 HydrophobicContact CG2-CG 4.38Å; P1005-E1009 WeakPolarHBondContact O-CB 3.4Å; P1005-E1009 PolarHBondContact O-N 3.25Å; I1006-E1009 PolarHBondContact O-N 3.1Å; M1007-E1009 VanDerWaalsContact C-N 3.3Å; M1007-E1009 PolarHBondContact O-N 3.04Å; E1009-R1012 WeakPolarHBondContact O-CB 3.46Å; E1009-R1012 PolarHBondContact O-N 3.11Å; E1009-R1012 IonicContact OE1-CZ 3.17Å; E1009-R1012 IonicContact OE1-NE 3.47Å; E1009-R1012 PolarHBondContact OE1-NE 2.69Å; E1009-R1012 VanDerWaalsContact OE1-NE 3.08Å; E1009-R1012 IonicContact OE1-NH1 3.19Å; E1009-R1012 IonicContact OE1-NH2 3.5Å; E1009-R1012 PolarHBondContact OE1-NH2 3.27Å; E1009-R1012 IonicContact OE2-CZ 3.23Å; E1009-R1012 VanDerWaalsContact OE2-CZ 3.24Å; E1009-R1012 IonicContact OE2-NE 3.24Å; E1009-R1012 PolarHBondContact OE2-NE 3.18Å; E1009-R1012 IonicContact OE2-NH2 2.98Å; E1009-R1012 PolarHBondContact OE2-NH2 2.97Å; E1009-I1013 WeakPolarHBondContact O-CB 3.47Å; E1009-I1013 VanDerWaalsContact O-CG1 3.32Å; E1009-I1013 WeakPolarHBondContact O-CG1 3.24Å; E1009-I1013 PolarHBondContact O-N 3.02Å; E1009-R1043 IonicContact OE2-CZ 3.22Å; E1009-R1043 IonicContact OE2-NE 2.83Å; E1009-R1043 IonicContact OE2-NH2 2.68Å; E1009-R1043 PolarHBondContact OE2-NH2 2.84Å; E1009-L1047 HydrophobicContact CB-CD1 4.29Å; E1009-L1047 HydrophobicContact CB-CD2 4.25Å; E1009-L1047 HydrophobicContact CG-CD1 3.68Å; E1009-L1047 HydrophobicContact CG-CD2 4.07Å |
| 1010 | L | 87.1 | Confident | 83 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -38.8 | 172.4 | -74.9 | 174.9 | 0 | 0 | 0 | 112.5 | I1006 M1007 K1008 I1013 H1014 F1044 L1047 T1048 M1051 I1136 L1140 | I1006-L1010 HydrophobicContact CG2-CD1 4.16Å; I1006-L1010 WeakPolarHBondContact O-CG 3.33Å; I1006-L1010 PolarHBondContact O-N 3.21Å; M1007-L1010 PolarHBondContact O-N 3.14Å; K1008-L1010 VanDerWaalsContact C-N 3.35Å; L1010-I1013 PolarHBondContact O-N 3.06Å; L1010-H1014 PolarHBondContact O-N 2.96Å; L1010-F1044 HydrophobicContact CD2-CD2 4.19Å; L1010-F1044 HydrophobicContact CD2-CE2 3.92Å; L1010-L1047 HydrophobicContact CD2-CB 3.87Å; L1010-L1047 HydrophobicContact CD2-CD1 4.27Å; L1010-L1047 HydrophobicContact CG-CB 4.34Å; L1010-T1048 HydrophobicContact CD2-CG2 4.36Å; L1010-M1051 HydrophobicContact CD1-CB 3.87Å; L1010-M1051 HydrophobicContact CD1-CG 3.88Å; L1010-M1051 HydrophobicContact CD1-SD 4.26Å; L1010-I1136 HydrophobicContact CB-CG2 4.06Å; L1010-L1140 HydrophobicContact CB-CD1 4.17Å; L1010-L1140 HydrophobicContact CD2-CD1 4.11Å |
| 1011 | E | 86 | Confident | 82.2 | Confident | 77.8 Ų | 77.8 | 42.8 Ų | 42.8 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 172.5 | -73.1 | -178 | 146.4 | 0 | 0 | 111.8 | M1007 K1008 I1013 H1014 E1015 I1136 | M1007-E1011 WeakPolarHBondContact O-CG 3.35Å; M1007-E1011 PolarHBondContact O-N 3.16Å; K1008-E1011 PolarHBondContact O-N 3.33Å; E1011-I1013 VanDerWaalsContact C-N 3.34Å; E1011-I1013 PolarHBondContact O-N 3.16Å; E1011-H1014 WeakPolarHBondContact O-CB 3.29Å; E1011-H1014 PolarHBondContact O-N 3.04Å; E1011-E1015 PolarHBondContact O-N 3.14Å; E1011-I1136 HydrophobicContact CG-CD1 3.92Å; E1011-I1136 HydrophobicContact CG-CG1 3.84Å |
| 1012 | R | 83.3 | Confident | 81.3 | Confident | 115.6 Ų | 115.6 | 48.9 Ų | 48.9 | 44% | 0.436 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 174 | -168.8 | 178.3 | 88 | 136.7 | 1.2 | 112.3 | K1008 E1009 H1014 E1015 N1016 | K1008-R1012 WeakPolarHBondContact O-CB 3.34Å; K1008-R1012 PolarHBondContact O-N 2.88Å; E1009-R1012 WeakPolarHBondContact O-CB 3.46Å; E1009-R1012 PolarHBondContact O-N 3.11Å; E1009-R1012 IonicContact OE1-CZ 3.17Å; E1009-R1012 IonicContact OE1-NE 3.47Å; E1009-R1012 PolarHBondContact OE1-NE 2.69Å; E1009-R1012 VanDerWaalsContact OE1-NE 3.08Å; E1009-R1012 IonicContact OE1-NH1 3.19Å; E1009-R1012 IonicContact OE1-NH2 3.5Å; E1009-R1012 PolarHBondContact OE1-NH2 3.27Å; E1009-R1012 IonicContact OE2-CZ 3.23Å; E1009-R1012 VanDerWaalsContact OE2-CZ 3.24Å; E1009-R1012 IonicContact OE2-NE 3.24Å; E1009-R1012 PolarHBondContact OE2-NE 3.18Å; E1009-R1012 IonicContact OE2-NH2 2.98Å; E1009-R1012 PolarHBondContact OE2-NH2 2.97Å; R1012-H1014 VanDerWaalsContact C-N 3.33Å; R1012-E1015 PolarHBondContact O-N 3.04Å; R1012-N1016 VanDerWaalsContact O-CG 3.25Å; R1012-N1016 PolarHBondContact O-N 2.99Å; R1012-N1016 PolarHBondContact O-ND2 3.13Å |
| 1013 | I | 82.6 | Confident | 80 | Confident | 27.8 Ų | 27.8 | 52.4 Ų | 52.4 | 14% | 0.143 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65 | -40.7 | 173.9 | -71.8 | 170.7 | 0 | 0 | 0 | 110.7 | E1009 L1010 E1011 E1015 N1016 L1017 F1044 L1047 L1140 | E1009-I1013 WeakPolarHBondContact O-CB 3.47Å; E1009-I1013 VanDerWaalsContact O-CG1 3.32Å; E1009-I1013 WeakPolarHBondContact O-CG1 3.24Å; E1009-I1013 PolarHBondContact O-N 3.02Å; L1010-I1013 PolarHBondContact O-N 3.06Å; E1011-I1013 VanDerWaalsContact C-N 3.34Å; E1011-I1013 PolarHBondContact O-N 3.16Å; I1013-E1015 VanDerWaalsContact C-N 3.34Å; I1013-E1015 PolarHBondContact O-N 3.04Å; I1013-N1016 WeakPolarHBondContact O-CB 3.06Å; I1013-N1016 PolarHBondContact O-N 3.11Å; I1013-L1017 HydrophobicContact CG2-CD1 3.95Å; I1013-L1017 HydrophobicContact CG2-CG 4.23Å; I1013-L1017 WeakPolarHBondContact O-CG 3.38Å; I1013-L1017 PolarHBondContact O-N 3.16Å; I1013-F1044 HydrophobicContact CD1-CB 4.47Å; I1013-F1044 HydrophobicContact CD1-CD2 3.9Å; I1013-F1044 HydrophobicContact CG2-CD2 3.96Å; I1013-F1044 HydrophobicContact CG2-CE2 3.95Å; I1013-L1047 HydrophobicContact CD1-CD1 3.42Å; I1013-L1047 VanDerWaalsContact CD1-CD1 3.45Å; I1013-L1140 HydrophobicContact CG2-CD2 4.37Å |
| 1014 | H | 84.1 | Confident | 78.1 | Confident | 37.2 Ų | 37.2 | 58.2 Ų | 58.2 | 17% | 0.172 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 172.8 | 162.7 | -88.9 | 0 | 0 | 0 | 111.5 | L1010 E1011 R1012 N1016 L1017 T1018 K1139 L1140 | L1010-H1014 PolarHBondContact O-N 2.96Å; E1011-H1014 WeakPolarHBondContact O-CB 3.29Å; E1011-H1014 PolarHBondContact O-N 3.04Å; R1012-H1014 VanDerWaalsContact C-N 3.33Å; H1014-N1016 VanDerWaalsContact C-N 3.32Å; H1014-N1016 PolarHBondContact O-N 3.05Å; H1014-L1017 PolarHBondContact O-N 3.12Å; H1014-L1017 VanDerWaalsContact O-N 3.1Å; H1014-T1018 PolarHBondContact CE1-OG1 3.07Å; H1014-T1018 PolarHBondContact NE2-OG1 3.23Å; H1014-T1018 WeakPolarHBondContact O-CB 3.43Å; H1014-T1018 PolarHBondContact O-N 3.07Å; H1014-T1018 PolarHBondContact O-OG1 3.16Å; H1014-K1139 PolarHBondContact CD2-O 3.05Å; H1014-L1140 HydrophobicContact CB-CD2 3.69Å; H1014-L1140 HydrophobicContact CB-CG 4.18Å |
| 1015 | E | 82.1 | Confident | 76 | Confident | 127.4 Ų | 127.4 | 61 Ų | 61 | 60% | 0.595 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.5 | -42.5 | 176.5 | -69.6 | 173.4 | 175.1 | 0 | 0 | 112.2 | E1011 R1012 I1013 T1018 S1019 | E1011-E1015 PolarHBondContact O-N 3.14Å; R1012-E1015 PolarHBondContact O-N 3.04Å; I1013-E1015 VanDerWaalsContact C-N 3.34Å; I1013-E1015 PolarHBondContact O-N 3.04Å; E1015-T1018 PolarHBondContact O-N 2.91Å; E1015-T1018 PolarHBondContact O-OG1 3.32Å; E1015-S1019 WeakPolarHBondContact O-CB 3.47Å; E1015-S1019 PolarHBondContact O-N 3.16Å |
| 1016 | N | 79.3 | Confident | 73.8 | Confident | 62.4 Ų | 62.4 | 65.2 Ų | 65.2 | 33% | 0.334 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.6 | -67.1 | -35.3 | 0 | 0 | 0 | 112.1 | R1012 I1013 H1014 T1018 S1019 L1020 | R1012-N1016 VanDerWaalsContact O-CG 3.25Å; R1012-N1016 PolarHBondContact O-N 2.99Å; R1012-N1016 PolarHBondContact O-ND2 3.13Å; I1013-N1016 WeakPolarHBondContact O-CB 3.06Å; I1013-N1016 PolarHBondContact O-N 3.11Å; H1014-N1016 VanDerWaalsContact C-N 3.32Å; H1014-N1016 PolarHBondContact O-N 3.05Å; N1016-T1018 VanDerWaalsContact C-N 3.32Å; N1016-T1018 PolarHBondContact O-N 3.2Å; N1016-S1019 PolarHBondContact O-N 2.99Å; N1016-S1019 PolarHBondContact O-OG 2.93Å; N1016-L1020 PolarHBondContact O-N 2.98Å; N1016-L1020 VanDerWaalsContact O-N 3.1Å |
| 1017 | L | 79.1 | Confident | 71.4 | Confident | 16.6 Ų | 16.6 | 70.2 Ų | 70.2 | 9% | 0.087 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 178.2 | -69.5 | 175.9 | 0 | 0 | 0 | 112.2 | I1013 H1014 S1019 L1020 L1021 L1140 V1143 I1144 L1147 F1202 | I1013-L1017 HydrophobicContact CG2-CD1 3.95Å; I1013-L1017 HydrophobicContact CG2-CG 4.23Å; I1013-L1017 WeakPolarHBondContact O-CG 3.38Å; I1013-L1017 PolarHBondContact O-N 3.16Å; H1014-L1017 PolarHBondContact O-N 3.12Å; H1014-L1017 VanDerWaalsContact O-N 3.1Å; L1017-S1019 VanDerWaalsContact C-N 3.32Å; L1017-L1020 WeakPolarHBondContact O-CB 3.32Å; L1017-L1020 PolarHBondContact O-N 3.18Å; L1017-L1021 PolarHBondContact O-N 3.19Å; L1017-L1021 VanDerWaalsContact O-N 3.09Å; L1017-L1140 HydrophobicContact CD1-CD2 4.32Å; L1017-V1143 HydrophobicContact CB-CG1 3.66Å; L1017-I1144 HydrophobicContact CD1-CG1 4.37Å; L1017-L1147 HydrophobicContact CB-CD1 4.24Å; L1017-L1147 HydrophobicContact CD2-CD1 4.04Å; L1017-F1202 HydrophobicContact CD1-CE1 4.26Å; L1017-F1202 HydrophobicContact CD1-CZ 4.25Å; L1017-F1202 HydrophobicContact CD2-CE1 4.36Å; L1017-F1202 HydrophobicContact CD2-CZ 3.94Å |
| 1018 | T | 77.9 | Confident | 69.1 | Low | 36 Ų | 36 | 76.2 Ų | 76.2 | 22% | 0.221 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 173.1 | -35.6 | 0 | 0 | 0 | 0 | 111 | H1014 E1015 N1016 L1020 L1021 H1022 V1143 | H1014-T1018 PolarHBondContact CE1-OG1 3.07Å; H1014-T1018 PolarHBondContact NE2-OG1 3.23Å; H1014-T1018 WeakPolarHBondContact O-CB 3.43Å; H1014-T1018 PolarHBondContact O-N 3.07Å; H1014-T1018 PolarHBondContact O-OG1 3.16Å; E1015-T1018 PolarHBondContact O-N 2.91Å; E1015-T1018 PolarHBondContact O-OG1 3.32Å; N1016-T1018 VanDerWaalsContact C-N 3.32Å; N1016-T1018 PolarHBondContact O-N 3.2Å; T1018-L1020 VanDerWaalsContact C-N 3.3Å; T1018-L1020 PolarHBondContact O-N 3.13Å; T1018-L1021 WeakPolarHBondContact O-CB 3.37Å; T1018-L1021 PolarHBondContact O-N 2.94Å; T1018-H1022 PolarHBondContact O-CD2 3.1Å; T1018-H1022 VanDerWaalsContact O-CD2 3.31Å; T1018-H1022 PolarHBondContact O-N 3.2Å; T1018-V1143 HydrophobicContact CG2-CG1 4.26Å; T1018-V1143 HydrophobicContact CG2-CG2 3.54Å |
| 1019 | S | 75.6 | Confident | 67.1 | Low | 61.8 Ų | 61.8 | 74 Ų | 74 | 43% | 0.432 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 173.8 | 79.2 | 0 | 0 | 0 | 0 | 111.8 | E1015 N1016 L1017 L1021 H1022 T1023 | E1015-S1019 WeakPolarHBondContact O-CB 3.47Å; E1015-S1019 PolarHBondContact O-N 3.16Å; N1016-S1019 PolarHBondContact O-N 2.99Å; N1016-S1019 PolarHBondContact O-OG 2.93Å; L1017-S1019 VanDerWaalsContact C-N 3.32Å; S1019-L1021 VanDerWaalsContact C-N 3.31Å; S1019-L1021 PolarHBondContact O-N 2.99Å; S1019-H1022 CarbonylContact O-C 3.59Å; S1019-H1022 PolarHBondContact O-N 3.12Å; S1019-H1022 VanDerWaalsContact O-N 3.14Å; S1019-T1023 WeakPolarHBondContact O-CG2 3.31Å; S1019-T1023 PolarHBondContact O-N 3.03Å; S1019-T1023 VanDerWaalsContact O-N 3.1Å; S1019-T1023 PolarHBondContact O-OG1 3.06Å |
| 1020 | L | 70.1 | Confident | 65.2 | Low | 49.4 Ų | 49.4 | 76.7 Ų | 76.7 | 26% | 0.259 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 177.1 | -170.5 | 70.1 | 0 | 0 | 0 | 112.2 | N1016 L1017 T1018 H1022 T1023 L1147 I1198 L1201 | N1016-L1020 PolarHBondContact O-N 2.98Å; N1016-L1020 VanDerWaalsContact O-N 3.1Å; L1017-L1020 WeakPolarHBondContact O-CB 3.32Å; L1017-L1020 PolarHBondContact O-N 3.18Å; T1018-L1020 VanDerWaalsContact C-N 3.3Å; T1018-L1020 PolarHBondContact O-N 3.13Å; L1020-H1022 VanDerWaalsContact C-N 3.29Å; L1020-H1022 PolarHBondContact O-N 3.17Å; L1020-T1023 WeakPolarHBondContact CA-OG1 3.29Å; L1020-T1023 PolarHBondContact O-N 3.21Å; L1020-T1023 VanDerWaalsContact O-N 3.1Å; L1020-T1023 PolarHBondContact O-OG1 3.11Å; L1020-T1023 VanDerWaalsContact O-OG1 3.11Å; L1020-L1147 HydrophobicContact CD2-CD1 4.46Å; L1020-L1147 HydrophobicContact CD2-CD2 4.4Å; L1020-L1147 HydrophobicContact CG-CD2 4.47Å; L1020-I1198 HydrophobicContact CD2-CD1 4.36Å; L1020-I1198 HydrophobicContact CD2-CG1 4.14Å; L1020-L1201 HydrophobicContact CD2-CD1 4.41Å |
| 1021 | L | 65.8 | Low | 63.1 | Low | 28 Ų | 28 | 78.2 Ų | 78.2 | 15% | 0.147 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.1 | -30.6 | 175.9 | -168.1 | 118.3 | 0 | 0 | 0 | 112.1 | L1017 T1018 S1019 Q1146 L1147 E1150 | L1017-L1021 PolarHBondContact O-N 3.19Å; L1017-L1021 VanDerWaalsContact O-N 3.09Å; T1018-L1021 WeakPolarHBondContact O-CB 3.37Å; T1018-L1021 PolarHBondContact O-N 2.94Å; S1019-L1021 VanDerWaalsContact C-N 3.31Å; S1019-L1021 PolarHBondContact O-N 2.99Å; L1021-Q1146 HydrophobicContact CD1-CB 3.79Å; L1021-Q1146 HydrophobicContact CD2-CB 4.44Å; L1021-Q1146 VanDerWaalsContact CD2-OE1 3.26Å; L1021-L1147 HydrophobicContact CB-CD2 4.07Å; L1021-L1147 HydrophobicContact CD1-CD2 4.03Å; L1021-L1147 HydrophobicContact CD1-CG 4.18Å; L1021-L1147 HydrophobicContact CG-CD2 4.35Å; L1021-E1150 VanDerWaalsContact CD1-CD 3.48Å; L1021-E1150 HydrophobicContact CD1-CG 4.47Å; L1021-E1150 WeakPolarHBondContact CD1-OE1 3.43Å; L1021-E1150 VanDerWaalsContact CD1-OE2 3.31Å; L1021-E1150 WeakPolarHBondContact CD1-OE2 3.46Å |
| 1022 | H | 64.3 | Low | 61.3 | Low | 138.8 Ų | 138.8 | 76.8 Ų | 76.8 | 64% | 0.643 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -91.6 | -16.2 | 179 | -65.6 | -42.3 | 0 | 0 | 0 | 114.4 | T1018 S1019 L1020 T1024 | T1018-H1022 PolarHBondContact O-CD2 3.1Å; T1018-H1022 VanDerWaalsContact O-CD2 3.31Å; T1018-H1022 PolarHBondContact O-N 3.2Å; S1019-H1022 CarbonylContact O-C 3.59Å; S1019-H1022 PolarHBondContact O-N 3.12Å; S1019-H1022 VanDerWaalsContact O-N 3.14Å; L1020-H1022 VanDerWaalsContact C-N 3.29Å; L1020-H1022 PolarHBondContact O-N 3.17Å; H1022-T1024 PolarHBondContact O-N 3.08Å; H1022-T1024 VanDerWaalsContact O-N 3.12Å |
| 1023 | T | 61.1 | Low | 59.7 | Low | 75.6 Ų | 75.6 | 77.1 Ų | 77.1 | 46% | 0.464 | 43% | 0.434 | S | S | . | . | trans | -82.8 | 99.1 | 178.1 | 47.5 | 0 | 0 | 0 | 0 | 111.6 | S1019 L1020 T1025 | S1019-T1023 WeakPolarHBondContact O-CG2 3.31Å; S1019-T1023 PolarHBondContact O-N 3.03Å; S1019-T1023 VanDerWaalsContact O-N 3.1Å; S1019-T1023 PolarHBondContact O-OG1 3.06Å; L1020-T1023 WeakPolarHBondContact CA-OG1 3.29Å; L1020-T1023 PolarHBondContact O-N 3.21Å; L1020-T1023 VanDerWaalsContact O-N 3.1Å; L1020-T1023 PolarHBondContact O-OG1 3.11Å; L1020-T1023 VanDerWaalsContact O-OG1 3.11Å; T1023-T1025 PolarHBondContact O-N 3.2Å | ||
| 1024 | T | 47 | Very low | 58.3 | Low | 123.6 Ų | 123.6 | 78.9 Ų | 78.9 | 76% | 0.758 | 46% | 0.459 | S | S | * | . | trans | -81.1 | 4 | 176.6 | 50.1 | 0 | 0 | 0 | 0 | 114.4 | H1022 L1443 | H1022-T1024 PolarHBondContact O-N 3.08Å; H1022-T1024 VanDerWaalsContact O-N 3.12Å; T1024-L1443 VanDerWaalsContact CB-CD1 3.45Å; T1024-L1443 HydrophobicContact CG2-CD1 3.51Å | ||
| 1025 | T | 40.7 | Very low | 57.3 | Low | 90.6 Ų | 90.6 | 79.3 Ų | 79.3 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | trans | -107.2 | 120.5 | -167.4 | 45.9 | 0 | 0 | 0 | 0 | 114 | T1023 N1027 | T1023-T1025 PolarHBondContact O-N 3.2Å; T1025-N1027 VanDerWaalsContact C-N 3.26Å; T1025-N1027 PolarHBondContact O-N 3.34Å | ||
| 1026 | T | 38.9 | Very low | 56.6 | Low | 115 Ų | 115 | 77.2 Ų | 77.2 | 71% | 0.706 | 46% | 0.455 | S | S | * | . | trans | -55.2 | 53.9 | 169.2 | 54.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1027 | N | 37.7 | Very low | 56.1 | Low | 106.2 Ų | 106.2 | 76 Ų | 76 | 57% | 0.568 | 45% | 0.446 | S | S | * | . | trans | -100.4 | 127.3 | 172.7 | -75.8 | -12 | 0 | 0 | 0 | 110.7 | T1025 H1029 | T1025-N1027 VanDerWaalsContact C-N 3.26Å; T1025-N1027 PolarHBondContact O-N 3.34Å; N1027-H1029 VanDerWaalsContact C-N 3.3Å; N1027-H1029 WeakPolarHBondContact CB-NE2 3.15Å; N1027-H1029 PolarHBondContact O-CD2 3.12Å; N1027-H1029 PolarHBondContact O-N 2.92Å | ||
| 1028 | D | 38.5 | Very low | 55.6 | Low | 135.8 Ų | 135.8 | 78.8 Ų | 78.8 | 73% | 0.726 | 46% | 0.46 | S | S | * | . | trans | -47.5 | 76 | 173.1 | -71.3 | -38 | 0 | 0 | 0 | 112.9 | S1030 N1192 S1193 | D1028-S1030 PolarHBondContact O-N 3.07Å; D1028-N1192 PolarHBondContact OD1-ND2 3.32Å; D1028-N1192 VanDerWaalsContact OD1-ND2 3.17Å; D1028-S1193 VanDerWaalsContact OD1-CB 3.28Å; D1028-S1193 WeakPolarHBondContact OD1-CB 3.11Å; D1028-S1193 PolarHBondContact OD1-OG 3.39Å | ||
| 1029 | H | 42.9 | Very low | 55.4 | Low | 88 Ų | 88 | 77.6 Ų | 77.6 | 41% | 0.407 | 45% | 0.452 | S | S | . | . | trans | -97.2 | 58.3 | 175.7 | -69 | -43.8 | 0 | 0 | 0 | 110.8 | N1027 A1031 V1032 Y1037 | N1027-H1029 VanDerWaalsContact C-N 3.3Å; N1027-H1029 WeakPolarHBondContact CB-NE2 3.15Å; N1027-H1029 PolarHBondContact O-CD2 3.12Å; N1027-H1029 PolarHBondContact O-N 2.92Å; H1029-A1031 WeakPolarHBondContact CB-O 3.45Å; H1029-A1031 PolarHBondContact O-N 3.08Å; H1029-A1031 VanDerWaalsContact O-N 3.15Å; H1029-V1032 HydrophobicContact CB-CG2 4.07Å; H1029-Y1037 VanDerWaalsContact O-CE2 3.27Å; H1029-Y1037 WeakPolarHBondContact O-CE2 3.3Å; H1029-Y1037 PolarHBondContact O-OH 3.17Å | ||
| 1030 | S | 44.8 | Very low | 55.3 | Low | 97 Ų | 97 | 76.6 Ų | 76.6 | 68% | 0.678 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -54.8 | -16.1 | 163.6 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | D1028 Y1037 | D1028-S1030 PolarHBondContact O-N 3.07Å; S1030-Y1037 WeakPolarHBondContact O-CD2 3.44Å; S1030-Y1037 VanDerWaalsContact O-CE2 3.3Å; S1030-Y1037 WeakPolarHBondContact O-CE2 3.37Å |
| 1031 | A | 43.3 | Very low | 55.7 | Low | 32.2 Ų | 32.2 | 77.4 Ų | 77.4 | 27% | 0.266 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 108.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | H1029 N1033 G1034 I1035 | H1029-A1031 WeakPolarHBondContact CB-O 3.45Å; H1029-A1031 PolarHBondContact O-N 3.08Å; H1029-A1031 VanDerWaalsContact O-N 3.15Å; A1031-N1033 PolarHBondContact O-N 3.08Å; A1031-G1034 PolarHBondContact O-N 3.03Å; A1031-G1034 VanDerWaalsContact O-N 3.14Å; A1031-I1035 VanDerWaalsContact CA-O 3.23Å; A1031-I1035 WeakPolarHBondContact CA-O 3.42Å; A1031-I1035 WeakPolarHBondContact CB-O 3.33Å |
| 1032 | V | 47.6 | Very low | 56.3 | Low | 47 Ų | 47 | 76.8 Ų | 76.8 | 29% | 0.285 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.2 | 160.6 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | H1029 G1034 I1035 Y1037 Q1040 | H1029-V1032 HydrophobicContact CB-CG2 4.07Å; V1032-G1034 PolarHBondContact O-N 3.13Å; V1032-G1034 VanDerWaalsContact O-N 3.12Å; V1032-I1035 PolarHBondContact O-N 3.03Å; V1032-Y1037 HydrophobicContact CG2-CE1 4.22Å; V1032-Q1040 PolarHBondContact O-NE2 3.2Å |
| 1033 | N | 50.3 | Low | 57.2 | Low | 123.4 Ų | 123.4 | 72.5 Ų | 72.5 | 66% | 0.66 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 24.3 | -175.5 | -62.9 | -27.9 | 0 | 0 | 0 | 116.3 | A1031 I1035 | A1031-N1033 PolarHBondContact O-N 3.08Å; N1033-I1035 VanDerWaalsContact C-N 3.3Å; N1033-I1035 HydrophobicContact CB-CD1 4.5Å; N1033-I1035 PolarHBondContact O-N 3.31Å |
| 1034 | G | 53.6 | Low | 58.4 | Low | 64.8 Ų | 64.8 | 69.5 Ų | 69.5 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 13.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1031 V1032 | A1031-G1034 PolarHBondContact O-N 3.03Å; A1031-G1034 VanDerWaalsContact O-N 3.14Å; V1032-G1034 PolarHBondContact O-N 3.13Å; V1032-G1034 VanDerWaalsContact O-N 3.12Å |
| 1035 | I | 62.4 | Low | 60.1 | Low | 45.2 Ų | 45.2 | 63.7 Ų | 63.7 | 23% | 0.232 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133 | 178.6 | -57.7 | 167 | 0 | 0 | 0 | 109.6 | A1031 V1032 N1033 E1039 Q1040 | A1031-I1035 VanDerWaalsContact CA-O 3.23Å; A1031-I1035 WeakPolarHBondContact CA-O 3.42Å; A1031-I1035 WeakPolarHBondContact CB-O 3.33Å; V1032-I1035 PolarHBondContact O-N 3.03Å; N1033-I1035 VanDerWaalsContact C-N 3.3Å; N1033-I1035 HydrophobicContact CB-CD1 4.5Å; N1033-I1035 PolarHBondContact O-N 3.31Å; I1035-E1039 HydrophobicContact CG2-CB 3.69Å; I1035-E1039 HydrophobicContact CG2-CG 3.48Å; I1035-E1039 VanDerWaalsContact CG2-CG 3.47Å; I1035-Q1040 HydrophobicContact CB-CG 4.08Å; I1035-Q1040 HydrophobicContact CG2-CG 3.79Å; I1035-Q1040 PolarHBondContact O-NE2 3.32Å |
| 1036 | N | 68.1 | Low | 62.2 | Low | 84 Ų | 84 | 59.4 Ų | 59.4 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 142.8 | 176.1 | -162.9 | -1 | 0 | 0 | 0 | 111.8 | I1038 E1039 Q1040 | N1036-I1038 VanDerWaalsContact C-N 3.26Å; N1036-I1038 PolarHBondContact O-N 3.17Å; N1036-I1038 VanDerWaalsContact O-N 3.14Å; N1036-I1038 PolarHBondContact OD1-N 3.08Å; N1036-E1039 WeakPolarHBondContact O-CB 3.26Å; N1036-E1039 PolarHBondContact O-N 3.28Å; N1036-Q1040 PolarHBondContact O-N 3.13Å |
| 1037 | Y | 67.8 | Low | 64.6 | Low | 38 Ų | 38 | 54 Ų | 54 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -48.4 | -40.7 | 174.9 | -74.1 | -72.6 | 0 | 0 | 0 | 114.1 | H1029 S1030 V1032 E1039 Q1040 R1041 S1197 L1200 L1201 | H1029-Y1037 VanDerWaalsContact O-CE2 3.27Å; H1029-Y1037 WeakPolarHBondContact O-CE2 3.3Å; H1029-Y1037 PolarHBondContact O-OH 3.17Å; S1030-Y1037 WeakPolarHBondContact O-CD2 3.44Å; S1030-Y1037 VanDerWaalsContact O-CE2 3.3Å; S1030-Y1037 WeakPolarHBondContact O-CE2 3.37Å; V1032-Y1037 HydrophobicContact CG2-CE1 4.22Å; Y1037-E1039 VanDerWaalsContact C-N 3.31Å; Y1037-E1039 PolarHBondContact O-N 3.25Å; Y1037-Q1040 PolarHBondContact O-N 3.1Å; Y1037-R1041 VanDerWaalsContact O-CB 3.3Å; Y1037-R1041 WeakPolarHBondContact O-CB 3.29Å; Y1037-R1041 PolarHBondContact O-N 3.07Å; Y1037-S1197 WeakPolarHBondContact CE1-O 3.28Å; Y1037-S1197 VanDerWaalsContact OH-CB 3.26Å; Y1037-S1197 WeakPolarHBondContact OH-CB 3.37Å; Y1037-S1197 PolarHBondContact OH-OG 3.08Å; Y1037-L1200 HydrophobicContact CD1-CB 4.36Å; Y1037-L1201 HydrophobicContact CD1-CD1 4.08Å; Y1037-L1201 HydrophobicContact CD1-CD2 3.88Å; Y1037-L1201 HydrophobicContact CD1-CG 3.94Å; Y1037-L1201 HydrophobicContact CE1-CD1 4.16Å; Y1037-L1201 HydrophobicContact CE1-CD2 4.28Å; Y1037-L1201 HydrophobicContact CE1-CG 4.32Å |
| 1038 | I | 69.5 | Low | 66.9 | Low | 75 Ų | 75 | 49 Ų | 49 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 178.5 | -62.3 | 173.3 | 0 | 0 | 0 | 110.8 | Y826 N1036 R1041 N1042 | Y826-I1038 HydrophobicContact CD2-CG2 4.39Å; Y826-I1038 HydrophobicContact CE1-CG2 3.99Å; Y826-I1038 HydrophobicContact CE2-CG2 4.22Å; N1036-I1038 VanDerWaalsContact C-N 3.26Å; N1036-I1038 PolarHBondContact O-N 3.17Å; N1036-I1038 VanDerWaalsContact O-N 3.14Å; N1036-I1038 PolarHBondContact OD1-N 3.08Å; I1038-R1041 PolarHBondContact O-N 3.22Å; I1038-N1042 VanDerWaalsContact O-CB 3.31Å; I1038-N1042 WeakPolarHBondContact O-CB 3.36Å; I1038-N1042 VanDerWaalsContact O-CG 3.28Å; I1038-N1042 PolarHBondContact O-N 3.23Å; I1038-N1042 PolarHBondContact O-ND2 3.11Å; I1038-N1042 PolarHBondContact O-OD1 3.32Å |
| 1039 | E | 73.1 | Confident | 69.1 | Low | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.2 | -39.5 | 179.8 | 175.9 | 56.6 | -160.5 | 0 | 0 | 111.3 | Y826 V901 N902 A903 I1035 N1036 Y1037 R1041 N1042 R1043 | Y826-E1039 HydrophobicContact CE1-CB 4.28Å; Y826-E1039 VanDerWaalsContact CE1-OE2 3.27Å; Y826-E1039 WeakPolarHBondContact CE1-OE2 3.31Å; V901-E1039 VanDerWaalsContact O-CD 3.25Å; N902-E1039 WeakPolarHBondContact CA-OE2 3.17Å; N902-E1039 WeakPolarHBondContact CB-OE2 3.3Å; A903-E1039 WeakPolarHBondContact CB-OE1 3.27Å; A903-E1039 WeakPolarHBondContact CB-OE2 3.49Å; A903-E1039 VanDerWaalsContact N-CD 3.3Å; A903-E1039 PolarHBondContact N-OE1 3.11Å; A903-E1039 VanDerWaalsContact N-OE1 3.11Å; A903-E1039 PolarHBondContact N-OE2 3.17Å; I1035-E1039 HydrophobicContact CG2-CB 3.69Å; I1035-E1039 HydrophobicContact CG2-CG 3.48Å; I1035-E1039 VanDerWaalsContact CG2-CG 3.47Å; N1036-E1039 WeakPolarHBondContact O-CB 3.26Å; N1036-E1039 PolarHBondContact O-N 3.28Å; Y1037-E1039 VanDerWaalsContact C-N 3.31Å; Y1037-E1039 PolarHBondContact O-N 3.25Å; E1039-R1041 VanDerWaalsContact C-N 3.33Å; E1039-R1041 PolarHBondContact O-N 3.27Å; E1039-N1042 PolarHBondContact O-N 3.21Å; E1039-R1043 VanDerWaalsContact O-CB 3.32Å; E1039-R1043 WeakPolarHBondContact O-CB 3.34Å; E1039-R1043 VanDerWaalsContact O-CG 3.3Å; E1039-R1043 WeakPolarHBondContact O-CG 3.34Å; E1039-R1043 PolarHBondContact O-N 3.12Å; E1039-R1043 WeakPolarHBondContact OE1-CG 3.46Å; E1039-R1043 IonicContact OE1-CZ 3.12Å; E1039-R1043 IonicContact OE1-NE 3.44Å; E1039-R1043 PolarHBondContact OE1-NE 3.22Å; E1039-R1043 IonicContact OE1-NH2 2.93Å; E1039-R1043 PolarHBondContact OE1-NH2 3.14Å |
| 1040 | Q | 74.4 | Confident | 71.3 | Confident | 41.4 Ų | 41.4 | 38.5 Ų | 38.5 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 173 | -64.3 | -169.8 | 4.7 | 0 | 0 | 111.9 | V1032 I1035 N1036 Y1037 N1042 R1043 F1044 L1201 | V1032-Q1040 PolarHBondContact O-NE2 3.2Å; I1035-Q1040 HydrophobicContact CB-CG 4.08Å; I1035-Q1040 HydrophobicContact CG2-CG 3.79Å; I1035-Q1040 PolarHBondContact O-NE2 3.32Å; N1036-Q1040 PolarHBondContact O-N 3.13Å; Y1037-Q1040 PolarHBondContact O-N 3.1Å; Q1040-N1042 VanDerWaalsContact C-N 3.32Å; Q1040-N1042 PolarHBondContact O-N 2.96Å; Q1040-R1043 PolarHBondContact O-N 3.04Å; Q1040-F1044 WeakPolarHBondContact O-CB 3.3Å; Q1040-F1044 PolarHBondContact O-N 3.15Å; Q1040-L1201 HydrophobicContact CB-CD2 4.09Å; Q1040-L1201 VanDerWaalsContact OE1-CD2 3.26Å |
| 1041 | R | 77.8 | Confident | 73.4 | Confident | 66.2 Ų | 66.2 | 33.8 Ų | 33.8 | 25% | 0.25 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 174.8 | 174.6 | 174.2 | 131.6 | -173.6 | 4.7 | 111.3 | Y1037 I1038 E1039 F1044 T1045 L1200 L1201 N1203 Q1206 | Y1037-R1041 VanDerWaalsContact O-CB 3.3Å; Y1037-R1041 WeakPolarHBondContact O-CB 3.29Å; Y1037-R1041 PolarHBondContact O-N 3.07Å; I1038-R1041 PolarHBondContact O-N 3.22Å; E1039-R1041 VanDerWaalsContact C-N 3.33Å; E1039-R1041 PolarHBondContact O-N 3.27Å; R1041-F1044 PolarHBondContact O-N 3.05Å; R1041-T1045 WeakPolarHBondContact O-CB 3.32Å; R1041-T1045 PolarHBondContact O-N 3.24Å; R1041-T1045 PolarHBondContact O-OG1 2.96Å; R1041-L1200 VanDerWaalsContact CD-O 3.23Å; R1041-L1200 WeakPolarHBondContact CD-O 3.33Å; R1041-L1200 PolarHBondContact NH1-O 2.73Å; R1041-L1201 WeakPolarHBondContact CB-O 3.48Å; R1041-L1201 WeakPolarHBondContact CG-O 3.41Å; R1041-N1203 VanDerWaalsContact NH2-CG 3.28Å; R1041-N1203 PolarHBondContact NH2-ND2 2.91Å; R1041-N1203 PolarHBondContact NH2-OD1 2.99Å; R1041-Q1206 PolarHBondContact O-NE2 3.25Å |
| 1042 | N | 79.3 | Confident | 75.5 | Confident | 15.4 Ų | 15.4 | 32.4 Ų | 32.4 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 179.8 | -73.1 | -13.6 | 0 | 0 | 0 | 111.6 | Q713 Y826 A903 P905 I1038 E1039 Q1040 F1044 T1045 S1046 | Q713-N1042 PolarHBondContact NE2-ND2 3.08Å; Y826-N1042 WeakPolarHBondContact CD1-ND2 3.27Å; A903-N1042 HydrophobicContact CB-CB 3.83Å; A903-N1042 WeakPolarHBondContact O-CB 3.31Å; A903-N1042 PolarHBondContact O-ND2 3.2Å; P905-N1042 HydrophobicContact CG-CB 4.09Å; I1038-N1042 VanDerWaalsContact O-CB 3.31Å; I1038-N1042 WeakPolarHBondContact O-CB 3.36Å; I1038-N1042 VanDerWaalsContact O-CG 3.28Å; I1038-N1042 PolarHBondContact O-N 3.23Å; I1038-N1042 PolarHBondContact O-ND2 3.11Å; I1038-N1042 PolarHBondContact O-OD1 3.32Å; E1039-N1042 PolarHBondContact O-N 3.21Å; Q1040-N1042 VanDerWaalsContact C-N 3.32Å; Q1040-N1042 PolarHBondContact O-N 2.96Å; N1042-F1044 PolarHBondContact O-N 2.85Å; N1042-T1045 PolarHBondContact O-N 2.98Å; N1042-S1046 WeakPolarHBondContact O-CB 3.37Å; N1042-S1046 PolarHBondContact O-N 3.27Å; N1042-S1046 PolarHBondContact O-OG 3.27Å; N1042-S1046 VanDerWaalsContact O-OG 3.05Å |
| 1043 | R | 83 | Confident | 77.2 | Confident | 48 Ų | 48 | 30.4 Ų | 30.4 | 18% | 0.181 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 172.9 | -88.1 | 177.6 | -173.4 | -172 | 1.8 | 112 | T876 G877 V901 A903 E1009 E1039 Q1040 T1045 S1046 L1047 | T876-R1043 WeakPolarHBondContact O-CD 3.3Å; T876-R1043 WeakPolarHBondContact O-CG 3.13Å; T876-R1043 PolarHBondContact O-NE 2.79Å; G877-R1043 VanDerWaalsContact O-CZ 3.23Å; G877-R1043 PolarHBondContact O-NH1 3.48Å; G877-R1043 PolarHBondContact O-NH2 3.35Å; V901-R1043 PolarHBondContact O-NH2 3.21Å; A903-R1043 HydrophobicContact CB-CB 4.28Å; A903-R1043 HydrophobicContact CB-CG 3.53Å; A903-R1043 VanDerWaalsContact CB-CG 3.5Å; E1009-R1043 IonicContact OE2-CZ 3.22Å; E1009-R1043 IonicContact OE2-NE 2.83Å; E1009-R1043 IonicContact OE2-NH2 2.68Å; E1009-R1043 PolarHBondContact OE2-NH2 2.84Å; E1039-R1043 VanDerWaalsContact O-CB 3.32Å; E1039-R1043 WeakPolarHBondContact O-CB 3.34Å; E1039-R1043 VanDerWaalsContact O-CG 3.3Å; E1039-R1043 WeakPolarHBondContact O-CG 3.34Å; E1039-R1043 PolarHBondContact O-N 3.12Å; E1039-R1043 WeakPolarHBondContact OE1-CG 3.46Å; E1039-R1043 IonicContact OE1-CZ 3.12Å; E1039-R1043 IonicContact OE1-NE 3.44Å; E1039-R1043 PolarHBondContact OE1-NE 3.22Å; E1039-R1043 IonicContact OE1-NH2 2.93Å; E1039-R1043 PolarHBondContact OE1-NH2 3.14Å; Q1040-R1043 PolarHBondContact O-N 3.04Å; R1043-T1045 VanDerWaalsContact C-N 3.3Å; R1043-T1045 PolarHBondContact O-N 3.23Å; R1043-S1046 WeakPolarHBondContact CA-OG 3.4Å; R1043-S1046 PolarHBondContact O-N 3.04Å; R1043-S1046 VanDerWaalsContact O-N 3.13Å; R1043-S1046 PolarHBondContact O-OG 3.17Å; R1043-L1047 HydrophobicContact CG-CD1 4.06Å; R1043-L1047 WeakPolarHBondContact O-CB 3.12Å; R1043-L1047 VanDerWaalsContact O-CG 3.29Å; R1043-L1047 WeakPolarHBondContact O-CG 3.37Å; R1043-L1047 PolarHBondContact O-N 3.09Å |
| 1044 | F | 85.1 | Confident | 79 | Confident | 12 Ų | 12 | 24.6 Ų | 24.6 | 5% | 0.053 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.6 | -38.7 | 178 | -173.6 | -135 | 0 | 0 | 0 | 111.9 | L1010 I1013 Q1040 R1041 N1042 S1046 L1047 T1048 L1140 I1144 F1202 Q1206 L1210 | L1010-F1044 HydrophobicContact CD2-CD2 4.19Å; L1010-F1044 HydrophobicContact CD2-CE2 3.92Å; I1013-F1044 HydrophobicContact CD1-CB 4.47Å; I1013-F1044 HydrophobicContact CD1-CD2 3.9Å; I1013-F1044 HydrophobicContact CG2-CD2 3.96Å; I1013-F1044 HydrophobicContact CG2-CE2 3.95Å; Q1040-F1044 WeakPolarHBondContact O-CB 3.3Å; Q1040-F1044 PolarHBondContact O-N 3.15Å; R1041-F1044 PolarHBondContact O-N 3.05Å; N1042-F1044 PolarHBondContact O-N 2.85Å; F1044-S1046 PolarHBondContact O-N 3.42Å; F1044-L1047 PolarHBondContact O-N 3.12Å; F1044-T1048 HydrophobicContact CD2-CG2 4.11Å; F1044-T1048 HydrophobicContact CE1-CG2 4.41Å; F1044-T1048 HydrophobicContact CE2-CG2 3.81Å; F1044-T1048 HydrophobicContact CZ-CG2 4.07Å; F1044-T1048 WeakPolarHBondContact O-CB 3.16Å; F1044-T1048 VanDerWaalsContact O-CG2 3.28Å; F1044-T1048 WeakPolarHBondContact O-CG2 3.33Å; F1044-T1048 PolarHBondContact O-N 2.86Å; F1044-T1048 PolarHBondContact O-OG1 3.19Å; F1044-T1048 VanDerWaalsContact O-OG1 3.1Å; F1044-L1140 HydrophobicContact CE2-CD1 4.45Å; F1044-L1140 HydrophobicContact CE2-CD2 4.4Å; F1044-L1140 HydrophobicContact CZ-CD2 4.38Å; F1044-I1144 HydrophobicContact CE1-CD1 4.15Å; F1044-I1144 HydrophobicContact CZ-CD1 4.08Å; F1044-F1202 HydrophobicContact CD1-CD1 4.45Å; F1044-F1202 HydrophobicContact CD1-CE1 4.43Å; F1044-F1202 HydrophobicContact CE1-CD1 4.09Å; F1044-F1202 AromaticContact CE1-CE1 3.96Å; F1044-F1202 HydrophobicContact CE1-CE1 4.01Å; F1044-Q1206 HydrophobicContact CD1-CB 4.37Å; F1044-Q1206 VanDerWaalsContact CD1-CD 3.45Å; F1044-Q1206 HydrophobicContact CD1-CG 3.98Å; F1044-Q1206 VanDerWaalsContact CD1-OE1 3.32Å; F1044-Q1206 HydrophobicContact CE1-CB 4.22Å; F1044-Q1206 HydrophobicContact CE1-CG 4.34Å; F1044-L1210 HydrophobicContact CE1-CD1 4.41Å; F1044-L1210 HydrophobicContact CZ-CD1 3.9Å |
| 1045 | T | 83 | Confident | 80.5 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 173.7 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | M709 P905 R1041 N1042 R1043 L1047 T1048 I1049 V1205 Q1206 | M709-T1045 HydrophobicContact CE-CG2 3.19Å; M709-T1045 HydrophobicContact SD-CG2 4.2Å; P905-T1045 HydrophobicContact CB-CG2 4.08Å; P905-T1045 HydrophobicContact CG-CG2 4.18Å; R1041-T1045 WeakPolarHBondContact O-CB 3.32Å; R1041-T1045 PolarHBondContact O-N 3.24Å; R1041-T1045 PolarHBondContact O-OG1 2.96Å; N1042-T1045 PolarHBondContact O-N 2.98Å; R1043-T1045 VanDerWaalsContact C-N 3.3Å; R1043-T1045 PolarHBondContact O-N 3.23Å; T1045-L1047 VanDerWaalsContact C-N 3.33Å; T1045-L1047 PolarHBondContact O-N 3.01Å; T1045-T1048 WeakPolarHBondContact CA-OG1 3.47Å; T1045-T1048 PolarHBondContact O-N 3.33Å; T1045-T1048 PolarHBondContact O-OG1 3.14Å; T1045-T1048 VanDerWaalsContact O-OG1 3.11Å; T1045-I1049 HydrophobicContact CG2-CD1 3.86Å; T1045-I1049 HydrophobicContact CG2-CG1 4.39Å; T1045-I1049 WeakPolarHBondContact O-CB 3.35Å; T1045-I1049 VanDerWaalsContact O-CG1 3.26Å; T1045-I1049 WeakPolarHBondContact O-CG1 3.29Å; T1045-I1049 PolarHBondContact O-N 3.1Å; T1045-V1205 HydrophobicContact CG2-CB 4.39Å; T1045-V1205 HydrophobicContact CG2-CG1 4.08Å; T1045-Q1206 HydrophobicContact CG2-CG 4.2Å; T1045-Q1206 VanDerWaalsContact OG1-CG 3.24Å; T1045-Q1206 WeakPolarHBondContact OG1-CG 3.33Å; T1045-Q1206 PolarHBondContact OG1-NE2 3.1Å |
| 1046 | S | 85.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 178.3 | 52 | 0 | 0 | 0 | 0 | 112.3 | S875 T876 S908 N1042 R1043 F1044 T1048 I1049 W1050 | S875-S1046 VanDerWaalsContact O-CB 3.25Å; S875-S1046 WeakPolarHBondContact O-CB 3.46Å; S875-S1046 PolarHBondContact O-OG 3.15Å; S875-S1046 VanDerWaalsContact O-OG 3.08Å; T876-S1046 WeakPolarHBondContact CA-OG 3.42Å; T876-S1046 WeakPolarHBondContact CG2-OG 3.39Å; S908-S1046 WeakPolarHBondContact OG-CA 3.36Å; S908-S1046 WeakPolarHBondContact OG-CB 3.34Å; N1042-S1046 WeakPolarHBondContact O-CB 3.37Å; N1042-S1046 PolarHBondContact O-N 3.27Å; N1042-S1046 PolarHBondContact O-OG 3.27Å; N1042-S1046 VanDerWaalsContact O-OG 3.05Å; R1043-S1046 WeakPolarHBondContact CA-OG 3.4Å; R1043-S1046 PolarHBondContact O-N 3.04Å; R1043-S1046 VanDerWaalsContact O-N 3.13Å; R1043-S1046 PolarHBondContact O-OG 3.17Å; F1044-S1046 PolarHBondContact O-N 3.42Å; S1046-T1048 PolarHBondContact O-N 3.31Å; S1046-I1049 PolarHBondContact O-N 3.05Å; S1046-W1050 VanDerWaalsContact O-CD1 3.25Å; S1046-W1050 PolarHBondContact O-N 3.13Å |
| 1047 | L | 88.4 | Confident | 82 | Confident | 2.8 Ų | 2.8 | 16 Ų | 16 | 2% | 0.015 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 177.4 | -71.6 | 167.7 | 0 | 0 | 0 | 112.1 | T876 C878 L879 V880 I1006 E1009 L1010 I1013 R1043 F1044 T1045 I1049 W1050 M1051 | T876-L1047 HydrophobicContact CG2-CD2 3.98Å; T876-L1047 HydrophobicContact CG2-CG 4.2Å; C878-L1047 HydrophobicContact CB-CD2 4.47Å; L879-L1047 HydrophobicContact CD2-CD1 3.79Å; L879-L1047 HydrophobicContact CD2-CD2 4.4Å; L879-L1047 HydrophobicContact CD2-CG 4.45Å; V880-L1047 HydrophobicContact CG2-CD2 3.36Å; I1006-L1047 HydrophobicContact CG1-CD2 4.41Å; I1006-L1047 HydrophobicContact CG2-CD2 4.14Å; E1009-L1047 HydrophobicContact CB-CD1 4.29Å; E1009-L1047 HydrophobicContact CB-CD2 4.25Å; E1009-L1047 HydrophobicContact CG-CD1 3.68Å; E1009-L1047 HydrophobicContact CG-CD2 4.07Å; L1010-L1047 HydrophobicContact CD2-CB 3.87Å; L1010-L1047 HydrophobicContact CD2-CD1 4.27Å; L1010-L1047 HydrophobicContact CG-CB 4.34Å; I1013-L1047 HydrophobicContact CD1-CD1 3.42Å; I1013-L1047 VanDerWaalsContact CD1-CD1 3.45Å; R1043-L1047 HydrophobicContact CG-CD1 4.06Å; R1043-L1047 WeakPolarHBondContact O-CB 3.12Å; R1043-L1047 VanDerWaalsContact O-CG 3.29Å; R1043-L1047 WeakPolarHBondContact O-CG 3.37Å; R1043-L1047 PolarHBondContact O-N 3.09Å; F1044-L1047 PolarHBondContact O-N 3.12Å; T1045-L1047 VanDerWaalsContact C-N 3.33Å; T1045-L1047 PolarHBondContact O-N 3.01Å; L1047-I1049 VanDerWaalsContact C-N 3.33Å; L1047-I1049 PolarHBondContact O-N 3.19Å; L1047-W1050 PolarHBondContact O-N 3.09Å; L1047-M1051 VanDerWaalsContact O-CB 3.32Å; L1047-M1051 WeakPolarHBondContact O-CB 3.31Å; L1047-M1051 PolarHBondContact O-N 2.97Å |
| 1048 | T | 86.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.8 | -34.9 | 177 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | L1010 F1044 T1045 S1046 N1052 Q1206 N1209 L1210 | L1010-T1048 HydrophobicContact CD2-CG2 4.36Å; F1044-T1048 HydrophobicContact CD2-CG2 4.11Å; F1044-T1048 HydrophobicContact CE1-CG2 4.41Å; F1044-T1048 HydrophobicContact CE2-CG2 3.81Å; F1044-T1048 HydrophobicContact CZ-CG2 4.07Å; F1044-T1048 WeakPolarHBondContact O-CB 3.16Å; F1044-T1048 VanDerWaalsContact O-CG2 3.28Å; F1044-T1048 WeakPolarHBondContact O-CG2 3.33Å; F1044-T1048 PolarHBondContact O-N 2.86Å; F1044-T1048 PolarHBondContact O-OG1 3.19Å; F1044-T1048 VanDerWaalsContact O-OG1 3.1Å; T1045-T1048 WeakPolarHBondContact CA-OG1 3.47Å; T1045-T1048 PolarHBondContact O-N 3.33Å; T1045-T1048 PolarHBondContact O-OG1 3.14Å; T1045-T1048 VanDerWaalsContact O-OG1 3.11Å; S1046-T1048 PolarHBondContact O-N 3.31Å; T1048-N1052 VanDerWaalsContact O-CB 3.27Å; T1048-N1052 WeakPolarHBondContact O-CB 3.44Å; T1048-N1052 PolarHBondContact O-N 3.08Å; T1048-Q1206 HydrophobicContact CG2-CB 4.46Å; T1048-N1209 PolarHBondContact OG1-ND2 3.11Å; T1048-L1210 HydrophobicContact CG2-CD1 4.38Å; T1048-L1210 HydrophobicContact CG2-CD2 4.04Å; T1048-L1210 HydrophobicContact CG2-CG 3.95Å |
| 1049 | I | 84.8 | Confident | 83.1 | Confident | 3.2 Ų | 3.2 | 10.9 Ų | 10.9 | 2% | 0.016 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63.2 | -52 | 172.9 | -72.6 | 170.3 | 0 | 0 | 0 | 110.3 | P905 S908 E909 A912 T1045 S1046 L1047 M1051 N1052 H1053 V1205 N1209 | P905-I1049 HydrophobicContact CB-CD1 4Å; P905-I1049 WeakPolarHBondContact O-CD1 3.44Å; S908-I1049 WeakPolarHBondContact OG-CD1 3.36Å; E909-I1049 HydrophobicContact CB-CG2 4.14Å; A912-I1049 HydrophobicContact CB-CG2 4.45Å; T1045-I1049 HydrophobicContact CG2-CD1 3.86Å; T1045-I1049 HydrophobicContact CG2-CG1 4.39Å; T1045-I1049 WeakPolarHBondContact O-CB 3.35Å; T1045-I1049 VanDerWaalsContact O-CG1 3.26Å; T1045-I1049 WeakPolarHBondContact O-CG1 3.29Å; T1045-I1049 PolarHBondContact O-N 3.1Å; S1046-I1049 PolarHBondContact O-N 3.05Å; L1047-I1049 VanDerWaalsContact C-N 3.33Å; L1047-I1049 PolarHBondContact O-N 3.19Å; I1049-M1051 PolarHBondContact O-N 3.17Å; I1049-N1052 PolarHBondContact O-N 3.27Å; I1049-H1053 PolarHBondContact O-CD2 3.13Å; I1049-H1053 VanDerWaalsContact O-CD2 3.23Å; I1049-H1053 PolarHBondContact O-N 3.23Å; I1049-V1205 HydrophobicContact CD1-CG1 4.38Å; I1049-V1205 HydrophobicContact CG1-CG1 4.28Å; I1049-N1209 WeakPolarHBondContact CA-ND2 3.02Å; I1049-N1209 VanDerWaalsContact CG1-ND2 3.3Å; I1049-N1209 WeakPolarHBondContact CG1-ND2 3.37Å |
| 1050 | W | 88.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57.5 | -48.2 | 177.8 | -87.5 | 104.2 | 0 | 0 | 0 | 112 | C872 S875 T876 S911 A912 L915 F1002 I1006 S1046 L1047 N1052 H1053 L1054 | C872-W1050 HydrophobicContact CB-CH2 3.98Å; C872-W1050 HydrophobicContact CB-CZ2 3.55Å; C872-W1050 VanDerWaalsContact CB-CZ2 3.44Å; S875-W1050 PolarHBondContact OG-NE1 3.24Å; S875-W1050 VanDerWaalsContact OG-NE1 3.13Å; T876-W1050 VanDerWaalsContact CG2-CD1 3.45Å; T876-W1050 HydrophobicContact CG2-CG 4.38Å; S911-W1050 WeakPolarHBondContact OG-CZ2 3.42Å; A912-W1050 VanDerWaalsContact CA-CZ3 3.46Å; A912-W1050 HydrophobicContact CB-CB 4.4Å; A912-W1050 HydrophobicContact CB-CD2 3.53Å; A912-W1050 HydrophobicContact CB-CE3 3.45Å; A912-W1050 VanDerWaalsContact CB-CE3 3.45Å; A912-W1050 HydrophobicContact CB-CG 3.95Å; A912-W1050 HydrophobicContact CB-CH2 4.45Å; A912-W1050 HydrophobicContact CB-CZ2 4.49Å; A912-W1050 HydrophobicContact CB-CZ3 3.95Å; L915-W1050 HydrophobicContact CB-CZ3 4.08Å; L915-W1050 HydrophobicContact CD2-CZ3 3.81Å; F1002-W1050 HydrophobicContact CD1-CH2 4.29Å; F1002-W1050 HydrophobicContact CD1-CZ3 4.29Å; F1002-W1050 HydrophobicContact CE1-CH2 4.38Å; I1006-W1050 HydrophobicContact CD1-CB 3.72Å; I1006-W1050 HydrophobicContact CD1-CD2 4.3Å; I1006-W1050 HydrophobicContact CD1-CE3 4.26Å; I1006-W1050 HydrophobicContact CD1-CG 4.13Å; I1006-W1050 HydrophobicContact CG1-CB 4.46Å; I1006-W1050 HydrophobicContact CG2-CB 4.49Å; S1046-W1050 VanDerWaalsContact O-CD1 3.25Å; S1046-W1050 PolarHBondContact O-N 3.13Å; L1047-W1050 PolarHBondContact O-N 3.09Å; W1050-N1052 VanDerWaalsContact C-N 3.34Å; W1050-N1052 PolarHBondContact O-N 3.14Å; W1050-H1053 PolarHBondContact O-N 2.87Å; W1050-L1054 HydrophobicContact CE3-CD1 4.06Å; W1050-L1054 HydrophobicContact CE3-CD2 4.47Å; W1050-L1054 HydrophobicContact CE3-CG 4.36Å; W1050-L1054 WeakPolarHBondContact O-CB 3.32Å; W1050-L1054 VanDerWaalsContact O-CG 3.28Å; W1050-L1054 WeakPolarHBondContact O-CG 3.38Å; W1050-L1054 PolarHBondContact O-N 3.36Å; W1050-L1054 VanDerWaalsContact O-N 3.11Å |
| 1051 | M | 89.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 177.8 | -175.6 | 65.5 | -179.4 | 0 | 0 | 111.7 | L1003 I1006 M1007 L1010 L1047 I1049 L1054 M1055 A1133 F1213 | L1003-M1051 HydrophobicContact CD1-CE 4.5Å; L1003-M1051 HydrophobicContact CD1-SD 3.56Å; L1003-M1051 VanDerWaalsContact CD1-SD 3.54Å; L1003-M1051 WeakPolarHBondContact CD1-SD 3.29Å; I1006-M1051 HydrophobicContact CG2-CB 4.27Å; M1007-M1051 HydrophobicContact CE-CE 4.06Å; M1007-M1051 HydrophobicContact CE-SD 3.99Å; M1007-M1051 HydrophobicContact CG-CE 3.97Å; M1007-M1051 HydrophobicContact CG-SD 3.87Å; M1007-M1051 HydrophobicContact SD-CE 4.26Å; M1007-M1051 HydrophobicContact SD-SD 4.48Å; L1010-M1051 HydrophobicContact CD1-CB 3.87Å; L1010-M1051 HydrophobicContact CD1-CG 3.88Å; L1010-M1051 HydrophobicContact CD1-SD 4.26Å; L1047-M1051 VanDerWaalsContact O-CB 3.32Å; L1047-M1051 WeakPolarHBondContact O-CB 3.31Å; L1047-M1051 PolarHBondContact O-N 2.97Å; I1049-M1051 PolarHBondContact O-N 3.17Å; M1051-L1054 PolarHBondContact O-N 3.07Å; M1051-M1055 HydrophobicContact CE-CG 3.73Å; M1051-M1055 VanDerWaalsContact CE-CG 3.5Å; M1051-M1055 HydrophobicContact CE-SD 4.11Å; M1051-M1055 HydrophobicContact CG-CG 4.45Å; M1051-M1055 VanDerWaalsContact O-CB 3.3Å; M1051-M1055 WeakPolarHBondContact O-CB 3.21Å; M1051-M1055 VanDerWaalsContact O-CG 3.28Å; M1051-M1055 WeakPolarHBondContact O-CG 3.31Å; M1051-M1055 PolarHBondContact O-N 3.17Å; M1051-M1055 HydrophobicContact SD-CG 4.09Å; M1051-A1133 HydrophobicContact CE-CB 3.66Å; M1051-F1213 HydrophobicContact CB-CD1 4.49Å; M1051-F1213 HydrophobicContact CB-CE1 4.33Å; M1051-F1213 HydrophobicContact CE-CD2 4.36Å; M1051-F1213 HydrophobicContact CE-CE2 4.31Å; M1051-F1213 HydrophobicContact CG-CD1 4.05Å; M1051-F1213 HydrophobicContact CG-CD2 4.48Å; M1051-F1213 HydrophobicContact CG-CE1 3.84Å; M1051-F1213 HydrophobicContact CG-CE2 4.37Å; M1051-F1213 HydrophobicContact CG-CG 4.44Å; M1051-F1213 HydrophobicContact CG-CZ 4.09Å |
| 1052 | N | 86.4 | Confident | 82.9 | Confident | 1.2 Ų | 1.2 | 7.2 Ų | 7.2 | 1% | 0.006 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -61.5 | -52.6 | -179.5 | -170 | 26.7 | 0 | 0 | 0 | 111.3 | T1048 I1049 W1050 L1054 M1055 N1056 N1209 E1212 F1213 | T1048-N1052 VanDerWaalsContact O-CB 3.27Å; T1048-N1052 WeakPolarHBondContact O-CB 3.44Å; T1048-N1052 PolarHBondContact O-N 3.08Å; I1049-N1052 PolarHBondContact O-N 3.27Å; W1050-N1052 VanDerWaalsContact C-N 3.34Å; W1050-N1052 PolarHBondContact O-N 3.14Å; N1052-L1054 VanDerWaalsContact C-N 3.32Å; N1052-L1054 PolarHBondContact O-N 3.23Å; N1052-M1055 PolarHBondContact O-N 3.21Å; N1052-N1056 VanDerWaalsContact O-CB 3.25Å; N1052-N1056 WeakPolarHBondContact O-CB 3.37Å; N1052-N1056 PolarHBondContact O-N 3.07Å; N1052-N1056 PolarHBondContact O-ND2 3.12Å; N1052-N1056 VanDerWaalsContact O-ND2 3.12Å; N1052-N1056 PolarHBondContact O-OD1 3.09Å; N1052-N1056 VanDerWaalsContact O-OD1 3.12Å; N1052-N1056 PolarHBondContact OD1-ND2 3.11Å; N1052-N1056 VanDerWaalsContact OD1-ND2 3.12Å; N1052-N1056 PolarHBondContact OD1-OD1 3.02Å; N1052-N1056 VanDerWaalsContact OD1-OD1 3.05Å; N1052-N1209 HydrophobicContact CB-CB 4Å; N1052-N1209 PolarHBondContact ND2-OD1 3.02Å; N1052-E1212 PolarHBondContact ND2-OE2 3.28Å; N1052-E1212 PolarHBondContact OD1-OE2 3.42Å; N1052-F1213 HydrophobicContact CB-CD1 4.33Å |
| 1053 | H | 84.9 | Confident | 82.6 | Confident | 6.8 Ų | 6.8 | 6.9 Ų | 6.9 | 3% | 0.031 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | -179.3 | -77.5 | -76.4 | 0 | 0 | 0 | 113.2 | A912 S913 A916 I1049 W1050 N1056 S1057 Y1229 | A912-H1053 HydrophobicContact CB-CB 3.89Å; S913-H1053 WeakPolarHBondContact CA-ND1 3.3Å; S913-H1053 WeakPolarHBondContact CB-ND1 3.38Å; A916-H1053 HydrophobicContact CB-CB 4.03Å; A916-H1053 VanDerWaalsContact CB-O 3.25Å; A916-H1053 WeakPolarHBondContact CB-O 3.3Å; I1049-H1053 PolarHBondContact O-CD2 3.13Å; I1049-H1053 VanDerWaalsContact O-CD2 3.23Å; I1049-H1053 PolarHBondContact O-N 3.23Å; W1050-H1053 PolarHBondContact O-N 2.87Å; H1053-N1056 WeakPolarHBondContact O-CB 3.07Å; H1053-N1056 PolarHBondContact O-N 2.91Å; H1053-S1057 PolarHBondContact O-N 3.06Å; H1053-S1057 VanDerWaalsContact O-N 3.09Å; H1053-Y1229 AromaticContact CE1-CD1 3.54Å; H1053-Y1229 AromaticContact CE1-CD2 3.71Å; H1053-Y1229 AromaticContact CE1-CE1 3.49Å; H1053-Y1229 VanDerWaalsContact CE1-CE1 3.41Å; H1053-Y1229 WeakPolarHBondContact CE1-CE1 3.49Å; H1053-Y1229 PolarHBondContact CE1-O 3.11Å; H1053-Y1229 AromaticContact NE2-CD2 3.5Å; H1053-Y1229 AromaticContact NE2-CE1 3.9Å |
| 1054 | L | 87.6 | Confident | 82.1 | Confident | 1.4 Ų | 1.4 | 5.5 Ų | 5.5 | 1% | 0.007 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -69.2 | -43.1 | 178.8 | -64.4 | 178.2 | 0 | 0 | 0 | 111.7 | L915 L919 F1002 L1003 I1006 W1050 M1051 N1052 N1056 S1057 L1058 | L915-L1054 HydrophobicContact CB-CD2 4.13Å; L915-L1054 HydrophobicContact CD2-CD2 3.81Å; L915-L1054 HydrophobicContact CG-CD2 3.82Å; L919-L1054 HydrophobicContact CD1-CD2 3.56Å; L919-L1054 HydrophobicContact CD2-CD2 4.13Å; F1002-L1054 HydrophobicContact CB-CD1 4.27Å; L1003-L1054 HydrophobicContact CB-CD1 4.24Å; L1003-L1054 HydrophobicContact CD1-CB 3.94Å; L1003-L1054 HydrophobicContact CD1-CD1 3.98Å; I1006-L1054 HydrophobicContact CD1-CD1 3.94Å; W1050-L1054 HydrophobicContact CE3-CD1 4.06Å; W1050-L1054 HydrophobicContact CE3-CD2 4.47Å; W1050-L1054 HydrophobicContact CE3-CG 4.36Å; W1050-L1054 WeakPolarHBondContact O-CB 3.32Å; W1050-L1054 VanDerWaalsContact O-CG 3.28Å; W1050-L1054 WeakPolarHBondContact O-CG 3.38Å; W1050-L1054 PolarHBondContact O-N 3.36Å; W1050-L1054 VanDerWaalsContact O-N 3.11Å; M1051-L1054 PolarHBondContact O-N 3.07Å; N1052-L1054 VanDerWaalsContact C-N 3.32Å; N1052-L1054 PolarHBondContact O-N 3.23Å; L1054-N1056 VanDerWaalsContact C-N 3.28Å; L1054-N1056 PolarHBondContact O-N 3.11Å; L1054-S1057 PolarHBondContact O-N 3.25Å; L1054-S1057 PolarHBondContact O-OG 3.07Å; L1054-L1058 WeakPolarHBondContact O-CG 3.42Å; L1054-L1058 PolarHBondContact O-N 3.04Å |
| 1055 | M | 85 | Confident | 81.3 | Confident | 7.2 Ų | 7.2 | 6.8 Ų | 6.8 | 4% | 0.035 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | 174.6 | -72.1 | -56.4 | -57.6 | 0 | 0 | 112 | L1003 M1007 M1051 N1052 S1057 L1058 S1059 L1062 L1129 A1133 F1213 | L1003-M1055 HydrophobicContact CD2-SD 4.03Å; M1007-M1055 HydrophobicContact CE-SD 4.01Å; M1051-M1055 HydrophobicContact CE-CG 3.73Å; M1051-M1055 VanDerWaalsContact CE-CG 3.5Å; M1051-M1055 HydrophobicContact CE-SD 4.11Å; M1051-M1055 HydrophobicContact CG-CG 4.45Å; M1051-M1055 VanDerWaalsContact O-CB 3.3Å; M1051-M1055 WeakPolarHBondContact O-CB 3.21Å; M1051-M1055 VanDerWaalsContact O-CG 3.28Å; M1051-M1055 WeakPolarHBondContact O-CG 3.31Å; M1051-M1055 PolarHBondContact O-N 3.17Å; M1051-M1055 HydrophobicContact SD-CG 4.09Å; N1052-M1055 PolarHBondContact O-N 3.21Å; M1055-S1057 VanDerWaalsContact C-N 3.33Å; M1055-S1057 PolarHBondContact O-N 3.21Å; M1055-L1058 CarbonylContact O-C 3.59Å; M1055-L1058 PolarHBondContact O-N 3.29Å; M1055-L1058 VanDerWaalsContact O-N 3.16Å; M1055-S1059 WeakPolarHBondContact O-CB 3.32Å; M1055-S1059 PolarHBondContact O-N 3.34Å; M1055-S1059 VanDerWaalsContact O-N 3.16Å; M1055-L1062 HydrophobicContact CE-CD1 3.85Å; M1055-L1129 HydrophobicContact SD-CD2 4.33Å; M1055-L1129 HydrophobicContact SD-CG 4.41Å; M1055-A1133 HydrophobicContact CE-CB 3.51Å; M1055-A1133 VanDerWaalsContact CE-CB 3.48Å; M1055-A1133 HydrophobicContact CG-CB 4.39Å; M1055-A1133 HydrophobicContact SD-CB 3.85Å; M1055-F1213 HydrophobicContact CB-CB 4.22Å; M1055-F1213 HydrophobicContact CG-CB 4.48Å |
| 1056 | N | 81.5 | Confident | 80.2 | Confident | 4.8 Ų | 4.8 | 12.1 Ų | 12.1 | 3% | 0.026 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56.2 | -48 | 175.1 | -73.3 | -15.6 | 0 | 0 | 0 | 110.9 | N1052 H1053 L1054 L1058 S1059 Q1216 M1223 L1230 L1231 | N1052-N1056 VanDerWaalsContact O-CB 3.25Å; N1052-N1056 WeakPolarHBondContact O-CB 3.37Å; N1052-N1056 PolarHBondContact O-N 3.07Å; N1052-N1056 PolarHBondContact O-ND2 3.12Å; N1052-N1056 VanDerWaalsContact O-ND2 3.12Å; N1052-N1056 PolarHBondContact O-OD1 3.09Å; N1052-N1056 VanDerWaalsContact O-OD1 3.12Å; N1052-N1056 PolarHBondContact OD1-ND2 3.11Å; N1052-N1056 VanDerWaalsContact OD1-ND2 3.12Å; N1052-N1056 PolarHBondContact OD1-OD1 3.02Å; N1052-N1056 VanDerWaalsContact OD1-OD1 3.05Å; H1053-N1056 WeakPolarHBondContact O-CB 3.07Å; H1053-N1056 PolarHBondContact O-N 2.91Å; L1054-N1056 VanDerWaalsContact C-N 3.28Å; L1054-N1056 PolarHBondContact O-N 3.11Å; N1056-L1058 VanDerWaalsContact C-N 3.3Å; N1056-L1058 PolarHBondContact O-N 2.96Å; N1056-L1058 VanDerWaalsContact O-N 3.11Å; N1056-S1059 WeakPolarHBondContact O-CB 3.43Å; N1056-S1059 PolarHBondContact O-N 3.07Å; N1056-S1059 VanDerWaalsContact O-N 3.08Å; N1056-S1059 PolarHBondContact O-OG 3.2Å; N1056-Q1216 PolarHBondContact OD1-NE2 3.09Å; N1056-Q1216 PolarHBondContact OD1-OE1 3.03Å; N1056-M1223 HydrophobicContact CB-CE 3.19Å; N1056-M1223 HydrophobicContact CB-CG 3.64Å; N1056-M1223 HydrophobicContact CB-SD 3.61Å; N1056-M1223 WeakPolarHBondContact CB-SD 3.34Å; N1056-M1223 WeakPolarHBondContact O-CB 3.33Å; N1056-M1223 VanDerWaalsContact O-CE 3.28Å; N1056-M1223 WeakPolarHBondContact O-CE 3.32Å; N1056-M1223 VanDerWaalsContact O-CG 3.23Å; N1056-M1223 WeakPolarHBondContact O-CG 3.46Å; N1056-M1223 WeakPolarHBondContact OD1-CE 3.46Å; N1056-L1230 HydrophobicContact CB-CD1 4.33Å; N1056-L1231 HydrophobicContact CB-CD1 4.27Å |
| 1057 | S | 80 | Confident | 78.8 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60 | -33.3 | 179.4 | 68 | 0 | 0 | 0 | 0 | 114.4 | A916 L919 H920 H1053 L1054 M1055 | A916-S1057 WeakPolarHBondContact O-CB 3.34Å; L919-S1057 WeakPolarHBondContact CD2-OG 3.49Å; H920-S1057 PolarHBondContact ND1-O 3.17Å; H920-S1057 VanDerWaalsContact ND1-O 3.15Å; H1053-S1057 PolarHBondContact O-N 3.06Å; H1053-S1057 VanDerWaalsContact O-N 3.09Å; L1054-S1057 PolarHBondContact O-N 3.25Å; L1054-S1057 PolarHBondContact O-OG 3.07Å; M1055-S1057 VanDerWaalsContact C-N 3.33Å; M1055-S1057 PolarHBondContact O-N 3.21Å |
| 1058 | L | 82.8 | Confident | 76.9 | Confident | 0.2 Ų | 0.2 | 21.8 Ų | 21.8 | 0% | 0.001 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -91.7 | -17.7 | -176.4 | -67.2 | 174.9 | 0 | 0 | 0 | 113.1 | L919 T923 V999 L1003 L1054 M1055 N1056 D1060 A1061 L1062 F1117 L1129 | L919-L1058 HydrophobicContact CB-CD2 4.34Å; L919-L1058 HydrophobicContact CD1-CD2 4.04Å; L919-L1058 HydrophobicContact CD2-CD1 4.05Å; L919-L1058 HydrophobicContact CD2-CD2 3.87Å; L919-L1058 HydrophobicContact CD2-CG 3.82Å; L919-L1058 HydrophobicContact CG-CD2 3.75Å; L919-L1058 HydrophobicContact CG-CG 4.18Å; T923-L1058 HydrophobicContact CG2-CD2 4.07Å; V999-L1058 HydrophobicContact CG1-CD1 4.49Å; V999-L1058 HydrophobicContact CG2-CD1 3.84Å; V999-L1058 HydrophobicContact CG2-CD2 4.42Å; L1003-L1058 HydrophobicContact CD2-CD1 4.21Å; L1054-L1058 WeakPolarHBondContact O-CG 3.42Å; L1054-L1058 PolarHBondContact O-N 3.04Å; M1055-L1058 CarbonylContact O-C 3.59Å; M1055-L1058 PolarHBondContact O-N 3.29Å; M1055-L1058 VanDerWaalsContact O-N 3.16Å; N1056-L1058 VanDerWaalsContact C-N 3.3Å; N1056-L1058 PolarHBondContact O-N 2.96Å; N1056-L1058 VanDerWaalsContact O-N 3.11Å; L1058-D1060 PolarHBondContact O-N 3.1Å; L1058-D1060 VanDerWaalsContact O-N 3.09Å; L1058-A1061 CarbonylContact O-C 3.58Å; L1058-A1061 WeakPolarHBondContact O-CA 3.35Å; L1058-A1061 WeakPolarHBondContact O-CB 3.48Å; L1058-A1061 PolarHBondContact O-N 3.13Å; L1058-L1062 HydrophobicContact CB-CD1 3.66Å; L1058-L1062 VanDerWaalsContact CB-CD1 3.48Å; L1058-L1062 HydrophobicContact CB-CD2 4.39Å; L1058-L1062 HydrophobicContact CB-CG 3.87Å; L1058-L1062 WeakPolarHBondContact O-CB 3.04Å; L1058-L1062 VanDerWaalsContact O-CG 3.25Å; L1058-L1062 WeakPolarHBondContact O-CG 3.29Å; L1058-L1062 PolarHBondContact O-N 2.92Å; L1058-F1117 HydrophobicContact CD2-CD1 4.44Å; L1058-F1117 HydrophobicContact CD2-CE1 4.38Å; L1058-F1117 HydrophobicContact CD2-CE2 3.82Å; L1058-F1117 HydrophobicContact CD2-CZ 4.04Å; L1058-L1129 HydrophobicContact CD1-CD2 3.81Å |
| 1059 | S | 77.8 | Confident | 74.8 | Confident | 7.2 Ų | 7.2 | 26.7 Ų | 26.7 | 5% | 0.05 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -49.3 | -41.3 | -175.6 | 62.1 | 0 | 0 | 0 | 0 | 113 | M1055 N1056 A1061 L1062 A1063 R1130 M1223 | M1055-S1059 WeakPolarHBondContact O-CB 3.32Å; M1055-S1059 PolarHBondContact O-N 3.34Å; M1055-S1059 VanDerWaalsContact O-N 3.16Å; N1056-S1059 WeakPolarHBondContact O-CB 3.43Å; N1056-S1059 PolarHBondContact O-N 3.07Å; N1056-S1059 VanDerWaalsContact O-N 3.08Å; N1056-S1059 PolarHBondContact O-OG 3.2Å; S1059-A1061 VanDerWaalsContact C-N 3.33Å; S1059-A1061 PolarHBondContact O-N 3.23Å; S1059-L1062 PolarHBondContact O-N 2.89Å; S1059-A1063 PolarHBondContact O-N 2.76Å; S1059-R1130 PolarHBondContact O-NH2 3.04Å; S1059-M1223 WeakPolarHBondContact OG-CA 3.22Å; S1059-M1223 WeakPolarHBondContact OG-CB 3.42Å; S1059-M1223 WeakPolarHBondContact OG-CG 3.41Å; S1059-M1223 PolarHBondContact OG-N 3.17Å; S1059-M1223 VanDerWaalsContact OG-N 3.11Å |
| 1060 | D | 72.9 | Confident | 72.8 | Confident | 23.8 Ų | 23.8 | 31.5 Ų | 31.5 | 13% | 0.127 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -33.7 | 176.7 | -95.1 | 22.8 | 0 | 0 | 0 | 114.5 | H920 L1058 W1083 P1222 M1223 K1320 | H920-D1060 IonicContact CE1-OD2 3.41Å; H920-D1060 PolarHBondContact CE1-OD2 3.38Å; H920-D1060 VanDerWaalsContact CE1-OD2 3.31Å; L1058-D1060 PolarHBondContact O-N 3.1Å; L1058-D1060 VanDerWaalsContact O-N 3.09Å; D1060-W1083 HydrophobicContact CB-CH2 4.16Å; D1060-P1222 VanDerWaalsContact OD1-CA 3.31Å; D1060-P1222 WeakPolarHBondContact OD1-CA 3.31Å; D1060-P1222 VanDerWaalsContact OD1-CB 3.23Å; D1060-P1222 WeakPolarHBondContact OD1-CB 3.32Å; D1060-M1223 PolarHBondContact OD1-N 2.97Å; D1060-K1320 VanDerWaalsContact C-NZ 3.34Å; D1060-K1320 VanDerWaalsContact CB-NZ 3.32Å; D1060-K1320 WeakPolarHBondContact O-CE 3.3Å; D1060-K1320 PolarHBondContact O-NZ 3.21Å; D1060-K1320 VanDerWaalsContact O-NZ 3.13Å; D1060-K1320 IonicContact OD1-NZ 3.99Å; D1060-K1320 WeakPolarHBondContact OD2-CE 3.48Å; D1060-K1320 IonicContact OD2-NZ 3.49Å; D1060-K1320 PolarHBondContact OD2-NZ 3.11Å |
| 1061 | A | 73.8 | Confident | 70.6 | Confident | 8.4 Ų | 8.4 | 35.8 Ų | 35.8 | 7% | 0.069 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -23.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T923 L1058 S1059 I1114 Y1116 F1117 | T923-A1061 VanDerWaalsContact O-CB 3.25Å; T923-A1061 WeakPolarHBondContact O-CB 3.36Å; L1058-A1061 CarbonylContact O-C 3.58Å; L1058-A1061 WeakPolarHBondContact O-CA 3.35Å; L1058-A1061 WeakPolarHBondContact O-CB 3.48Å; L1058-A1061 PolarHBondContact O-N 3.13Å; S1059-A1061 VanDerWaalsContact C-N 3.33Å; S1059-A1061 PolarHBondContact O-N 3.23Å; A1061-I1114 HydrophobicContact CB-CG2 4.03Å; A1061-Y1116 CarbonylContact O-C 3.58Å; A1061-Y1116 WeakPolarHBondContact O-CA 3.4Å; A1061-F1117 HydrophobicContact CB-CB 3.97Å; A1061-F1117 WeakPolarHBondContact O-CB 3.29Å; A1061-F1117 PolarHBondContact O-N 3.2Å |
| 1062 | L | 75.7 | Confident | 68.3 | Low | 5.8 Ų | 5.8 | 42.6 Ų | 42.6 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -64.8 | 134.9 | -176.6 | -78.1 | 168.2 | 0 | 0 | 0 | 112.8 | M1055 L1058 S1059 P1064 Y1116 F1117 L1129 R1130 | M1055-L1062 HydrophobicContact CE-CD1 3.85Å; L1058-L1062 HydrophobicContact CB-CD1 3.66Å; L1058-L1062 VanDerWaalsContact CB-CD1 3.48Å; L1058-L1062 HydrophobicContact CB-CD2 4.39Å; L1058-L1062 HydrophobicContact CB-CG 3.87Å; L1058-L1062 WeakPolarHBondContact O-CB 3.04Å; L1058-L1062 VanDerWaalsContact O-CG 3.25Å; L1058-L1062 WeakPolarHBondContact O-CG 3.29Å; L1058-L1062 PolarHBondContact O-N 2.92Å; S1059-L1062 PolarHBondContact O-N 2.89Å; L1062-P1064 WeakPolarHBondContact O-CD 3.38Å; L1062-P1064 VanDerWaalsContact O-N 3.14Å; L1062-Y1116 WeakPolarHBondContact O-CD1 3.42Å; L1062-F1117 HydrophobicContact CD2-CD1 4.08Å; L1062-F1117 HydrophobicContact CD2-CD2 4.15Å; L1062-L1129 HydrophobicContact CD1-CD2 4.34Å; L1062-L1129 HydrophobicContact CD2-CB 4.03Å; L1062-L1129 HydrophobicContact CD2-CD2 3.77Å; L1062-L1129 HydrophobicContact CD2-CG 4.43Å; L1062-R1130 HydrophobicContact CD1-CB 4.45Å; L1062-R1130 PolarHBondContact O-NH2 3.04Å; L1062-R1130 VanDerWaalsContact O-NH2 3.16Å |
| 1063 | A | 72.8 | Confident | 66.2 | Low | 10.2 Ų | 10.2 | 48.8 Ų | 48.8 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 131.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1059 R1065 Y1116 F1117 Y1118 E1128 R1130 | S1059-A1063 PolarHBondContact O-N 2.76Å; A1063-R1065 PolarHBondContact O-N 2.95Å; A1063-Y1116 HydrophobicContact CB-CG 4.4Å; A1063-F1117 PolarHBondContact N-O 3.06Å; A1063-Y1118 HydrophobicContact CB-CD1 3.87Å; A1063-Y1118 HydrophobicContact CB-CE1 3.75Å; A1063-Y1118 HydrophobicContact CB-CG 4.41Å; A1063-E1128 VanDerWaalsContact CB-CD 3.49Å; A1063-E1128 WeakPolarHBondContact CB-OE1 3.31Å; A1063-E1128 VanDerWaalsContact CB-OE2 3.26Å; A1063-E1128 WeakPolarHBondContact CB-OE2 3.44Å; A1063-R1130 PolarHBondContact O-NE 3.31Å |
| 1064 | P | 70.9 | Confident | 64.2 | Low | 18.6 Ų | 18.6 | 50.6 Ų | 50.6 | 12% | 0.121 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 137.4 | -177.4 | 28.9 | -32.3 | 0 | 0 | 0 | 110.9 | L1062 I1066 Y1116 N1220 L1324 H1327 | L1062-P1064 WeakPolarHBondContact O-CD 3.38Å; L1062-P1064 VanDerWaalsContact O-N 3.14Å; P1064-I1066 PolarHBondContact O-N 3.24Å; P1064-Y1116 VanDerWaalsContact CD-CE2 3.49Å; P1064-Y1116 VanDerWaalsContact CD-CZ 3.48Å; P1064-Y1116 HydrophobicContact CG-CD2 4.32Å; P1064-Y1116 HydrophobicContact CG-CE1 4.31Å; P1064-Y1116 HydrophobicContact CG-CE2 3.98Å; P1064-N1220 HydrophobicContact CB-CB 4.43Å; P1064-N1220 WeakPolarHBondContact CB-ND2 3.3Å; P1064-L1324 HydrophobicContact CB-CD2 4.3Å; P1064-L1324 WeakPolarHBondContact CB-O 3.15Å; P1064-H1327 HydrophobicContact CB-CB 4.18Å; P1064-H1327 HydrophobicContact CG-CB 4.21Å; P1064-H1327 WeakPolarHBondContact CG-CD2 3.35Å; P1064-H1327 VanDerWaalsContact CG-NE2 3.33Å; P1064-H1327 WeakPolarHBondContact CG-NE2 3.33Å |
| 1065 | R | 69.2 | Low | 61.9 | Low | 38.8 Ų | 38.8 | 59.1 Ų | 59.1 | 15% | 0.146 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 128.2 | 166.7 | -64.8 | 176.1 | 82.5 | -147.5 | 1.2 | 108.8 | Y925 A1063 K1067 F1080 R1130 E1131 L1134 A1217 L1218 N1220 H1327 L1328 E1355 | Y925-R1065 PolarHBondContact OH-NH1 3.32Å; Y925-R1065 PolarHBondContact OH-NH2 2.88Å; Y925-R1065 VanDerWaalsContact OH-NH2 3.15Å; A1063-R1065 PolarHBondContact O-N 2.95Å; R1065-K1067 PolarHBondContact O-N 3.47Å; R1065-K1067 VanDerWaalsContact O-N 3.14Å; R1065-F1080 HydrophobicContact CG-CZ 4.49Å; R1065-R1130 HydrophobicContact CG-CB 4.24Å; R1065-R1130 HydrophobicContact CG-CG 3.96Å; R1065-E1131 IonicContact CZ-OE2 3.05Å; R1065-E1131 VanDerWaalsContact CZ-OE2 3.29Å; R1065-E1131 IonicContact NE-OE2 3.28Å; R1065-E1131 PolarHBondContact NE-OE2 3.12Å; R1065-E1131 IonicContact NH2-OE1 2.77Å; R1065-E1131 IonicContact NH2-OE2 3.32Å; R1065-E1131 PolarHBondContact NH2-OE2 3.11Å; R1065-L1134 VanDerWaalsContact NE-CD2 3.34Å; R1065-L1134 VanDerWaalsContact NH1-CD2 3.32Å; R1065-L1134 VanDerWaalsContact NH2-CD2 3.31Å; R1065-A1217 VanDerWaalsContact CD-O 3.23Å; R1065-A1217 WeakPolarHBondContact CD-O 3.38Å; R1065-L1218 PolarHBondContact NH1-O 3.2Å; R1065-L1218 VanDerWaalsContact NH1-O 3.11Å; R1065-N1220 WeakPolarHBondContact CB-OD1 3.38Å; R1065-N1220 WeakPolarHBondContact CG-OD1 3.48Å; R1065-N1220 PolarHBondContact N-ND2 3.23Å; R1065-N1220 PolarHBondContact N-OD1 3.12Å; R1065-N1220 PolarHBondContact O-ND2 3.3Å; R1065-H1327 WeakPolarHBondContact O-CB 3.34Å; R1065-L1328 HydrophobicContact CB-CD2 4.44Å; R1065-E1355 IonicContact CZ-OE2 3.95Å; R1065-E1355 IonicContact NH1-OE2 3.98Å; R1065-E1355 IonicContact NH2-OE2 3.12Å; R1065-E1355 PolarHBondContact NH2-OE2 3.07Å |
| 1066 | I | 60.9 | Low | 59.7 | Low | 114.6 Ų | 114.6 | 61.5 Ų | 61.5 | 59% | 0.588 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 135.4 | 177.5 | -57.1 | 172 | 0 | 0 | 0 | 108.5 | P1064 N1068 I1101 | P1064-I1066 PolarHBondContact O-N 3.24Å; I1066-N1068 PolarHBondContact O-N 3.34Å; I1066-I1101 HydrophobicContact CG2-CD1 3.77Å |
| 1067 | K | 55 | Low | 57.8 | Low | 64.2 Ų | 64.2 | 63.8 Ų | 63.8 | 28% | 0.279 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -60 | 133.4 | 170.9 | -86.3 | 174.4 | 171.7 | 161.9 | 0 | 110.2 | R1065 L1069 Y1116 Y1118 E1128 H1327 L1328 M1329 L1330 | R1065-K1067 PolarHBondContact O-N 3.47Å; R1065-K1067 VanDerWaalsContact O-N 3.14Å; K1067-L1069 VanDerWaalsContact C-N 3.32Å; K1067-L1069 HydrophobicContact CB-CD1 4.08Å; K1067-L1069 HydrophobicContact CB-CG 4Å; K1067-L1069 HydrophobicContact CD-CD1 4.28Å; K1067-L1069 HydrophobicContact CD-CD2 4.29Å; K1067-L1069 HydrophobicContact CD-CG 4.19Å; K1067-L1069 PolarHBondContact O-N 3.16Å; K1067-L1069 VanDerWaalsContact O-N 3.1Å; K1067-Y1116 HydrophobicContact CD-CE1 4.11Å; K1067-Y1116 HydrophobicContact CD-CE2 4.06Å; K1067-Y1116 WeakPolarHBondContact CD-OH 3.44Å; K1067-Y1116 HydrophobicContact CG-CE2 4.3Å; K1067-Y1116 WeakPolarHBondContact CG-OH 3.33Å; K1067-Y1118 PolarHBondContact NZ-OH 2.77Å; K1067-Y1118 VanDerWaalsContact NZ-OH 3.16Å; K1067-E1128 IonicContact NZ-OE1 2.66Å; K1067-E1128 PolarHBondContact NZ-OE1 2.98Å; K1067-H1327 WeakPolarHBondContact CD-O 3.35Å; K1067-H1327 WeakPolarHBondContact CE-O 3.42Å; K1067-H1327 VanDerWaalsContact CG-O 3.25Å; K1067-H1327 WeakPolarHBondContact CG-O 3.45Å; K1067-H1327 PolarHBondContact NZ-O 3.38Å; K1067-L1328 VanDerWaalsContact CE-C 3.48Å; K1067-L1328 WeakPolarHBondContact CE-O 3.27Å; K1067-L1328 HydrophobicContact CG-CD2 4.47Å; K1067-L1328 VanDerWaalsContact NZ-C 3.33Å; K1067-L1328 PolarHBondContact NZ-O 3.22Å; K1067-M1329 PolarHBondContact NZ-O 3.25Å; K1067-M1329 VanDerWaalsContact NZ-O 3.08Å; K1067-L1330 VanDerWaalsContact NZ-CG 3.35Å |
| 1068 | N | 48.6 | Very low | 55.8 | Low | 141 Ų | 141 | 71.2 Ų | 71.2 | 75% | 0.754 | 38% | 0.38 | S | S | * | . | trans | -58.9 | 82.8 | 161.3 | -66.9 | -24.2 | 0 | 0 | 0 | 110.1 | I1066 S1070 E1355 | I1066-N1068 PolarHBondContact O-N 3.34Å; N1068-S1070 PolarHBondContact O-N 3.17Å; N1068-E1355 PolarHBondContact ND2-OE1 2.64Å | ||
| 1069 | L | 42.9 | Very low | 53.6 | Low | 104.2 Ų | 104.2 | 76 Ų | 76 | 55% | 0.546 | 41% | 0.405 | S | S | . | . | trans | -79.8 | 100 | 169.9 | -86.2 | 150.4 | 0 | 0 | 0 | 109.9 | K1067 V1071 N1079 V1098 L1330 | K1067-L1069 VanDerWaalsContact C-N 3.32Å; K1067-L1069 HydrophobicContact CB-CD1 4.08Å; K1067-L1069 HydrophobicContact CB-CG 4Å; K1067-L1069 HydrophobicContact CD-CD1 4.28Å; K1067-L1069 HydrophobicContact CD-CD2 4.29Å; K1067-L1069 HydrophobicContact CD-CG 4.19Å; K1067-L1069 PolarHBondContact O-N 3.16Å; K1067-L1069 VanDerWaalsContact O-N 3.1Å; L1069-V1071 VanDerWaalsContact C-N 3.25Å; L1069-V1071 PolarHBondContact O-N 3.01Å; L1069-N1079 HydrophobicContact CD1-CB 4.47Å; L1069-V1098 HydrophobicContact CD1-CG1 3.74Å; L1069-V1098 HydrophobicContact CD2-CB 4.47Å; L1069-V1098 HydrophobicContact CD2-CG1 3.87Å; L1069-V1098 HydrophobicContact CG-CG1 4.49Å; L1069-L1330 HydrophobicContact CD2-CD2 4.29Å | ||
| 1070 | S | 41.3 | Very low | 51.6 | Low | 103.8 Ų | 103.8 | 79.5 Ų | 79.5 | 73% | 0.726 | 42% | 0.42 | S | S | * | . | trans | -76.9 | 43.1 | 173.3 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | N1068 N1072 E1073 | N1068-S1070 PolarHBondContact O-N 3.17Å; S1070-N1072 PolarHBondContact O-N 3.37Å; S1070-E1073 PolarHBondContact O-N 3.1Å; S1070-E1073 VanDerWaalsContact O-N 3.13Å | ||
| 1071 | V | 42.5 | Very low | 49.9 | Very low | 88.8 Ų | 88.8 | 83.6 Ų | 83.6 | 54% | 0.538 | 44% | 0.439 | S | S | . | . | trans | -95.9 | 70.4 | -168.5 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | L1069 E1073 I1074 V1098 | L1069-V1071 VanDerWaalsContact C-N 3.25Å; L1069-V1071 PolarHBondContact O-N 3.01Å; V1071-E1073 VanDerWaalsContact C-N 3.28Å; V1071-E1073 WeakPolarHBondContact CG1-O 3.39Å; V1071-E1073 PolarHBondContact O-N 3.37Å; V1071-I1074 HydrophobicContact CG1-CD1 4.28Å; V1071-V1098 WeakPolarHBondContact O-CG2 3.42Å | ||
| 1072 | N | 42.7 | Very low | 48.1 | Very low | 144 Ų | 144 | 85.6 Ų | 85.6 | 77% | 0.77 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -74.2 | -5.8 | -179.2 | -69.7 | -11.2 | 0 | 0 | 0 | 113.9 | S1070 I1074 V1098 | S1070-N1072 PolarHBondContact O-N 3.37Å; N1072-I1074 PolarHBondContact O-N 3.14Å; N1072-V1098 PolarHBondContact O-N 2.88Å |
| 1073 | E | 42.1 | Very low | 46.3 | Very low | 131 Ų | 131 | 88.8 Ų | 88.8 | 61% | 0.612 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 113.7 | -179.5 | -64.6 | -170.7 | 166.4 | 0 | 0 | 112.3 | S1070 V1071 R1075 V1095 Y1096 K1333 | S1070-E1073 PolarHBondContact O-N 3.1Å; S1070-E1073 VanDerWaalsContact O-N 3.13Å; V1071-E1073 VanDerWaalsContact C-N 3.28Å; V1071-E1073 WeakPolarHBondContact CG1-O 3.39Å; V1071-E1073 PolarHBondContact O-N 3.37Å; E1073-R1075 PolarHBondContact O-N 3.02Å; E1073-R1075 VanDerWaalsContact O-N 3.11Å; E1073-V1095 HydrophobicContact CB-CG1 4.01Å; E1073-V1095 HydrophobicContact CG-CG1 4.11Å; E1073-Y1096 WeakPolarHBondContact CA-O 3.14Å; E1073-K1333 IonicContact OE1-NZ 3.19Å; E1073-K1333 PolarHBondContact OE1-NZ 3.06Å; E1073-K1333 IonicContact OE2-NZ 3.66Å; E1073-K1333 PolarHBondContact OE2-NZ 2.91Å |
| 1074 | I | 42.4 | Very low | 44.5 | Very low | 45.6 Ų | 45.6 | 92.9 Ų | 92.9 | 23% | 0.234 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110.4 | 175.6 | -57.5 | 170.2 | 0 | 0 | 0 | 110.2 | V1071 N1072 V1076 N1079 F1080 Y1096 V1098 L1330 V1332 | V1071-I1074 HydrophobicContact CG1-CD1 4.28Å; N1072-I1074 PolarHBondContact O-N 3.14Å; I1074-V1076 PolarHBondContact O-N 3.37Å; I1074-N1079 HydrophobicContact CG2-CB 4.07Å; I1074-F1080 HydrophobicContact CG2-CB 4.29Å; I1074-Y1096 PolarHBondContact N-O 3.23Å; I1074-Y1096 WeakPolarHBondContact O-CB 3.42Å; I1074-Y1096 PolarHBondContact O-N 3.08Å; I1074-Y1096 VanDerWaalsContact O-N 3.11Å; I1074-V1098 HydrophobicContact CD1-CG2 3.5Å; I1074-V1098 VanDerWaalsContact CD1-CG2 3.41Å; I1074-V1098 HydrophobicContact CG1-CG2 3.59Å; I1074-L1330 HydrophobicContact CD1-CB 4.19Å; I1074-L1330 HydrophobicContact CD1-CD1 3.81Å; I1074-L1330 HydrophobicContact CD1-CD2 4.03Å; I1074-L1330 HydrophobicContact CD1-CG 4.16Å; I1074-L1330 HydrophobicContact CG1-CD1 4.39Å; I1074-V1332 HydrophobicContact CD1-CG2 4.04Å |
| 1075 | R | 39.5 | Very low | 42.9 | Very low | 179.8 Ų | 179.8 | 93.9 Ų | 93.9 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.2 | 160.5 | -68.7 | -177.1 | -176.9 | -176.9 | 1.5 | 109.2 | E1073 G1077 E1078 N1079 V1095 | E1073-R1075 PolarHBondContact O-N 3.02Å; E1073-R1075 VanDerWaalsContact O-N 3.11Å; R1075-G1077 PolarHBondContact O-N 3.05Å; R1075-E1078 HydrophobicContact CB-CB 4.38Å; R1075-E1078 VanDerWaalsContact CD-OE2 3.28Å; R1075-E1078 WeakPolarHBondContact CD-OE2 3.31Å; R1075-E1078 IonicContact NH1-OE2 3.59Å; R1075-E1078 PolarHBondContact O-N 3.21Å; R1075-N1079 PolarHBondContact O-N 3.35Å; R1075-N1079 VanDerWaalsContact O-N 3.09Å; R1075-V1095 HydrophobicContact CG-CG2 4.43Å |
| 1076 | V | 39.4 | Very low | 41.3 | Very low | 57.6 Ų | 57.6 | 93.7 Ų | 93.7 | 35% | 0.349 | 50% | 0.496 | S | S | . | . | B | Isolated β-bridge | trans | -69.4 | 120.4 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | I1074 E1078 F1080 P1082 I1090 Y1096 V1332 K1333 | I1074-V1076 PolarHBondContact O-N 3.37Å; V1076-E1078 PolarHBondContact O-N 3.12Å; V1076-F1080 CarbonylContact C-O 3.59Å; V1076-F1080 WeakPolarHBondContact CA-O 3.35Å; V1076-P1082 HydrophobicContact CG1-CB 4.11Å; V1076-P1082 VanDerWaalsContact CG1-CD 3.48Å; V1076-P1082 HydrophobicContact CG1-CG 3.72Å; V1076-P1082 VanDerWaalsContact CG1-CG 3.44Å; V1076-I1090 HydrophobicContact CB-CG2 4.38Å; V1076-I1090 HydrophobicContact CG1-CG2 4.16Å; V1076-I1090 HydrophobicContact CG2-CG2 3.74Å; V1076-Y1096 HydrophobicContact CB-CE2 4.45Å; V1076-Y1096 HydrophobicContact CG2-CD2 3.6Å; V1076-Y1096 HydrophobicContact CG2-CE2 3.58Å; V1076-V1332 HydrophobicContact CG2-CG1 3.09Å; V1076-K1333 WeakPolarHBondContact CG2-O 3.15Å; V1076-K1333 PolarHBondContact N-O 3.15Å |
| 1077 | G | 40 | Very low | 40.1 | Very low | 53.2 Ų | 53.2 | 90.2 Ų | 90.2 | 55% | 0.548 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 131.1 | -31.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1075 N1079 F1080 | R1075-G1077 PolarHBondContact O-N 3.05Å; G1077-N1079 PolarHBondContact O-N 3.17Å; G1077-N1079 VanDerWaalsContact O-N 3.16Å; G1077-F1080 PolarHBondContact N-O 3Å |
| 1078 | E | 38.1 | Very low | 39.3 | Very low | 154.4 Ų | 154.4 | 91.5 Ų | 91.5 | 72% | 0.721 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -40.2 | 177.2 | -69.6 | 177.5 | 160.1 | 0 | 0 | 112.2 | F17 R1075 V1076 F1080 | F17-E1078 WeakPolarHBondContact CE1-O 3.41Å; R1075-E1078 HydrophobicContact CB-CB 4.38Å; R1075-E1078 VanDerWaalsContact CD-OE2 3.28Å; R1075-E1078 WeakPolarHBondContact CD-OE2 3.31Å; R1075-E1078 IonicContact NH1-OE2 3.59Å; R1075-E1078 PolarHBondContact O-N 3.21Å; V1076-E1078 PolarHBondContact O-N 3.12Å; E1078-F1080 PolarHBondContact O-N 3.4Å |
| 1079 | N | 37.2 | Very low | 38.7 | Very low | 101.4 Ų | 101.4 | 89 Ų | 89 | 54% | 0.542 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 4.2 | -175.6 | -66.3 | -23.3 | 0 | 0 | 0 | 113.8 | L1069 I1074 R1075 G1077 | L1069-N1079 HydrophobicContact CD1-CB 4.47Å; I1074-N1079 HydrophobicContact CG2-CB 4.07Å; R1075-N1079 PolarHBondContact O-N 3.35Å; R1075-N1079 VanDerWaalsContact O-N 3.09Å; G1077-N1079 PolarHBondContact O-N 3.17Å; G1077-N1079 VanDerWaalsContact O-N 3.16Å |
| 1080 | F | 35.7 | Very low | 38.5 | Very low | 79.8 Ų | 79.8 | 86.1 Ų | 86.1 | 35% | 0.35 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -133.4 | 117.7 | 176.1 | -141.4 | -93.5 | 0 | 0 | 0 | 109.8 | R1065 I1074 V1076 G1077 E1078 P1082 L1339 I1349 | R1065-F1080 HydrophobicContact CG-CZ 4.49Å; I1074-F1080 HydrophobicContact CG2-CB 4.29Å; V1076-F1080 CarbonylContact C-O 3.59Å; V1076-F1080 WeakPolarHBondContact CA-O 3.35Å; G1077-F1080 PolarHBondContact N-O 3Å; E1078-F1080 PolarHBondContact O-N 3.4Å; F1080-P1082 HydrophobicContact CE1-CB 4.45Å; F1080-P1082 WeakPolarHBondContact O-CD 3.3Å; F1080-L1339 HydrophobicContact CD2-CD2 4.48Å; F1080-L1339 HydrophobicContact CE2-CD2 3.73Å; F1080-L1339 HydrophobicContact CZ-CD2 4.27Å; F1080-I1349 HydrophobicContact CE2-CG2 3.79Å; F1080-I1349 HydrophobicContact CZ-CG2 4.18Å |
| 1081 | M | 38.1 | Very low | 38.5 | Very low | 109.4 Ų | 109.4 | 85.2 Ų | 85.2 | 54% | 0.539 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -75 | 122.8 | 166.6 | -84.1 | 173.4 | 66.9 | 0 | 0 | 108.9 | F17 W1083 H1084 L1488 | F17-M1081 HydrophobicContact CD1-SD 4.4Å; F17-M1081 HydrophobicContact CE1-CG 4.38Å; F17-M1081 HydrophobicContact CE1-SD 4.18Å; M1081-W1083 PolarHBondContact O-N 3.23Å; M1081-H1084 WeakPolarHBondContact CE-NE2 3.11Å; M1081-L1488 HydrophobicContact CE-CB 3.7Å; M1081-L1488 HydrophobicContact CE-CD1 4.34Å; M1081-L1488 HydrophobicContact CE-CD2 3.96Å; M1081-L1488 HydrophobicContact CE-CG 4.2Å |
| 1082 | P | 35.7 | Very low | 38.5 | Very low | 51.8 Ų | 51.8 | 83.6 Ų | 83.6 | 34% | 0.336 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 135.4 | 174.8 | 25.9 | -30.9 | 0 | 0 | 0 | 109.8 | V1076 F1080 H1084 I1090 | V1076-P1082 HydrophobicContact CG1-CB 4.11Å; V1076-P1082 VanDerWaalsContact CG1-CD 3.48Å; V1076-P1082 HydrophobicContact CG1-CG 3.72Å; V1076-P1082 VanDerWaalsContact CG1-CG 3.44Å; F1080-P1082 HydrophobicContact CE1-CB 4.45Å; F1080-P1082 WeakPolarHBondContact O-CD 3.3Å; P1082-H1084 PolarHBondContact O-N 3.36Å; P1082-H1084 VanDerWaalsContact O-N 3.07Å; P1082-I1090 HydrophobicContact CB-CD1 4.45Å |
| 1083 | W | 36.9 | Very low | 38.6 | Very low | 73.4 Ų | 73.4 | 82.7 Ų | 82.7 | 28% | 0.278 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 140.4 | 178.7 | -116.7 | 62.7 | 0 | 0 | 0 | 111.9 | D1060 M1081 G1085 L1086 S1087 L1089 I1318 N1322 A1345 I1349 P1392 E1481 Y1482 E1484 | D1060-W1083 HydrophobicContact CB-CH2 4.16Å; M1081-W1083 PolarHBondContact O-N 3.23Å; W1083-G1085 VanDerWaalsContact C-N 3.33Å; W1083-G1085 PolarHBondContact O-N 3.16Å; W1083-L1086 HydrophobicContact CB-CB 4.16Å; W1083-L1086 HydrophobicContact CB-CD1 3.97Å; W1083-L1086 VanDerWaalsContact CB-CD1 3.41Å; W1083-L1086 HydrophobicContact CB-CG 4.17Å; W1083-L1086 HydrophobicContact CD2-CD1 4.14Å; W1083-L1086 HydrophobicContact CD2-CG 4.49Å; W1083-L1086 HydrophobicContact CE3-CB 4.17Å; W1083-L1086 HydrophobicContact CE3-CD1 3.78Å; W1083-L1086 HydrophobicContact CE3-CG 3.68Å; W1083-L1086 HydrophobicContact CG-CD1 4.09Å; W1083-L1086 HydrophobicContact CZ3-CG 4.48Å; W1083-L1086 CarbonylContact O-C 3.52Å; W1083-L1086 WeakPolarHBondContact O-CA 3.37Å; W1083-L1086 WeakPolarHBondContact O-CB 3.37Å; W1083-L1086 PolarHBondContact O-N 2.94Å; W1083-L1086 VanDerWaalsContact O-N 3.13Å; W1083-S1087 PolarHBondContact O-N 3.41Å; W1083-L1089 HydrophobicContact CZ3-CD1 4.35Å; W1083-I1318 HydrophobicContact CH2-CG2 4.15Å; W1083-I1318 HydrophobicContact CZ3-CG2 4.24Å; W1083-N1322 WeakPolarHBondContact CH2-ND2 3.19Å; W1083-N1322 WeakPolarHBondContact CZ2-ND2 3.39Å; W1083-A1345 HydrophobicContact CD2-CB 4.1Å; W1083-A1345 HydrophobicContact CE3-CB 3.79Å; W1083-A1345 HydrophobicContact CH2-CB 3.1Å; W1083-A1345 HydrophobicContact CZ2-CB 3.42Å; W1083-A1345 VanDerWaalsContact CZ2-CB 3.42Å; W1083-A1345 HydrophobicContact CZ3-CB 3.29Å; W1083-I1349 HydrophobicContact CB-CD1 4.14Å; W1083-I1349 HydrophobicContact CD2-CD1 3.4Å; W1083-I1349 VanDerWaalsContact CD2-CD1 3.4Å; W1083-I1349 HydrophobicContact CD2-CG1 4.35Å; W1083-I1349 HydrophobicContact CE3-CD1 3.88Å; W1083-I1349 HydrophobicContact CG-CD1 3.9Å; W1083-I1349 VanDerWaalsContact CG-CD1 3.49Å; W1083-I1349 HydrophobicContact CZ2-CD1 4.39Å; W1083-P1392 HydrophobicContact CZ2-CB 4.25Å; W1083-P1392 HydrophobicContact CZ2-CG 3.91Å; W1083-P1392 VanDerWaalsContact NE1-CB 3.27Å; W1083-E1481 HydrophobicContact CH2-CB 4Å; W1083-E1481 WeakPolarHBondContact CH2-O 3.28Å; W1083-E1481 HydrophobicContact CZ2-CB 4.43Å; W1083-E1481 WeakPolarHBondContact CZ2-O 3.21Å; W1083-E1481 VanDerWaalsContact CZ3-O 3.22Å; W1083-E1481 WeakPolarHBondContact CZ3-O 3.12Å; W1083-Y1482 HydrophobicContact CH2-CD1 4.15Å; W1083-Y1482 HydrophobicContact CH2-CE1 4.27Å; W1083-Y1482 AromaticContact CZ2-CD1 3.68Å; W1083-Y1482 HydrophobicContact CZ2-CD1 4.01Å; W1083-Y1482 HydrophobicContact CZ2-CE1 4.21Å; W1083-E1484 WeakPolarHBondContact CZ2-OE1 3.3Å |
| 1084 | H | 36.3 | Very low | 38.5 | Very low | 94.8 Ų | 94.8 | 80.2 Ų | 80.2 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 21.3 | -177.4 | -73.1 | -73.5 | 0 | 0 | 0 | 113.9 | M1081 P1082 L1086 S1087 N1088 E1481 R1487 L1623 | M1081-H1084 WeakPolarHBondContact CE-NE2 3.11Å; P1082-H1084 PolarHBondContact O-N 3.36Å; P1082-H1084 VanDerWaalsContact O-N 3.07Å; H1084-L1086 PolarHBondContact O-N 3.06Å; H1084-L1086 VanDerWaalsContact O-N 3.12Å; H1084-S1087 PolarHBondContact ND1-OG 3.29Å; H1084-S1087 CarbonylContact O-C 3.59Å; H1084-S1087 WeakPolarHBondContact O-CA 3.38Å; H1084-S1087 PolarHBondContact O-N 3.22Å; H1084-S1087 PolarHBondContact O-OG 3.17Å; H1084-S1087 VanDerWaalsContact O-OG 3.1Å; H1084-N1088 VanDerWaalsContact O-CG 3.25Å; H1084-N1088 PolarHBondContact O-N 2.82Å; H1084-N1088 PolarHBondContact O-OD1 3.17Å; H1084-E1481 PolarHBondContact NE2-O 3.04Å; H1084-R1487 PolarHBondContact ND1-NH1 3.08Å; H1084-R1487 VanDerWaalsContact ND1-NH1 3.12Å; H1084-L1623 WeakPolarHBondContact CE1-CD1 3.44Å; H1084-L1623 WeakPolarHBondContact NE2-CD1 3.33Å |
| 1085 | G | 36.6 | Very low | 38.5 | Very low | 40.2 Ų | 40.2 | 81.7 Ų | 81.7 | 41% | 0.414 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -29 | -17 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | W1083 S1087 N1088 L1089 | W1083-G1085 VanDerWaalsContact C-N 3.33Å; W1083-G1085 PolarHBondContact O-N 3.16Å; G1085-S1087 PolarHBondContact O-N 2.69Å; G1085-N1088 PolarHBondContact O-ND2 3.08Å; G1085-L1089 WeakPolarHBondContact O-CA 3.47Å; G1085-L1089 WeakPolarHBondContact O-CB 3.33Å; G1085-L1089 WeakPolarHBondContact O-CD1 3.24Å; G1085-L1089 WeakPolarHBondContact O-CG 3.39Å; G1085-L1089 PolarHBondContact O-N 2.8Å |
| 1086 | L | 35.6 | Very low | 38.7 | Very low | 34.8 Ų | 34.8 | 75.9 Ų | 75.9 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -85.9 | -25.4 | 179.3 | -83.9 | 158.8 | 0 | 0 | 0 | 113 | V969 W984 W1083 H1084 N1088 L1089 I1090 V1109 I1344 C1346 | V969-L1086 HydrophobicContact CG2-CD2 4.23Å; W984-L1086 HydrophobicContact CZ2-CD1 3.93Å; W1083-L1086 HydrophobicContact CB-CB 4.16Å; W1083-L1086 HydrophobicContact CB-CD1 3.97Å; W1083-L1086 VanDerWaalsContact CB-CD1 3.41Å; W1083-L1086 HydrophobicContact CB-CG 4.17Å; W1083-L1086 HydrophobicContact CD2-CD1 4.14Å; W1083-L1086 HydrophobicContact CD2-CG 4.49Å; W1083-L1086 HydrophobicContact CE3-CB 4.17Å; W1083-L1086 HydrophobicContact CE3-CD1 3.78Å; W1083-L1086 HydrophobicContact CE3-CG 3.68Å; W1083-L1086 HydrophobicContact CG-CD1 4.09Å; W1083-L1086 HydrophobicContact CZ3-CG 4.48Å; W1083-L1086 CarbonylContact O-C 3.52Å; W1083-L1086 WeakPolarHBondContact O-CA 3.37Å; W1083-L1086 WeakPolarHBondContact O-CB 3.37Å; W1083-L1086 PolarHBondContact O-N 2.94Å; W1083-L1086 VanDerWaalsContact O-N 3.13Å; H1084-L1086 PolarHBondContact O-N 3.06Å; H1084-L1086 VanDerWaalsContact O-N 3.12Å; L1086-N1088 VanDerWaalsContact C-N 3.25Å; L1086-N1088 PolarHBondContact O-N 2.95Å; L1086-L1089 HydrophobicContact CD2-CB 4.49Å; L1086-L1089 HydrophobicContact CD2-CD1 3.77Å; L1086-L1089 HydrophobicContact CG-CD1 3.87Å; L1086-L1089 CarbonylContact O-C 3.57Å; L1086-L1089 WeakPolarHBondContact O-CA 3.38Å; L1086-L1089 WeakPolarHBondContact O-CB 3.19Å; L1086-L1089 PolarHBondContact O-N 3.14Å; L1086-L1089 VanDerWaalsContact O-N 3.1Å; L1086-I1090 HydrophobicContact CB-CD1 4.2Å; L1086-I1090 HydrophobicContact CB-CG1 4.47Å; L1086-I1090 HydrophobicContact CD2-CD1 3.31Å; L1086-I1090 HydrophobicContact CD2-CG1 3.7Å; L1086-I1090 HydrophobicContact CG-CD1 4.25Å; L1086-I1090 WeakPolarHBondContact O-CB 3.24Å; L1086-I1090 WeakPolarHBondContact O-CD1 3.48Å; L1086-I1090 WeakPolarHBondContact O-CG1 3.33Å; L1086-I1090 PolarHBondContact O-N 3.08Å; L1086-V1109 HydrophobicContact CD1-CB 4.44Å; L1086-V1109 HydrophobicContact CD1-CG1 3.43Å; L1086-V1109 VanDerWaalsContact CD1-CG1 3.43Å; L1086-V1109 HydrophobicContact CD1-CG2 4.05Å; L1086-I1344 HydrophobicContact CD1-CG2 4.16Å; L1086-I1344 HydrophobicContact CD2-CD1 4.47Å; L1086-I1344 HydrophobicContact CD2-CG2 4.16Å; L1086-C1346 WeakPolarHBondContact CD1-SG 3.29Å; L1086-C1346 VanDerWaalsContact CD2-SG 3.57Å |
| 1087 | S | 36.6 | Very low | 38.8 | Very low | 42 Ų | 42 | 77.3 Ų | 77.3 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -62.6 | -21 | 174.5 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | W1083 H1084 G1085 L1089 I1090 P1092 | W1083-S1087 PolarHBondContact O-N 3.41Å; H1084-S1087 PolarHBondContact ND1-OG 3.29Å; H1084-S1087 CarbonylContact O-C 3.59Å; H1084-S1087 WeakPolarHBondContact O-CA 3.38Å; H1084-S1087 PolarHBondContact O-N 3.22Å; H1084-S1087 PolarHBondContact O-OG 3.17Å; H1084-S1087 VanDerWaalsContact O-OG 3.1Å; G1085-S1087 PolarHBondContact O-N 2.69Å; S1087-L1089 VanDerWaalsContact C-N 3.27Å; S1087-L1089 PolarHBondContact O-N 2.99Å; S1087-I1090 CarbonylContact C-O 3.54Å; S1087-P1092 WeakPolarHBondContact O-CD 3.4Å; S1087-P1092 VanDerWaalsContact O-CG 3.25Å; S1087-P1092 WeakPolarHBondContact O-CG 3.27Å |
| 1088 | N | 36.6 | Very low | 39 | Very low | 91.4 Ų | 91.4 | 77.5 Ų | 77.5 | 49% | 0.489 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -15.2 | 175.5 | -58.3 | -20 | 0 | 0 | 0 | 112.9 | H1084 G1085 L1086 I1090 R1315 F1609 L1614 | H1084-N1088 VanDerWaalsContact O-CG 3.25Å; H1084-N1088 PolarHBondContact O-N 2.82Å; H1084-N1088 PolarHBondContact O-OD1 3.17Å; G1085-N1088 PolarHBondContact O-ND2 3.08Å; L1086-N1088 VanDerWaalsContact C-N 3.25Å; L1086-N1088 PolarHBondContact O-N 2.95Å; N1088-I1090 CarbonylContact C-O 3.52Å; N1088-I1090 WeakPolarHBondContact CA-O 3.42Å; N1088-I1090 PolarHBondContact N-O 2.83Å; N1088-I1090 PolarHBondContact O-N 2.66Å; N1088-R1315 PolarHBondContact O-NH1 2.76Å; N1088-R1315 PolarHBondContact O-NH2 2.75Å; N1088-F1609 HydrophobicContact CB-CZ 4.07Å; N1088-F1609 WeakPolarHBondContact O-CE2 3.46Å; N1088-F1609 WeakPolarHBondContact O-CZ 3.49Å; N1088-L1614 HydrophobicContact CB-CD1 4.1Å; N1088-L1614 HydrophobicContact CB-CD2 4.09Å; N1088-L1614 HydrophobicContact CB-CG 4Å; N1088-L1614 VanDerWaalsContact CG-CG 3.4Å; N1088-L1614 WeakPolarHBondContact ND2-CD2 3.39Å; N1088-L1614 WeakPolarHBondContact OD1-CD2 3.41Å; N1088-L1614 WeakPolarHBondContact OD1-CG 3.26Å |
| 1089 | L | 36 | Very low | 39.2 | Very low | 87.4 Ų | 87.4 | 72.3 Ų | 72.3 | 46% | 0.458 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -15.9 | 179.2 | -80.5 | 161.9 | 0 | 0 | 0 | 112.7 | L965 V969 W1083 G1085 L1086 S1087 R1315 L1319 F1609 | L965-L1089 HydrophobicContact CD2-CD1 4.12Å; L965-L1089 HydrophobicContact CG-CD1 4.43Å; V969-L1089 HydrophobicContact CG1-CB 4.35Å; V969-L1089 HydrophobicContact CG2-CD1 4.2Å; W1083-L1089 HydrophobicContact CZ3-CD1 4.35Å; G1085-L1089 WeakPolarHBondContact O-CA 3.47Å; G1085-L1089 WeakPolarHBondContact O-CB 3.33Å; G1085-L1089 WeakPolarHBondContact O-CD1 3.24Å; G1085-L1089 WeakPolarHBondContact O-CG 3.39Å; G1085-L1089 PolarHBondContact O-N 2.8Å; L1086-L1089 HydrophobicContact CD2-CB 4.49Å; L1086-L1089 HydrophobicContact CD2-CD1 3.77Å; L1086-L1089 HydrophobicContact CG-CD1 3.87Å; L1086-L1089 CarbonylContact O-C 3.57Å; L1086-L1089 WeakPolarHBondContact O-CA 3.38Å; L1086-L1089 WeakPolarHBondContact O-CB 3.19Å; L1086-L1089 PolarHBondContact O-N 3.14Å; L1086-L1089 VanDerWaalsContact O-N 3.1Å; S1087-L1089 VanDerWaalsContact C-N 3.27Å; S1087-L1089 PolarHBondContact O-N 2.99Å; L1089-R1315 HydrophobicContact CD2-CB 3.48Å; L1089-R1315 VanDerWaalsContact CD2-CB 3.48Å; L1089-R1315 HydrophobicContact CD2-CG 4.3Å; L1089-R1315 HydrophobicContact CG-CB 4.05Å; L1089-R1315 PolarHBondContact O-NH1 3.46Å; L1089-L1319 HydrophobicContact CD1-CD1 4Å; L1089-F1609 HydrophobicContact CD2-CD2 4.01Å; L1089-F1609 HydrophobicContact CD2-CE2 3.75Å; L1089-F1609 HydrophobicContact CG-CE2 4.1Å |
| 1090 | I | 38.4 | Very low | 39.4 | Very low | 44.4 Ų | 44.4 | 69.6 Ų | 69.6 | 23% | 0.228 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -116 | 114.4 | -180 | -61.7 | 171.3 | 0 | 0 | 0 | 106.2 | V1076 P1082 L1086 S1087 N1088 P1092 E1094 V1095 Y1096 I1340 | V1076-I1090 HydrophobicContact CB-CG2 4.38Å; V1076-I1090 HydrophobicContact CG1-CG2 4.16Å; V1076-I1090 HydrophobicContact CG2-CG2 3.74Å; P1082-I1090 HydrophobicContact CB-CD1 4.45Å; L1086-I1090 HydrophobicContact CB-CD1 4.2Å; L1086-I1090 HydrophobicContact CB-CG1 4.47Å; L1086-I1090 HydrophobicContact CD2-CD1 3.31Å; L1086-I1090 HydrophobicContact CD2-CG1 3.7Å; L1086-I1090 HydrophobicContact CG-CD1 4.25Å; L1086-I1090 WeakPolarHBondContact O-CB 3.24Å; L1086-I1090 WeakPolarHBondContact O-CD1 3.48Å; L1086-I1090 WeakPolarHBondContact O-CG1 3.33Å; L1086-I1090 PolarHBondContact O-N 3.08Å; S1087-I1090 CarbonylContact C-O 3.54Å; N1088-I1090 CarbonylContact C-O 3.52Å; N1088-I1090 WeakPolarHBondContact CA-O 3.42Å; N1088-I1090 PolarHBondContact N-O 2.83Å; N1088-I1090 PolarHBondContact O-N 2.66Å; I1090-P1092 VanDerWaalsContact O-CD 3.28Å; I1090-P1092 WeakPolarHBondContact O-CD 3.25Å; I1090-P1092 WeakPolarHBondContact O-CG 3.41Å; I1090-P1092 VanDerWaalsContact O-N 3.17Å; I1090-E1094 HydrophobicContact CG2-CB 4.01Å; I1090-V1095 HydrophobicContact CG2-CB 3.56Å; I1090-V1095 HydrophobicContact CG2-CG1 4.47Å; I1090-V1095 HydrophobicContact CG2-CG2 3.3Å; I1090-Y1096 HydrophobicContact CB-CE2 4.43Å; I1090-Y1096 HydrophobicContact CG1-CE2 4.14Å; I1090-Y1096 HydrophobicContact CG2-CD2 3.96Å; I1090-Y1096 VanDerWaalsContact CG2-CD2 3.48Å; I1090-Y1096 HydrophobicContact CG2-CE2 3.49Å; I1090-Y1096 VanDerWaalsContact CG2-CE2 3.44Å; I1090-Y1096 HydrophobicContact CG2-CG 4.42Å; I1090-Y1096 VanDerWaalsContact CG2-OH 3.3Å; I1090-Y1096 WeakPolarHBondContact CG2-OH 3.34Å; I1090-I1340 HydrophobicContact CG1-CG2 4.27Å |
| 1091 | D | 42.3 | Very low | 39.8 | Very low | 83.4 Ų | 83.4 | 69.5 Ų | 69.5 | 45% | 0.446 | 37% | 0.374 | S | S | . | . | trans | -67.4 | 120.3 | 175 | -162.4 | -17.1 | 0 | 0 | 0 | 108.9 | H1093 E1094 Y1096 | D1091-H1093 PolarHBondContact O-N 3.19Å; D1091-H1093 VanDerWaalsContact O-N 3.15Å; D1091-H1093 WeakPolarHBondContact OD1-CB 3.38Å; D1091-H1093 IonicContact OD1-CD2 3.35Å; D1091-H1093 IonicContact OD1-CG 3.08Å; D1091-H1093 PolarHBondContact OD1-N 3.23Å; D1091-E1094 HydrophobicContact CB-CB 4.2Å; D1091-E1094 HydrophobicContact CB-CG 4.02Å; D1091-E1094 PolarHBondContact N-OE2 2.85Å; D1091-E1094 WeakPolarHBondContact O-CB 3.44Å; D1091-E1094 PolarHBondContact O-N 3.12Å; D1091-E1094 VanDerWaalsContact O-N 3.13Å; D1091-Y1096 PolarHBondContact N-OH 3.05Å; D1091-Y1096 WeakPolarHBondContact O-CE2 3.41Å; D1091-Y1096 VanDerWaalsContact O-CZ 3.25Å; D1091-Y1096 PolarHBondContact O-OH 3.28Å | ||
| 1092 | P | 42.8 | Very low | 40 | Very low | 56.2 Ų | 56.2 | 70 Ų | 70 | 37% | 0.365 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -14.6 | -176.2 | 8.1 | -10.2 | 0 | 0 | 0 | 113.6 | H20 P21 S1087 I1090 E1094 V1095 Y1096 I1619 | H20-P1092 PolarHBondContact NE2-O 2.73Å; P21-P1092 HydrophobicContact CG-CB 4.03Å; P21-P1092 HydrophobicContact CG-CG 3.72Å; S1087-P1092 WeakPolarHBondContact O-CD 3.4Å; S1087-P1092 VanDerWaalsContact O-CG 3.25Å; S1087-P1092 WeakPolarHBondContact O-CG 3.27Å; I1090-P1092 VanDerWaalsContact O-CD 3.28Å; I1090-P1092 WeakPolarHBondContact O-CD 3.25Å; I1090-P1092 WeakPolarHBondContact O-CG 3.41Å; I1090-P1092 VanDerWaalsContact O-N 3.17Å; P1092-E1094 VanDerWaalsContact C-N 3.34Å; P1092-E1094 PolarHBondContact O-N 3.33Å; P1092-V1095 PolarHBondContact O-N 2.73Å; P1092-Y1096 VanDerWaalsContact C-CD2 3.42Å; P1092-Y1096 HydrophobicContact CB-CD2 3.88Å; P1092-Y1096 HydrophobicContact CB-CE2 3.36Å; P1092-Y1096 WeakPolarHBondContact O-CB 3.34Å; P1092-Y1096 WeakPolarHBondContact O-CD2 3.28Å; P1092-Y1096 VanDerWaalsContact O-CG 3.28Å; P1092-Y1096 PolarHBondContact O-N 3.13Å; P1092-I1619 HydrophobicContact CB-CD1 3.99Å; P1092-I1619 HydrophobicContact CB-CG1 4.1Å; P1092-I1619 HydrophobicContact CG-CD1 3.68Å; P1092-I1619 HydrophobicContact CG-CG1 4.02Å |
| 1093 | H | 43.3 | Very low | 40.4 | Very low | 124.4 Ų | 124.4 | 71.4 Ų | 71.4 | 58% | 0.576 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -9.4 | 178.7 | -61 | -55.7 | 0 | 0 | 0 | 114.3 | H20 P21 H22 D1091 V1095 Y1300 | H20-H1093 AromaticContact CE1-CE1 3.63Å; H20-H1093 AromaticContact CE1-ND1 3.9Å; H20-H1093 AromaticContact NE2-CE1 3.67Å; H20-H1093 AromaticContact NE2-ND1 3.65Å; P21-H1093 VanDerWaalsContact C-NE2 3.33Å; P21-H1093 VanDerWaalsContact CB-NE2 3.28Å; P21-H1093 WeakPolarHBondContact CB-NE2 3.36Å; P21-H1093 VanDerWaalsContact CG-CE1 3.42Å; P21-H1093 WeakPolarHBondContact CG-CE1 3.46Å; P21-H1093 WeakPolarHBondContact CG-NE2 3.44Å; H22-H1093 AromaticContact CE1-CD2 3.4Å; H22-H1093 PolarHBondContact CE1-CD2 3.34Å; H22-H1093 AromaticContact CE1-CE1 3.55Å; H22-H1093 AromaticContact CE1-CG 3.4Å; H22-H1093 VanDerWaalsContact CE1-CG 3.4Å; H22-H1093 AromaticContact CE1-ND1 3.49Å; H22-H1093 PolarHBondContact CE1-ND1 2.83Å; H22-H1093 AromaticContact CE1-NE2 3.47Å; H22-H1093 PolarHBondContact CE1-NE2 3.06Å; H22-H1093 AromaticContact CG-CE1 3.55Å; H22-H1093 AromaticContact CG-NE2 3.76Å; H22-H1093 PolarHBondContact N-CE1 2.96Å; H22-H1093 PolarHBondContact N-NE2 2.97Å; H22-H1093 VanDerWaalsContact N-NE2 3.13Å; H22-H1093 AromaticContact ND1-CD2 3.33Å; H22-H1093 PolarHBondContact ND1-CD2 3.09Å; H22-H1093 VanDerWaalsContact ND1-CD2 3.33Å; H22-H1093 AromaticContact ND1-CE1 3.09Å; H22-H1093 PolarHBondContact ND1-CE1 3.34Å; H22-H1093 AromaticContact ND1-CG 3.68Å; H22-H1093 AromaticContact ND1-ND1 3.53Å; H22-H1093 AromaticContact ND1-NE2 2.89Å; H22-H1093 PolarHBondContact ND1-NE2 3.18Å; D1091-H1093 PolarHBondContact O-N 3.19Å; D1091-H1093 VanDerWaalsContact O-N 3.15Å; D1091-H1093 WeakPolarHBondContact OD1-CB 3.38Å; D1091-H1093 IonicContact OD1-CD2 3.35Å; D1091-H1093 IonicContact OD1-CG 3.08Å; D1091-H1093 PolarHBondContact OD1-N 3.23Å; H1093-V1095 PolarHBondContact O-N 2.94Å; H1093-Y1300 HydrophobicContact CB-CD2 3.78Å; H1093-Y1300 HydrophobicContact CB-CE2 3.59Å |
| 1094 | E | 41.1 | Very low | 40.6 | Very low | 79.2 Ų | 79.2 | 70.4 Ų | 70.4 | 37% | 0.37 | 38% | 0.384 | S | S | . | . | trans | -79.6 | 115.5 | 171 | -83.7 | -174.3 | 152.3 | 0 | 0 | 110.8 | Y973 I1090 D1091 P1092 Y1096 V1098 S1334 S1335 | Y973-E1094 WeakPolarHBondContact CE2-OE2 3.27Å; Y973-E1094 VanDerWaalsContact OH-CD 3.26Å; Y973-E1094 PolarHBondContact OH-OE1 2.7Å; Y973-E1094 PolarHBondContact OH-OE2 3.21Å; I1090-E1094 HydrophobicContact CG2-CB 4.01Å; D1091-E1094 HydrophobicContact CB-CB 4.2Å; D1091-E1094 HydrophobicContact CB-CG 4.02Å; D1091-E1094 PolarHBondContact N-OE2 2.85Å; D1091-E1094 WeakPolarHBondContact O-CB 3.44Å; D1091-E1094 PolarHBondContact O-N 3.12Å; D1091-E1094 VanDerWaalsContact O-N 3.13Å; P1092-E1094 VanDerWaalsContact C-N 3.34Å; P1092-E1094 PolarHBondContact O-N 3.33Å; E1094-Y1096 VanDerWaalsContact C-N 3.33Å; E1094-Y1096 HydrophobicContact CB-CD1 4.15Å; E1094-Y1096 HydrophobicContact CB-CD2 4.48Å; E1094-Y1096 HydrophobicContact CB-CE1 3.96Å; E1094-Y1096 HydrophobicContact CB-CE2 3.81Å; E1094-Y1096 WeakPolarHBondContact CB-OH 3.49Å; E1094-Y1096 VanDerWaalsContact O-CD2 3.28Å; E1094-Y1096 WeakPolarHBondContact O-CD2 3.24Å; E1094-Y1096 WeakPolarHBondContact O-CE2 3.39Å; E1094-Y1096 PolarHBondContact O-N 3.15Å; E1094-Y1096 WeakPolarHBondContact OE2-CE1 3.35Å; E1094-Y1096 PolarHBondContact OE2-OH 2.8Å; E1094-V1098 WeakPolarHBondContact O-CG2 3.24Å; E1094-S1334 WeakPolarHBondContact OE1-CB 3.19Å; E1094-S1335 PolarHBondContact OE1-N 3.48Å; E1094-S1335 VanDerWaalsContact OE1-N 3.11Å; E1094-S1335 PolarHBondContact OE1-OG 2.9Å | ||
| 1095 | V | 41.4 | Very low | 40.8 | Very low | 76.4 Ų | 76.4 | 72.8 Ų | 72.8 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 94.9 | 173.8 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | E1073 R1075 I1090 P1092 H1093 N1097 V1098 I1099 S1335 | E1073-V1095 HydrophobicContact CB-CG1 4.01Å; E1073-V1095 HydrophobicContact CG-CG1 4.11Å; R1075-V1095 HydrophobicContact CG-CG2 4.43Å; I1090-V1095 HydrophobicContact CG2-CB 3.56Å; I1090-V1095 HydrophobicContact CG2-CG1 4.47Å; I1090-V1095 HydrophobicContact CG2-CG2 3.3Å; P1092-V1095 PolarHBondContact O-N 2.73Å; H1093-V1095 PolarHBondContact O-N 2.94Å; V1095-N1097 VanDerWaalsContact C-N 3.34Å; V1095-N1097 PolarHBondContact O-N 3.27Å; V1095-V1098 CarbonylContact O-C 3.53Å; V1095-V1098 WeakPolarHBondContact O-CA 3.08Å; V1095-I1099 HydrophobicContact CG1-CB 4.2Å; V1095-I1099 HydrophobicContact CG1-CD1 3.71Å; V1095-I1099 HydrophobicContact CG1-CG1 3.91Å; V1095-I1099 PolarHBondContact O-N 2.99Å; V1095-S1335 PolarHBondContact O-N 3.24Å |
| 1096 | Y | 44 | Very low | 41 | Very low | 57.4 Ų | 57.4 | 75 Ų | 75 | 23% | 0.225 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 95.6 | -178.5 | -75.9 | -58.8 | 0 | 0 | 0 | 111.8 | Y973 K976 E1073 I1074 V1076 I1090 D1091 P1092 E1094 V1098 V1332 I1340 | Y973-Y1096 AromaticContact CE2-CE1 3.71Å; Y973-Y1096 HydrophobicContact CE2-CE1 3.71Å; K976-Y1096 VanDerWaalsContact NZ-CE1 3.34Å; E1073-Y1096 WeakPolarHBondContact CA-O 3.14Å; I1074-Y1096 PolarHBondContact N-O 3.23Å; I1074-Y1096 WeakPolarHBondContact O-CB 3.42Å; I1074-Y1096 PolarHBondContact O-N 3.08Å; I1074-Y1096 VanDerWaalsContact O-N 3.11Å; V1076-Y1096 HydrophobicContact CB-CE2 4.45Å; V1076-Y1096 HydrophobicContact CG2-CD2 3.6Å; V1076-Y1096 HydrophobicContact CG2-CE2 3.58Å; I1090-Y1096 HydrophobicContact CB-CE2 4.43Å; I1090-Y1096 HydrophobicContact CG1-CE2 4.14Å; I1090-Y1096 HydrophobicContact CG2-CD2 3.96Å; I1090-Y1096 VanDerWaalsContact CG2-CD2 3.48Å; I1090-Y1096 HydrophobicContact CG2-CE2 3.49Å; I1090-Y1096 VanDerWaalsContact CG2-CE2 3.44Å; I1090-Y1096 HydrophobicContact CG2-CG 4.42Å; I1090-Y1096 VanDerWaalsContact CG2-OH 3.3Å; I1090-Y1096 WeakPolarHBondContact CG2-OH 3.34Å; D1091-Y1096 PolarHBondContact N-OH 3.05Å; D1091-Y1096 WeakPolarHBondContact O-CE2 3.41Å; D1091-Y1096 VanDerWaalsContact O-CZ 3.25Å; D1091-Y1096 PolarHBondContact O-OH 3.28Å; P1092-Y1096 VanDerWaalsContact C-CD2 3.42Å; P1092-Y1096 HydrophobicContact CB-CD2 3.88Å; P1092-Y1096 HydrophobicContact CB-CE2 3.36Å; P1092-Y1096 WeakPolarHBondContact O-CB 3.34Å; P1092-Y1096 WeakPolarHBondContact O-CD2 3.28Å; P1092-Y1096 VanDerWaalsContact O-CG 3.28Å; P1092-Y1096 PolarHBondContact O-N 3.13Å; E1094-Y1096 VanDerWaalsContact C-N 3.33Å; E1094-Y1096 HydrophobicContact CB-CD1 4.15Å; E1094-Y1096 HydrophobicContact CB-CD2 4.48Å; E1094-Y1096 HydrophobicContact CB-CE1 3.96Å; E1094-Y1096 HydrophobicContact CB-CE2 3.81Å; E1094-Y1096 WeakPolarHBondContact CB-OH 3.49Å; E1094-Y1096 VanDerWaalsContact O-CD2 3.28Å; E1094-Y1096 WeakPolarHBondContact O-CD2 3.24Å; E1094-Y1096 WeakPolarHBondContact O-CE2 3.39Å; E1094-Y1096 PolarHBondContact O-N 3.15Å; E1094-Y1096 WeakPolarHBondContact OE2-CE1 3.35Å; E1094-Y1096 PolarHBondContact OE2-OH 2.8Å; Y1096-V1098 PolarHBondContact O-N 3.04Å; Y1096-V1332 HydrophobicContact CD1-CG1 3.31Å; Y1096-V1332 HydrophobicContact CE1-CG1 4.39Å; Y1096-V1332 HydrophobicContact CG-CG1 3.49Å; Y1096-V1332 VanDerWaalsContact CG-CG1 3.49Å; Y1096-I1340 HydrophobicContact CD1-CD1 3.86Å; Y1096-I1340 HydrophobicContact CE1-CD1 3.41Å |
| 1097 | N | 42.3 | Very low | 41 | Very low | 87.4 Ų | 87.4 | 75.9 Ų | 75.9 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 98 | 172 | -62.2 | -19.7 | 0 | 0 | 0 | 111.1 | V1095 I1099 L1297 K1333 | V1095-N1097 VanDerWaalsContact C-N 3.34Å; V1095-N1097 PolarHBondContact O-N 3.27Å; N1097-I1099 CarbonylContact C-O 3.29Å; N1097-I1099 VanDerWaalsContact C-O 3.29Å; N1097-I1099 WeakPolarHBondContact CA-O 3.45Å; N1097-I1099 WeakPolarHBondContact CB-O 3.25Å; N1097-I1099 PolarHBondContact O-N 3.08Å; N1097-L1297 VanDerWaalsContact O-CD1 3.3Å; N1097-L1297 WeakPolarHBondContact O-CD1 3.3Å; N1097-L1297 VanDerWaalsContact O-CG 3.25Å; N1097-L1297 WeakPolarHBondContact O-CG 3.43Å; N1097-L1297 VanDerWaalsContact OD1-CD2 3.23Å; N1097-L1297 WeakPolarHBondContact OD1-CD2 3.47Å; N1097-K1333 PolarHBondContact N-O 3.13Å; N1097-K1333 VanDerWaalsContact N-O 3.09Å; N1097-K1333 PolarHBondContact O-N 3.25Å |
| 1098 | V | 44.9 | Very low | 40.9 | Very low | 57.8 Ų | 57.8 | 78 Ų | 78 | 35% | 0.35 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 125.2 | 170 | -162 | 0 | 0 | 0 | 0 | 109.3 | K966 L1069 V1071 N1072 I1074 E1094 V1095 Y1096 S1100 L1297 L1330 K1338 | K966-V1098 HydrophobicContact CD-CG1 4.47Å; L1069-V1098 HydrophobicContact CD1-CG1 3.74Å; L1069-V1098 HydrophobicContact CD2-CB 4.47Å; L1069-V1098 HydrophobicContact CD2-CG1 3.87Å; L1069-V1098 HydrophobicContact CG-CG1 4.49Å; V1071-V1098 WeakPolarHBondContact O-CG2 3.42Å; N1072-V1098 PolarHBondContact O-N 2.88Å; I1074-V1098 HydrophobicContact CD1-CG2 3.5Å; I1074-V1098 VanDerWaalsContact CD1-CG2 3.41Å; I1074-V1098 HydrophobicContact CG1-CG2 3.59Å; E1094-V1098 WeakPolarHBondContact O-CG2 3.24Å; V1095-V1098 CarbonylContact O-C 3.53Å; V1095-V1098 WeakPolarHBondContact O-CA 3.08Å; Y1096-V1098 PolarHBondContact O-N 3.04Å; V1098-S1100 PolarHBondContact O-N 2.96Å; V1098-L1297 HydrophobicContact CG2-CD1 3.89Å; V1098-L1297 HydrophobicContact CG2-CD2 3.86Å; V1098-L1330 HydrophobicContact CG1-CD2 3.92Å; V1098-L1330 HydrophobicContact CG2-CD2 4.4Å; V1098-K1338 HydrophobicContact CG2-CD 4.32Å |
| 1099 | I | 41.8 | Very low | 40.8 | Very low | 44.8 Ų | 44.8 | 77.5 Ų | 77.5 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -92.9 | 129.2 | 172.5 | -51.7 | 170.1 | 0 | 0 | 0 | 106.4 | Y973 V1095 N1097 D1103 L1104 T1331 K1333 L1339 | Y973-I1099 HydrophobicContact CD2-CD1 4.43Å; Y973-I1099 HydrophobicContact CE2-CD1 4.4Å; Y973-I1099 HydrophobicContact CE2-CG1 4.47Å; V1095-I1099 HydrophobicContact CG1-CB 4.2Å; V1095-I1099 HydrophobicContact CG1-CD1 3.71Å; V1095-I1099 HydrophobicContact CG1-CG1 3.91Å; V1095-I1099 PolarHBondContact O-N 2.99Å; N1097-I1099 CarbonylContact C-O 3.29Å; N1097-I1099 VanDerWaalsContact C-O 3.29Å; N1097-I1099 WeakPolarHBondContact CA-O 3.45Å; N1097-I1099 WeakPolarHBondContact CB-O 3.25Å; N1097-I1099 PolarHBondContact O-N 3.08Å; I1099-D1103 HydrophobicContact CB-CB 4.45Å; I1099-D1103 HydrophobicContact CG2-CB 3.58Å; I1099-L1104 HydrophobicContact CB-CD1 4.29Å; I1099-L1104 HydrophobicContact CD1-CD1 4.27Å; I1099-L1104 HydrophobicContact CG2-CB 4.48Å; I1099-L1104 HydrophobicContact CG2-CD1 4.19Å; I1099-L1104 HydrophobicContact CG2-CG 4.08Å; I1099-T1331 PolarHBondContact N-O 3.27Å; I1099-T1331 VanDerWaalsContact N-O 3.15Å; I1099-T1331 PolarHBondContact O-OG1 2.93Å; I1099-T1331 VanDerWaalsContact O-OG1 3.05Å; I1099-K1333 HydrophobicContact CD1-CB 4Å; I1099-K1333 HydrophobicContact CD1-CD 3.67Å; I1099-K1333 HydrophobicContact CD1-CG 3.45Å; I1099-K1333 HydrophobicContact CG1-CB 3.98Å; I1099-K1333 HydrophobicContact CG1-CD 3.83Å; I1099-K1333 HydrophobicContact CG1-CG 3.87Å; I1099-L1339 HydrophobicContact CD1-CD1 4.13Å; I1099-L1339 HydrophobicContact CD1-CD2 3.43Å; I1099-L1339 VanDerWaalsContact CD1-CD2 3.43Å; I1099-L1339 HydrophobicContact CD1-CG 3.98Å |
| 1100 | S | 40.4 | Very low | 40.9 | Very low | 44.6 Ų | 44.6 | 77.1 Ų | 77.1 | 31% | 0.312 | 43% | 0.433 | S | S | . | . | trans | -63.2 | 151.6 | 172.2 | 70.3 | 0 | 0 | 0 | 0 | 110.2 | V1098 D1102 D1103 L1104 | V1098-S1100 PolarHBondContact O-N 2.96Å; S1100-D1102 PolarHBondContact O-N 3.17Å; S1100-D1102 VanDerWaalsContact O-N 3.14Å; S1100-D1103 WeakPolarHBondContact CB-OD2 3.42Å; S1100-D1103 PolarHBondContact N-OD2 3.25Å; S1100-D1103 VanDerWaalsContact N-OD2 3.16Å; S1100-D1103 CarbonylContact O-C 3.57Å; S1100-D1103 WeakPolarHBondContact O-CA 3.36Å; S1100-D1103 WeakPolarHBondContact O-CB 3.19Å; S1100-D1103 PolarHBondContact O-N 3.28Å; S1100-D1103 VanDerWaalsContact O-N 3.1Å; S1100-D1103 WeakPolarHBondContact OG-CB 3.37Å; S1100-D1103 PolarHBondContact OG-N 2.98Å; S1100-D1103 VanDerWaalsContact OG-N 3.12Å; S1100-D1103 PolarHBondContact OG-OD2 3.15Å; S1100-L1104 PolarHBondContact O-N 3.03Å; S1100-L1104 VanDerWaalsContact O-N 3.14Å | ||
| 1101 | I | 43.6 | Very low | 40.9 | Very low | 78.6 Ų | 78.6 | 79.4 Ų | 79.4 | 40% | 0.403 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.3 | -32.1 | 177.1 | -65.7 | 169.1 | 0 | 0 | 0 | 110.3 | I1066 D1103 L1104 Q1105 H1327 L1339 | I1066-I1101 HydrophobicContact CG2-CD1 3.77Å; I1101-D1103 VanDerWaalsContact C-N 3.34Å; I1101-L1104 CarbonylContact O-C 3.59Å; I1101-L1104 WeakPolarHBondContact O-CA 3.48Å; I1101-L1104 VanDerWaalsContact O-CB 3.24Å; I1101-L1104 WeakPolarHBondContact O-CB 3.28Å; I1101-L1104 PolarHBondContact O-N 3.03Å; I1101-L1104 VanDerWaalsContact O-N 3.08Å; I1101-Q1105 HydrophobicContact CG2-CG 4.15Å; I1101-Q1105 WeakPolarHBondContact O-CB 3.3Å; I1101-Q1105 WeakPolarHBondContact O-CG 3.09Å; I1101-Q1105 PolarHBondContact O-N 3.11Å; I1101-H1327 HydrophobicContact CD1-CB 4.26Å; I1101-L1339 HydrophobicContact CD1-CD1 3.99Å; I1101-L1339 HydrophobicContact CG1-CD1 3.8Å |
| 1102 | D | 43.5 | Very low | 41 | Very low | 119.4 Ų | 119.4 | 81.9 Ų | 81.9 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66 | -40 | 177.3 | -58.3 | -32.7 | 0 | 0 | 0 | 111.9 | S1100 L1104 Q1105 S1106 | S1100-D1102 PolarHBondContact O-N 3.17Å; S1100-D1102 VanDerWaalsContact O-N 3.14Å; D1102-L1104 VanDerWaalsContact C-N 3.27Å; D1102-L1104 PolarHBondContact O-N 2.95Å; D1102-Q1105 CarbonylContact O-C 3.59Å; D1102-Q1105 PolarHBondContact O-N 3.17Å; D1102-S1106 WeakPolarHBondContact O-CA 3.48Å; D1102-S1106 WeakPolarHBondContact O-CB 3.37Å; D1102-S1106 PolarHBondContact O-N 3.01Å; D1102-S1106 VanDerWaalsContact O-N 3.07Å; D1102-S1106 PolarHBondContact O-OG 3.04Å |
| 1103 | D | 43.3 | Very low | 41.4 | Very low | 80.6 Ų | 80.6 | 85 Ų | 85 | 43% | 0.431 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.1 | -25.5 | 173.7 | -73 | -38.4 | 0 | 0 | 0 | 112.6 | Y973 I1099 S1100 I1101 Q1105 S1106 S1107 | Y973-D1103 PolarHBondContact OH-OD2 3.47Å; I1099-D1103 HydrophobicContact CB-CB 4.45Å; I1099-D1103 HydrophobicContact CG2-CB 3.58Å; S1100-D1103 WeakPolarHBondContact CB-OD2 3.42Å; S1100-D1103 PolarHBondContact N-OD2 3.25Å; S1100-D1103 VanDerWaalsContact N-OD2 3.16Å; S1100-D1103 CarbonylContact O-C 3.57Å; S1100-D1103 WeakPolarHBondContact O-CA 3.36Å; S1100-D1103 WeakPolarHBondContact O-CB 3.19Å; S1100-D1103 PolarHBondContact O-N 3.28Å; S1100-D1103 VanDerWaalsContact O-N 3.1Å; S1100-D1103 WeakPolarHBondContact OG-CB 3.37Å; S1100-D1103 PolarHBondContact OG-N 2.98Å; S1100-D1103 VanDerWaalsContact OG-N 3.12Å; S1100-D1103 PolarHBondContact OG-OD2 3.15Å; I1101-D1103 VanDerWaalsContact C-N 3.34Å; D1103-Q1105 VanDerWaalsContact C-N 3.33Å; D1103-S1106 WeakPolarHBondContact CA-OG 3.23Å; D1103-S1106 PolarHBondContact O-N 3.43Å; D1103-S1106 PolarHBondContact O-OG 3.01Å; D1103-S1106 PolarHBondContact OD1-OG 3.42Å; D1103-S1107 WeakPolarHBondContact O-CA 3.41Å; D1103-S1107 WeakPolarHBondContact O-CB 3.27Å; D1103-S1107 PolarHBondContact O-N 2.86Å; D1103-S1107 PolarHBondContact O-OG 3.07Å; D1103-S1107 VanDerWaalsContact O-OG 3.11Å |
| 1104 | L | 41.1 | Very low | 42 | Very low | 53.2 Ų | 53.2 | 80.4 Ų | 80.4 | 28% | 0.279 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -78.5 | -25.1 | 177.2 | -125 | 120.9 | 0 | 0 | 0 | 112.8 | I1099 S1100 I1101 D1102 S1106 S1107 V1109 T1331 L1339 | I1099-L1104 HydrophobicContact CB-CD1 4.29Å; I1099-L1104 HydrophobicContact CD1-CD1 4.27Å; I1099-L1104 HydrophobicContact CG2-CB 4.48Å; I1099-L1104 HydrophobicContact CG2-CD1 4.19Å; I1099-L1104 HydrophobicContact CG2-CG 4.08Å; S1100-L1104 PolarHBondContact O-N 3.03Å; S1100-L1104 VanDerWaalsContact O-N 3.14Å; I1101-L1104 CarbonylContact O-C 3.59Å; I1101-L1104 WeakPolarHBondContact O-CA 3.48Å; I1101-L1104 VanDerWaalsContact O-CB 3.24Å; I1101-L1104 WeakPolarHBondContact O-CB 3.28Å; I1101-L1104 PolarHBondContact O-N 3.03Å; I1101-L1104 VanDerWaalsContact O-N 3.08Å; D1102-L1104 VanDerWaalsContact C-N 3.27Å; D1102-L1104 PolarHBondContact O-N 2.95Å; L1104-S1106 PolarHBondContact O-N 2.87Å; L1104-S1106 VanDerWaalsContact O-N 3.13Å; L1104-S1107 WeakPolarHBondContact O-CB 3.39Å; L1104-S1107 PolarHBondContact O-N 2.89Å; L1104-S1107 PolarHBondContact O-OG 3.23Å; L1104-V1109 HydrophobicContact CD2-CG2 4.27Å; L1104-V1109 WeakPolarHBondContact O-CG2 3.45Å; L1104-T1331 HydrophobicContact CD1-CG2 3.79Å; L1104-T1331 VanDerWaalsContact CD1-CG2 3.49Å; L1104-T1331 VanDerWaalsContact CD1-OG1 3.3Å; L1104-T1331 WeakPolarHBondContact CD1-OG1 3.4Å; L1104-T1331 HydrophobicContact CD2-CG2 4.17Å; L1104-L1339 HydrophobicContact CD1-CD2 4.34Å; L1104-L1339 HydrophobicContact CG-CD1 4.5Å |
| 1105 | Q | 41.5 | Very low | 42.9 | Very low | 144.2 Ų | 144.2 | 79.5 Ų | 79.5 | 67% | 0.674 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -77.2 | -24.5 | 174.5 | -66.5 | -175.3 | 11.7 | 0 | 0 | 112.3 | I1101 D1102 D1103 S1107 | I1101-Q1105 HydrophobicContact CG2-CG 4.15Å; I1101-Q1105 WeakPolarHBondContact O-CB 3.3Å; I1101-Q1105 WeakPolarHBondContact O-CG 3.09Å; I1101-Q1105 PolarHBondContact O-N 3.11Å; D1102-Q1105 CarbonylContact O-C 3.59Å; D1102-Q1105 PolarHBondContact O-N 3.17Å; D1103-Q1105 VanDerWaalsContact C-N 3.33Å; Q1105-S1107 VanDerWaalsContact C-N 3.29Å; Q1105-S1107 PolarHBondContact O-N 3.27Å |
| 1106 | S | 39.6 | Very low | 44.2 | Very low | 88 Ų | 88 | 77.4 Ų | 77.4 | 62% | 0.615 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.7 | 176.2 | 72.7 | 0 | 0 | 0 | 0 | 113.5 | D1102 D1103 L1104 S1108 | D1102-S1106 WeakPolarHBondContact O-CA 3.48Å; D1102-S1106 WeakPolarHBondContact O-CB 3.37Å; D1102-S1106 PolarHBondContact O-N 3.01Å; D1102-S1106 VanDerWaalsContact O-N 3.07Å; D1102-S1106 PolarHBondContact O-OG 3.04Å; D1103-S1106 WeakPolarHBondContact CA-OG 3.23Å; D1103-S1106 PolarHBondContact O-N 3.43Å; D1103-S1106 PolarHBondContact O-OG 3.01Å; D1103-S1106 PolarHBondContact OD1-OG 3.42Å; L1104-S1106 PolarHBondContact O-N 2.87Å; L1104-S1106 VanDerWaalsContact O-N 3.13Å; S1106-S1108 VanDerWaalsContact C-N 3.31Å; S1106-S1108 PolarHBondContact O-N 3.16Å; S1106-S1108 VanDerWaalsContact O-N 3.09Å |
| 1107 | S | 35.4 | Very low | 45.4 | Very low | 53.8 Ų | 53.8 | 75 Ų | 75 | 38% | 0.376 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -61.6 | 100 | 169.1 | 68.8 | 0 | 0 | 0 | 0 | 111.5 | D1103 L1104 Q1105 V1109 S1110 R1342 | D1103-S1107 WeakPolarHBondContact O-CA 3.41Å; D1103-S1107 WeakPolarHBondContact O-CB 3.27Å; D1103-S1107 PolarHBondContact O-N 2.86Å; D1103-S1107 PolarHBondContact O-OG 3.07Å; D1103-S1107 VanDerWaalsContact O-OG 3.11Å; L1104-S1107 WeakPolarHBondContact O-CB 3.39Å; L1104-S1107 PolarHBondContact O-N 2.89Å; L1104-S1107 PolarHBondContact O-OG 3.23Å; Q1105-S1107 VanDerWaalsContact C-N 3.29Å; Q1105-S1107 PolarHBondContact O-N 3.27Å; S1107-V1109 PolarHBondContact O-N 3.16Å; S1107-S1110 PolarHBondContact O-N 3.19Å; S1107-S1110 VanDerWaalsContact O-N 3.07Å; S1107-S1110 PolarHBondContact O-OG 2.85Å; S1107-R1342 PolarHBondContact OG-NH2 3.39Å |
| 1108 | S | 35.1 | Very low | 46.5 | Very low | 85.6 Ų | 85.6 | 76.4 Ų | 76.4 | 60% | 0.599 | 42% | 0.422 | S | S | * | . | trans | -70.1 | 32.1 | 179.9 | 65 | 0 | 0 | 0 | 0 | 115.5 | K989 S1106 S1110 D1111 | K989-S1108 PolarHBondContact NZ-OG 3.26Å; S1106-S1108 VanDerWaalsContact C-N 3.31Å; S1106-S1108 PolarHBondContact O-N 3.16Å; S1106-S1108 VanDerWaalsContact O-N 3.09Å; S1108-S1110 WeakPolarHBondContact CB-OG 3.34Å; S1108-S1110 PolarHBondContact O-N 3.1Å; S1108-S1110 PolarHBondContact O-OG 2.91Å; S1108-S1110 PolarHBondContact OG-OG 3.48Å; S1108-S1110 VanDerWaalsContact OG-OG 3.05Å; S1108-D1111 WeakPolarHBondContact O-CB 3.38Å; S1108-D1111 PolarHBondContact O-N 3.23Å; S1108-D1111 VanDerWaalsContact O-N 3.09Å | ||
| 1109 | V | 35.7 | Very low | 47.5 | Very low | 81 Ų | 81 | 74.6 Ų | 74.6 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -70.9 | 19.7 | 170.2 | -178 | 0 | 0 | 0 | 0 | 109.8 | L1086 L1104 S1107 D1111 W1112 | L1086-V1109 HydrophobicContact CD1-CB 4.44Å; L1086-V1109 HydrophobicContact CD1-CG1 3.43Å; L1086-V1109 VanDerWaalsContact CD1-CG1 3.43Å; L1086-V1109 HydrophobicContact CD1-CG2 4.05Å; L1104-V1109 HydrophobicContact CD2-CG2 4.27Å; L1104-V1109 WeakPolarHBondContact O-CG2 3.45Å; S1107-V1109 PolarHBondContact O-N 3.16Å; V1109-D1111 VanDerWaalsContact C-N 3.25Å; V1109-D1111 PolarHBondContact O-N 3.34Å; V1109-W1112 PolarHBondContact O-N 3.26Å; V1109-W1112 VanDerWaalsContact O-N 3.12Å |
| 1110 | S | 37.2 | Very low | 48.3 | Very low | 78.8 Ų | 78.8 | 75.4 Ų | 75.4 | 55% | 0.551 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -46 | 17.6 | 168.5 | 51.9 | 0 | 0 | 0 | 0 | 113 | S1107 S1108 W1112 D1113 | S1107-S1110 PolarHBondContact O-N 3.19Å; S1107-S1110 VanDerWaalsContact O-N 3.07Å; S1107-S1110 PolarHBondContact O-OG 2.85Å; S1108-S1110 WeakPolarHBondContact CB-OG 3.34Å; S1108-S1110 PolarHBondContact O-N 3.1Å; S1108-S1110 PolarHBondContact O-OG 2.91Å; S1108-S1110 PolarHBondContact OG-OG 3.48Å; S1108-S1110 VanDerWaalsContact OG-OG 3.05Å; S1110-W1112 VanDerWaalsContact O-CD1 3.31Å; S1110-W1112 PolarHBondContact O-N 3.01Å; S1110-W1112 VanDerWaalsContact O-N 3.08Å; S1110-D1113 PolarHBondContact O-N 3.05Å |
| 1111 | D | 39.1 | Very low | 48.9 | Very low | 92.4 Ų | 92.4 | 75.5 Ų | 75.5 | 49% | 0.494 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -65.8 | 30.5 | 175.2 | -78.3 | -9 | 0 | 0 | 0 | 110.3 | K989 S1108 V1109 D1113 K1326 | K989-D1111 HydrophobicContact CD-CB 4.42Å; K989-D1111 IonicContact NZ-OD2 2.77Å; K989-D1111 PolarHBondContact NZ-OD2 2.92Å; S1108-D1111 WeakPolarHBondContact O-CB 3.38Å; S1108-D1111 PolarHBondContact O-N 3.23Å; S1108-D1111 VanDerWaalsContact O-N 3.09Å; V1109-D1111 VanDerWaalsContact C-N 3.25Å; V1109-D1111 PolarHBondContact O-N 3.34Å; D1111-D1113 VanDerWaalsContact C-N 3.29Å; D1111-D1113 PolarHBondContact O-N 3.22Å; D1111-D1113 VanDerWaalsContact O-N 3.17Å; D1111-K1326 VanDerWaalsContact CG-NZ 3.27Å; D1111-K1326 IonicContact OD1-NZ 3.36Å; D1111-K1326 PolarHBondContact OD1-NZ 3.32Å; D1111-K1326 IonicContact OD2-NZ 3.67Å; D1111-K1326 PolarHBondContact OD2-NZ 2.96Å |
| 1112 | W | 44.9 | Very low | 49.2 | Very low | 136.6 Ų | 136.6 | 79.2 Ų | 79.2 | 52% | 0.517 | 43% | 0.433 | S | S | . | . | trans | -82.4 | 80.8 | 175.3 | -68.4 | 33.1 | 0 | 0 | 0 | 109.2 | V1109 S1110 I1114 F1316 L1319 H1323 | V1109-W1112 PolarHBondContact O-N 3.26Å; V1109-W1112 VanDerWaalsContact O-N 3.12Å; S1110-W1112 VanDerWaalsContact O-CD1 3.31Å; S1110-W1112 PolarHBondContact O-N 3.01Å; S1110-W1112 VanDerWaalsContact O-N 3.08Å; W1112-I1114 VanDerWaalsContact C-N 3.26Å; W1112-I1114 HydrophobicContact CB-CD1 4.39Å; W1112-I1114 HydrophobicContact CB-CG1 4.3Å; W1112-I1114 PolarHBondContact O-N 3.08Å; W1112-F1316 HydrophobicContact CE3-CE2 4.32Å; W1112-F1316 HydrophobicContact CH2-CD2 4.08Å; W1112-F1316 HydrophobicContact CH2-CE2 4.36Å; W1112-F1316 AromaticContact CZ3-CD2 3.62Å; W1112-F1316 HydrophobicContact CZ3-CD2 3.95Å; W1112-F1316 AromaticContact CZ3-CE2 3.7Å; W1112-F1316 HydrophobicContact CZ3-CE2 3.86Å; W1112-L1319 HydrophobicContact CE3-CD1 4.15Å; W1112-L1319 HydrophobicContact CE3-CD2 4.19Å; W1112-L1319 HydrophobicContact CE3-CG 4.09Å; W1112-L1319 HydrophobicContact CH2-CD1 3.72Å; W1112-L1319 HydrophobicContact CH2-CG 4.1Å; W1112-L1319 HydrophobicContact CZ2-CD1 4.35Å; W1112-L1319 HydrophobicContact CZ3-CD1 3.93Å; W1112-L1319 HydrophobicContact CZ3-CD2 4.17Å; W1112-L1319 HydrophobicContact CZ3-CG 3.55Å; W1112-H1323 PolarHBondContact O-CE1 3.39Å | ||
| 1113 | D | 50 | Low | 49.1 | Very low | 121.2 Ų | 121.2 | 79.4 Ų | 79.4 | 65% | 0.648 | 43% | 0.434 | S | S | * | . | trans | -65.3 | 69.9 | 171.1 | -94.9 | -17.4 | 0 | 0 | 0 | 111 | Y925 R996 S1110 D1111 A1115 | Y925-D1113 PolarHBondContact OH-O 2.99Å; Y925-D1113 VanDerWaalsContact OH-O 3.08Å; R996-D1113 PolarHBondContact NH2-O 3.37Å; S1110-D1113 PolarHBondContact O-N 3.05Å; D1111-D1113 VanDerWaalsContact C-N 3.29Å; D1111-D1113 PolarHBondContact O-N 3.22Å; D1111-D1113 VanDerWaalsContact O-N 3.17Å; D1113-A1115 PolarHBondContact O-N 3.11Å; D1113-A1115 VanDerWaalsContact O-N 3.12Å | ||
| 1114 | I | 56.4 | Low | 49.2 | Very low | 27.2 Ų | 27.2 | 83.3 Ų | 83.3 | 14% | 0.139 | 46% | 0.456 | C | S | . | . | trans | -76.9 | 85.6 | 169.8 | -57.5 | 176.2 | 0 | 0 | 0 | 107.2 | Y925 P987 T992 A1061 W1112 Y1116 F1117 L1319 H1323 | Y925-I1114 HydrophobicContact CD2-CG2 4.41Å; Y925-I1114 HydrophobicContact CE2-CG2 3.92Å; Y925-I1114 WeakPolarHBondContact OH-CA 3.49Å; P987-I1114 HydrophobicContact CB-CD1 4.09Å; T992-I1114 HydrophobicContact CG2-CD1 3.49Å; T992-I1114 VanDerWaalsContact CG2-CD1 3.49Å; T992-I1114 HydrophobicContact CG2-CG1 3.64Å; A1061-I1114 HydrophobicContact CB-CG2 4.03Å; W1112-I1114 VanDerWaalsContact C-N 3.26Å; W1112-I1114 HydrophobicContact CB-CD1 4.39Å; W1112-I1114 HydrophobicContact CB-CG1 4.3Å; W1112-I1114 PolarHBondContact O-N 3.08Å; I1114-Y1116 HydrophobicContact CG2-CE1 4.26Å; I1114-Y1116 PolarHBondContact O-N 3.37Å; I1114-Y1116 VanDerWaalsContact O-N 3.12Å; I1114-F1117 HydrophobicContact CG2-CE2 4.35Å; I1114-F1117 WeakPolarHBondContact O-CD2 3.41Å; I1114-L1319 HydrophobicContact CD1-CD2 4.1Å; I1114-H1323 HydrophobicContact CD1-CB 4.46Å | ||
| 1115 | A | 60.2 | Low | 49.3 | Very low | 60.2 Ų | 60.2 | 85.9 Ų | 85.9 | 50% | 0.498 | 47% | 0.473 | S | S | . | . | trans | -65.7 | 108 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y925 D1113 | Y925-A1115 PolarHBondContact OH-N 3.11Å; Y925-A1115 VanDerWaalsContact OH-N 3.09Å; D1113-A1115 PolarHBondContact O-N 3.11Å; D1113-A1115 VanDerWaalsContact O-N 3.12Å | ||
| 1116 | Y | 68 | Low | 49.8 | Very low | 32.6 Ų | 32.6 | 81.9 Ų | 81.9 | 13% | 0.128 | 47% | 0.47 | C | S | . | . | trans | -86.5 | 138.5 | 175.5 | -58.6 | -58.4 | 0 | 0 | 0 | 111.9 | A1061 L1062 A1063 P1064 K1067 I1114 Y1118 E1128 H1323 L1324 H1327 | A1061-Y1116 CarbonylContact O-C 3.58Å; A1061-Y1116 WeakPolarHBondContact O-CA 3.4Å; L1062-Y1116 WeakPolarHBondContact O-CD1 3.42Å; A1063-Y1116 HydrophobicContact CB-CG 4.4Å; P1064-Y1116 VanDerWaalsContact CD-CE2 3.49Å; P1064-Y1116 VanDerWaalsContact CD-CZ 3.48Å; P1064-Y1116 HydrophobicContact CG-CD2 4.32Å; P1064-Y1116 HydrophobicContact CG-CE1 4.31Å; P1064-Y1116 HydrophobicContact CG-CE2 3.98Å; K1067-Y1116 HydrophobicContact CD-CE1 4.11Å; K1067-Y1116 HydrophobicContact CD-CE2 4.06Å; K1067-Y1116 WeakPolarHBondContact CD-OH 3.44Å; K1067-Y1116 HydrophobicContact CG-CE2 4.3Å; K1067-Y1116 WeakPolarHBondContact CG-OH 3.33Å; I1114-Y1116 HydrophobicContact CG2-CE1 4.26Å; I1114-Y1116 PolarHBondContact O-N 3.37Å; I1114-Y1116 VanDerWaalsContact O-N 3.12Å; Y1116-Y1118 VanDerWaalsContact C-N 3.33Å; Y1116-Y1118 HydrophobicContact CD2-CE2 4.4Å; Y1116-Y1118 HydrophobicContact CG-CE2 4.22Å; Y1116-Y1118 VanDerWaalsContact O-CD2 3.29Å; Y1116-Y1118 WeakPolarHBondContact O-CD2 3.38Å; Y1116-Y1118 PolarHBondContact O-N 3.02Å; Y1116-Y1118 VanDerWaalsContact O-N 3.16Å; Y1116-E1128 HydrophobicContact CD1-CG 4.05Å; Y1116-E1128 VanDerWaalsContact CD1-OE1 3.31Å; Y1116-E1128 WeakPolarHBondContact CD1-OE1 3.47Å; Y1116-E1128 WeakPolarHBondContact CD1-OE2 3.46Å; Y1116-E1128 VanDerWaalsContact CE1-OE1 3.3Å; Y1116-E1128 WeakPolarHBondContact CE1-OE1 3Å; Y1116-E1128 VanDerWaalsContact CE1-OE2 3.31Å; Y1116-E1128 WeakPolarHBondContact CE1-OE2 3.19Å; Y1116-H1323 AromaticContact CE1-CD2 3.91Å; Y1116-H1323 AromaticContact CE1-NE2 3.83Å; Y1116-H1323 AromaticContact CZ-CD2 3.9Å; Y1116-H1323 AromaticContact CZ-CE1 4Å; Y1116-H1323 AromaticContact CZ-ND1 3.69Å; Y1116-H1323 AromaticContact CZ-NE2 3.48Å; Y1116-H1323 PolarHBondContact OH-CD2 3.12Å; Y1116-H1323 PolarHBondContact OH-CE1 3.31Å; Y1116-H1323 PolarHBondContact OH-ND1 3.15Å; Y1116-H1323 PolarHBondContact OH-NE2 2.9Å; Y1116-L1324 HydrophobicContact CD1-CD2 4.39Å; Y1116-L1324 HydrophobicContact CE1-CD2 3.82Å; Y1116-H1327 AromaticContact CE2-NE2 3.79Å; Y1116-H1327 AromaticContact CZ-NE2 3.66Å; Y1116-H1327 PolarHBondContact OH-NE2 3.17Å | ||
| 1117 | F | 68.2 | Low | 50.8 | Low | 8 Ų | 8 | 81.2 Ų | 81.2 | 4% | 0.035 | 46% | 0.458 | C | S | . | . | B | Isolated β-bridge | trans | -78.2 | 95.6 | 167.3 | -161.7 | -97.4 | 0 | 0 | 0 | 109.5 | T923 T992 A995 R996 V999 L1058 A1061 L1062 A1063 I1114 M1119 L1129 | T923-F1117 HydrophobicContact CG2-CD2 3.83Å; T923-F1117 HydrophobicContact CG2-CE2 3.98Å; T923-F1117 HydrophobicContact CG2-CG 4.25Å; T923-F1117 HydrophobicContact CG2-CZ 4.34Å; T992-F1117 HydrophobicContact CG2-CD2 4.48Å; A995-F1117 HydrophobicContact CB-CE2 3.81Å; A995-F1117 HydrophobicContact CB-CZ 4.12Å; R996-F1117 HydrophobicContact CB-CE1 4.22Å; R996-F1117 HydrophobicContact CB-CZ 4.36Å; R996-F1117 HydrophobicContact CG-CD1 4.45Å; R996-F1117 HydrophobicContact CG-CE1 4.49Å; R996-F1117 HydrophobicContact CG-CE2 3.69Å; R996-F1117 HydrophobicContact CG-CZ 3.59Å; V999-F1117 HydrophobicContact CB-CD1 4.05Å; V999-F1117 HydrophobicContact CB-CE1 4.12Å; V999-F1117 HydrophobicContact CG1-CD1 3.96Å; V999-F1117 HydrophobicContact CG1-CG 4.45Å; V999-F1117 HydrophobicContact CG2-CD1 3.91Å; V999-F1117 HydrophobicContact CG2-CE1 4.16Å; V999-F1117 HydrophobicContact CG2-CZ 4.34Å; L1058-F1117 HydrophobicContact CD2-CD1 4.44Å; L1058-F1117 HydrophobicContact CD2-CE1 4.38Å; L1058-F1117 HydrophobicContact CD2-CE2 3.82Å; L1058-F1117 HydrophobicContact CD2-CZ 4.04Å; A1061-F1117 HydrophobicContact CB-CB 3.97Å; A1061-F1117 WeakPolarHBondContact O-CB 3.29Å; A1061-F1117 PolarHBondContact O-N 3.2Å; L1062-F1117 HydrophobicContact CD2-CD1 4.08Å; L1062-F1117 HydrophobicContact CD2-CD2 4.15Å; A1063-F1117 PolarHBondContact N-O 3.06Å; I1114-F1117 HydrophobicContact CG2-CE2 4.35Å; I1114-F1117 WeakPolarHBondContact O-CD2 3.41Å; F1117-M1119 HydrophobicContact CD1-CB 4.41Å; F1117-M1119 HydrophobicContact CE1-CB 4.08Å; F1117-M1119 HydrophobicContact CE1-CG 4.48Å; F1117-M1119 HydrophobicContact CE1-SD 3.91Å; F1117-M1119 HydrophobicContact CZ-SD 4.01Å; F1117-L1129 HydrophobicContact CB-CB 3.7Å; F1117-L1129 HydrophobicContact CB-CD2 3.76Å; F1117-L1129 HydrophobicContact CB-CG 4.36Å; F1117-L1129 HydrophobicContact CD2-CD2 4.21Å; F1117-L1129 HydrophobicContact CG-CD2 4.12Å; F1117-L1129 VanDerWaalsContact O-CB 3.26Å; F1117-L1129 WeakPolarHBondContact O-CB 3.38Å; F1117-L1129 PolarHBondContact O-N 2.97Å |
| 1118 | Y | 67 | Low | 52.7 | Low | 115.8 Ų | 115.8 | 81 Ų | 81 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | trans | -82.4 | 129.3 | 174.3 | -66.9 | -78.1 | 0 | 0 | 0 | 111.4 | A1063 K1067 Y1116 G1126 E1128 | A1063-Y1118 HydrophobicContact CB-CD1 3.87Å; A1063-Y1118 HydrophobicContact CB-CE1 3.75Å; A1063-Y1118 HydrophobicContact CB-CG 4.41Å; K1067-Y1118 PolarHBondContact NZ-OH 2.77Å; K1067-Y1118 VanDerWaalsContact NZ-OH 3.16Å; Y1116-Y1118 VanDerWaalsContact C-N 3.33Å; Y1116-Y1118 HydrophobicContact CD2-CE2 4.4Å; Y1116-Y1118 HydrophobicContact CG-CE2 4.22Å; Y1116-Y1118 VanDerWaalsContact O-CD2 3.29Å; Y1116-Y1118 WeakPolarHBondContact O-CD2 3.38Å; Y1116-Y1118 PolarHBondContact O-N 3.02Å; Y1116-Y1118 VanDerWaalsContact O-N 3.16Å; Y1118-G1126 VanDerWaalsContact CD1-O 3.32Å; Y1118-G1126 WeakPolarHBondContact CD1-O 3.25Å; Y1118-G1126 WeakPolarHBondContact CE1-O 3.47Å; Y1118-E1128 HydrophobicContact CE1-CG 4.04Å | ||
| 1119 | M | 65.2 | Low | 54.9 | Low | 20.2 Ų | 20.2 | 77 Ų | 77 | 10% | 0.1 | 42% | 0.423 | C | S | . | . | trans | -130.7 | 88.4 | 176.7 | -152 | 111.5 | -168.2 | 0 | 0 | 111.6 | R996 V999 R1000 H1004 M1007 F1117 S1121 E1127 L1129 | R996-M1119 HydrophobicContact CB-CE 4.31Å; R996-M1119 HydrophobicContact CB-SD 4.24Å; R996-M1119 HydrophobicContact CG-SD 4.04Å; R996-M1119 WeakPolarHBondContact O-CE 3.22Å; V999-M1119 HydrophobicContact CB-CE 3.77Å; V999-M1119 HydrophobicContact CB-SD 3.71Å; V999-M1119 VanDerWaalsContact CB-SD 3.54Å; V999-M1119 HydrophobicContact CG1-CE 3.88Å; V999-M1119 HydrophobicContact CG1-CG 3.96Å; V999-M1119 HydrophobicContact CG1-SD 3.33Å; V999-M1119 WeakPolarHBondContact CG1-SD 3.29Å; V999-M1119 HydrophobicContact CG2-SD 4.31Å; R1000-M1119 HydrophobicContact CB-CE 4.33Å; R1000-M1119 HydrophobicContact CG-CE 3.33Å; H1004-M1119 HydrophobicContact CB-CE 3.69Å; H1004-M1119 HydrophobicContact CB-SD 3.93Å; H1004-M1119 VanDerWaalsContact CE1-CE 3.47Å; H1004-M1119 WeakPolarHBondContact CE1-CE 3.42Å; H1004-M1119 PolarHBondContact ND1-SD 2.95Å; H1004-M1119 VanDerWaalsContact ND1-SD 3.36Å; M1007-M1119 HydrophobicContact CE-CE 3.72Å; M1007-M1119 HydrophobicContact SD-CE 3.32Å; M1007-M1119 WeakPolarHBondContact SD-CE 3.15Å; F1117-M1119 HydrophobicContact CD1-CB 4.41Å; F1117-M1119 HydrophobicContact CE1-CB 4.08Å; F1117-M1119 HydrophobicContact CE1-CG 4.48Å; F1117-M1119 HydrophobicContact CE1-SD 3.91Å; F1117-M1119 HydrophobicContact CZ-SD 4.01Å; M1119-S1121 VanDerWaalsContact C-N 3.32Å; M1119-S1121 PolarHBondContact O-N 3.24Å; M1119-E1127 PolarHBondContact N-O 3.1Å; M1119-L1129 HydrophobicContact CB-CB 4.31Å; M1119-L1129 HydrophobicContact CE-CD1 3.71Å; M1119-L1129 HydrophobicContact CG-CD1 4.4Å; M1119-L1129 PolarHBondContact O-N 3.07Å | ||
| 1120 | S | 59 | Low | 57.2 | Low | 62.4 Ų | 62.4 | 73.9 Ų | 73.9 | 44% | 0.436 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -84.3 | 131.2 | 173.1 | 56 | 0 | 0 | 0 | 0 | 111.2 | H1004 K1122 N1123 G1126 E1127 | H1004-S1120 PolarHBondContact NE2-O 3.38Å; S1120-K1122 WeakPolarHBondContact CB-O 3.3Å; S1120-K1122 PolarHBondContact O-N 3.18Å; S1120-K1122 PolarHBondContact OG-O 2.8Å; S1120-N1123 WeakPolarHBondContact CB-O 3.48Å; S1120-N1123 PolarHBondContact OG-O 3.28Å; S1120-G1126 WeakPolarHBondContact OG-CA 3.24Å; S1120-G1126 PolarHBondContact OG-N 3.1Å; S1120-E1127 VanDerWaalsContact CA-O 3.3Å; S1120-E1127 WeakPolarHBondContact CA-O 3.46Å |
| 1121 | S | 52.1 | Low | 59.3 | Low | 45.4 Ų | 45.4 | 72.4 Ų | 72.4 | 32% | 0.317 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -81.7 | -8.6 | 178.5 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | R1000 H1004 M1119 N1123 E1127 T1132 | R1000-S1121 PolarHBondContact NE-OG 2.9Å; R1000-S1121 VanDerWaalsContact NE-OG 3.11Å; R1000-S1121 PolarHBondContact NH2-OG 2.92Å; H1004-S1121 PolarHBondContact CD2-O 3.17Å; H1004-S1121 WeakPolarHBondContact NE2-CA 3.37Å; H1004-S1121 PolarHBondContact NE2-O 3.01Å; M1119-S1121 VanDerWaalsContact C-N 3.32Å; M1119-S1121 PolarHBondContact O-N 3.24Å; S1121-N1123 PolarHBondContact O-N 3.24Å; S1121-E1127 PolarHBondContact N-O 3.09Å; S1121-E1127 VanDerWaalsContact N-O 3.15Å; S1121-T1132 WeakPolarHBondContact CB-OG1 3.26Å; S1121-T1132 VanDerWaalsContact OG-CG2 3.3Å; S1121-T1132 WeakPolarHBondContact OG-CG2 3.39Å; S1121-T1132 PolarHBondContact OG-OG1 2.95Å |
| 1122 | K | 50.8 | Low | 61.4 | Low | 156 Ų | 156 | 68.8 Ų | 68.8 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -135.6 | 77.7 | 176.1 | -73.4 | 178.4 | 179.4 | 178.2 | 0 | 113 | K1008 S1120 | K1008-K1122 VanDerWaalsContact CE-NZ 3.28Å; S1120-K1122 WeakPolarHBondContact CB-O 3.3Å; S1120-K1122 PolarHBondContact O-N 3.18Å; S1120-K1122 PolarHBondContact OG-O 2.8Å |
| 1123 | N | 42.1 | Very low | 63.3 | Low | 123.8 Ų | 123.8 | 62.3 Ų | 62.3 | 66% | 0.662 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -100.4 | 141.8 | 169 | -61.9 | -11.6 | 0 | 0 | 0 | 108.1 | S1120 S1121 V1125 | S1120-N1123 WeakPolarHBondContact CB-O 3.48Å; S1120-N1123 PolarHBondContact OG-O 3.28Å; S1121-N1123 PolarHBondContact O-N 3.24Å; N1123-V1125 CarbonylContact O-C 3.54Å; N1123-V1125 VanDerWaalsContact O-C 3.28Å; N1123-V1125 PolarHBondContact O-N 2.99Å |
| 1124 | D | 44.9 | Very low | 65 | Low | 163.8 Ų | 163.8 | 56.6 Ų | 56.6 | 88% | 0.876 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -31.8 | -15.9 | 179.8 | -59.1 | -41.5 | 0 | 0 | 0 | 116.8 | G1126 | D1124-G1126 PolarHBondContact O-N 3.38Š|
| 1125 | V | 43.2 | Very low | 66.5 | Low | 106.6 Ų | 106.6 | 58.8 Ų | 58.8 | 65% | 0.646 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -103.6 | 96.6 | 166.4 | -163.9 | 0 | 0 | 0 | 0 | 107.7 | N1123 E1127 | N1123-V1125 CarbonylContact O-C 3.54Å; N1123-V1125 VanDerWaalsContact O-C 3.28Å; N1123-V1125 PolarHBondContact O-N 2.99Å; V1125-E1127 HydrophobicContact CB-CG 4.18Å; V1125-E1127 HydrophobicContact CG1-CG 4.01Å; V1125-E1127 PolarHBondContact O-N 3.18Å |
| 1126 | G | 51.2 | Low | 67.8 | Low | 59.6 Ų | 59.6 | 56.1 Ų | 56.1 | 61% | 0.614 | 30% | 0.298 | S | S | * | . | trans | -73.4 | 57.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1118 S1120 D1124 E1128 | Y1118-G1126 VanDerWaalsContact CD1-O 3.32Å; Y1118-G1126 WeakPolarHBondContact CD1-O 3.25Å; Y1118-G1126 WeakPolarHBondContact CE1-O 3.47Å; S1120-G1126 WeakPolarHBondContact OG-CA 3.24Å; S1120-G1126 PolarHBondContact OG-N 3.1Å; D1124-G1126 PolarHBondContact O-N 3.38Å; G1126-E1128 PolarHBondContact O-N 3.16Å | ||
| 1127 | E | 61.3 | Low | 68.7 | Low | 74.8 Ų | 74.8 | 54.6 Ų | 54.6 | 35% | 0.35 | 29% | 0.292 | S | S | . | . | trans | -68.3 | 131.3 | 173.4 | -62 | -160.3 | 162.9 | 0 | 0 | 110.7 | M1119 S1120 S1121 V1125 T1132 K1135 | M1119-E1127 PolarHBondContact N-O 3.1Å; S1120-E1127 VanDerWaalsContact CA-O 3.3Å; S1120-E1127 WeakPolarHBondContact CA-O 3.46Å; S1121-E1127 PolarHBondContact N-O 3.09Å; S1121-E1127 VanDerWaalsContact N-O 3.15Å; V1125-E1127 HydrophobicContact CB-CG 4.18Å; V1125-E1127 HydrophobicContact CG1-CG 4.01Å; V1125-E1127 PolarHBondContact O-N 3.18Å; E1127-T1132 HydrophobicContact CB-CG2 3.8Å; E1127-T1132 HydrophobicContact CG-CG2 4.43Å; E1127-T1132 VanDerWaalsContact OE2-CG2 3.32Å; E1127-T1132 WeakPolarHBondContact OE2-CG2 3.41Å; E1127-K1135 IonicContact OE1-NZ 3.05Å; E1127-K1135 PolarHBondContact OE1-NZ 3.15Å; E1127-K1135 IonicContact OE2-NZ 3.32Å; E1127-K1135 PolarHBondContact OE2-NZ 3.18Å | ||
| 1128 | E | 75.8 | Confident | 69.7 | Low | 48 Ų | 48 | 54.9 Ų | 54.9 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -70.6 | 144.9 | 176.4 | -60.8 | -171.4 | 159.9 | 0 | 0 | 111.1 | A1063 K1067 Y1116 Y1118 G1126 R1130 E1131 T1132 | A1063-E1128 VanDerWaalsContact CB-CD 3.49Å; A1063-E1128 WeakPolarHBondContact CB-OE1 3.31Å; A1063-E1128 VanDerWaalsContact CB-OE2 3.26Å; A1063-E1128 WeakPolarHBondContact CB-OE2 3.44Å; K1067-E1128 IonicContact NZ-OE1 2.66Å; K1067-E1128 PolarHBondContact NZ-OE1 2.98Å; Y1116-E1128 HydrophobicContact CD1-CG 4.05Å; Y1116-E1128 VanDerWaalsContact CD1-OE1 3.31Å; Y1116-E1128 WeakPolarHBondContact CD1-OE1 3.47Å; Y1116-E1128 WeakPolarHBondContact CD1-OE2 3.46Å; Y1116-E1128 VanDerWaalsContact CE1-OE1 3.3Å; Y1116-E1128 WeakPolarHBondContact CE1-OE1 3Å; Y1116-E1128 VanDerWaalsContact CE1-OE2 3.31Å; Y1116-E1128 WeakPolarHBondContact CE1-OE2 3.19Å; Y1118-E1128 HydrophobicContact CE1-CG 4.04Å; G1126-E1128 PolarHBondContact O-N 3.16Å; E1128-R1130 PolarHBondContact O-N 3.25Å; E1128-R1130 VanDerWaalsContact O-N 3.12Å; E1128-E1131 HydrophobicContact CB-CG 4.37Å; E1128-E1131 WeakPolarHBondContact O-CB 3.41Å; E1128-E1131 PolarHBondContact O-N 3.16Å; E1128-E1131 VanDerWaalsContact O-N 3.12Å; E1128-T1132 PolarHBondContact O-N 3.01Å; E1128-T1132 VanDerWaalsContact O-N 3.13Å; E1128-T1132 PolarHBondContact O-OG1 3.13Å |
| 1129 | L | 81.2 | Confident | 70.8 | Confident | 3.2 Ų | 3.2 | 54 Ų | 54 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -52.1 | -35.5 | -179.7 | -174.9 | 71 | 0 | 0 | 0 | 113.3 | V999 L1003 M1007 M1055 L1058 L1062 F1117 M1119 T1132 A1133 | V999-L1129 HydrophobicContact CG1-CD1 4.42Å; V999-L1129 HydrophobicContact CG1-CD2 4.2Å; L1003-L1129 HydrophobicContact CD2-CD1 3.85Å; L1003-L1129 HydrophobicContact CD2-CD2 3.76Å; L1003-L1129 HydrophobicContact CD2-CG 4.25Å; L1003-L1129 HydrophobicContact CG-CD1 4.46Å; M1007-L1129 HydrophobicContact CE-CD1 4.18Å; M1007-L1129 HydrophobicContact CE-CG 4.25Å; M1007-L1129 HydrophobicContact SD-CD1 3.94Å; M1055-L1129 HydrophobicContact SD-CD2 4.33Å; M1055-L1129 HydrophobicContact SD-CG 4.41Å; L1058-L1129 HydrophobicContact CD1-CD2 3.81Å; L1062-L1129 HydrophobicContact CD1-CD2 4.34Å; L1062-L1129 HydrophobicContact CD2-CB 4.03Å; L1062-L1129 HydrophobicContact CD2-CD2 3.77Å; L1062-L1129 HydrophobicContact CD2-CG 4.43Å; F1117-L1129 HydrophobicContact CB-CB 3.7Å; F1117-L1129 HydrophobicContact CB-CD2 3.76Å; F1117-L1129 HydrophobicContact CB-CG 4.36Å; F1117-L1129 HydrophobicContact CD2-CD2 4.21Å; F1117-L1129 HydrophobicContact CG-CD2 4.12Å; F1117-L1129 VanDerWaalsContact O-CB 3.26Å; F1117-L1129 WeakPolarHBondContact O-CB 3.38Å; F1117-L1129 PolarHBondContact O-N 2.97Å; M1119-L1129 HydrophobicContact CB-CB 4.31Å; M1119-L1129 HydrophobicContact CE-CD1 3.71Å; M1119-L1129 HydrophobicContact CG-CD1 4.4Å; M1119-L1129 PolarHBondContact O-N 3.07Å; L1129-T1132 VanDerWaalsContact CA-OG1 3.3Å; L1129-T1132 WeakPolarHBondContact CA-OG1 3.37Å; L1129-T1132 PolarHBondContact O-N 3Å; L1129-T1132 PolarHBondContact O-OG1 3.16Å; L1129-A1133 WeakPolarHBondContact O-CB 3.37Å; L1129-A1133 PolarHBondContact O-N 3.1Å; L1129-A1133 VanDerWaalsContact O-N 3.08Å |
| 1130 | R | 82.9 | Confident | 71.9 | Confident | 15.6 Ų | 15.6 | 53.1 Ų | 53.1 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 178.4 | -171.4 | 175.3 | -87.8 | -178.7 | -0.6 | 112.3 | S1059 L1062 A1063 R1065 E1128 L1134 A1217 N1220 | S1059-R1130 PolarHBondContact O-NH2 3.04Å; L1062-R1130 HydrophobicContact CD1-CB 4.45Å; L1062-R1130 PolarHBondContact O-NH2 3.04Å; L1062-R1130 VanDerWaalsContact O-NH2 3.16Å; A1063-R1130 PolarHBondContact O-NE 3.31Å; R1065-R1130 HydrophobicContact CG-CB 4.24Å; R1065-R1130 HydrophobicContact CG-CG 3.96Å; E1128-R1130 PolarHBondContact O-N 3.25Å; E1128-R1130 VanDerWaalsContact O-N 3.12Å; R1130-L1134 WeakPolarHBondContact O-CB 3.26Å; R1130-L1134 PolarHBondContact O-N 2.89Å; R1130-L1134 VanDerWaalsContact O-N 3.11Å; R1130-A1217 HydrophobicContact CG-CB 3.99Å; R1130-N1220 WeakPolarHBondContact CD-OD1 3.37Å; R1130-N1220 VanDerWaalsContact NH1-CA 3.31Å; R1130-N1220 VanDerWaalsContact NH1-CB 3.26Å; R1130-N1220 PolarHBondContact NH1-OD1 3.05Å |
| 1131 | E | 82.1 | Confident | 73.3 | Confident | 46.4 Ų | 46.4 | 50.1 Ų | 50.1 | 22% | 0.217 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 177.5 | -158.6 | 74.5 | -157.9 | 0 | 0 | 111.3 | R1065 E1128 A1133 L1134 K1135 | R1065-E1131 IonicContact CZ-OE2 3.05Å; R1065-E1131 VanDerWaalsContact CZ-OE2 3.29Å; R1065-E1131 IonicContact NE-OE2 3.28Å; R1065-E1131 PolarHBondContact NE-OE2 3.12Å; R1065-E1131 IonicContact NH2-OE1 2.77Å; R1065-E1131 IonicContact NH2-OE2 3.32Å; R1065-E1131 PolarHBondContact NH2-OE2 3.11Å; E1128-E1131 HydrophobicContact CB-CG 4.37Å; E1128-E1131 WeakPolarHBondContact O-CB 3.41Å; E1128-E1131 PolarHBondContact O-N 3.16Å; E1128-E1131 VanDerWaalsContact O-N 3.12Å; E1131-A1133 PolarHBondContact O-N 3.18Å; E1131-L1134 WeakPolarHBondContact O-CB 3.33Å; E1131-L1134 PolarHBondContact O-N 3.32Å; E1131-K1135 HydrophobicContact CG-CD 4.47Å; E1131-K1135 WeakPolarHBondContact O-CB 3.5Å; E1131-K1135 VanDerWaalsContact O-CG 3.24Å; E1131-K1135 WeakPolarHBondContact O-CG 3.4Å; E1131-K1135 PolarHBondContact O-N 3.12Å; E1131-K1135 WeakPolarHBondContact OE1-CE 3.21Å; E1131-K1135 IonicContact OE2-NZ 2.62Å; E1131-K1135 PolarHBondContact OE2-NZ 3.26Å |
| 1132 | T | 82.5 | Confident | 75 | Confident | 17.2 Ų | 17.2 | 50.3 Ų | 50.3 | 11% | 0.106 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 177.4 | 40.4 | 0 | 0 | 0 | 0 | 111.9 | M1007 S1121 E1127 E1128 L1129 L1134 K1135 I1136 | M1007-T1132 HydrophobicContact CE-CG2 3.31Å; M1007-T1132 VanDerWaalsContact CE-OG1 3.29Å; M1007-T1132 WeakPolarHBondContact CE-OG1 3.36Å; S1121-T1132 WeakPolarHBondContact CB-OG1 3.26Å; S1121-T1132 VanDerWaalsContact OG-CG2 3.3Å; S1121-T1132 WeakPolarHBondContact OG-CG2 3.39Å; S1121-T1132 PolarHBondContact OG-OG1 2.95Å; E1127-T1132 HydrophobicContact CB-CG2 3.8Å; E1127-T1132 HydrophobicContact CG-CG2 4.43Å; E1127-T1132 VanDerWaalsContact OE2-CG2 3.32Å; E1127-T1132 WeakPolarHBondContact OE2-CG2 3.41Å; E1128-T1132 PolarHBondContact O-N 3.01Å; E1128-T1132 VanDerWaalsContact O-N 3.13Å; E1128-T1132 PolarHBondContact O-OG1 3.13Å; L1129-T1132 VanDerWaalsContact CA-OG1 3.3Å; L1129-T1132 WeakPolarHBondContact CA-OG1 3.37Å; L1129-T1132 PolarHBondContact O-N 3Å; L1129-T1132 PolarHBondContact O-OG1 3.16Å; T1132-L1134 VanDerWaalsContact C-N 3.33Å; T1132-L1134 PolarHBondContact O-N 3.11Å; T1132-K1135 PolarHBondContact O-N 3.37Å; T1132-I1136 HydrophobicContact CG2-CD1 4.26Å; T1132-I1136 VanDerWaalsContact O-CG1 3.26Å; T1132-I1136 WeakPolarHBondContact O-CG1 3.29Å; T1132-I1136 PolarHBondContact O-N 3.17Å; T1132-I1136 VanDerWaalsContact O-N 3.08Å |
| 1133 | A | 85 | Confident | 76.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1007 M1051 M1055 L1129 E1131 I1136 G1137 | M1007-A1133 HydrophobicContact CE-CB 4.17Å; M1051-A1133 HydrophobicContact CE-CB 3.66Å; M1055-A1133 HydrophobicContact CE-CB 3.51Å; M1055-A1133 VanDerWaalsContact CE-CB 3.48Å; M1055-A1133 HydrophobicContact CG-CB 4.39Å; M1055-A1133 HydrophobicContact SD-CB 3.85Å; L1129-A1133 WeakPolarHBondContact O-CB 3.37Å; L1129-A1133 PolarHBondContact O-N 3.1Å; L1129-A1133 VanDerWaalsContact O-N 3.08Å; E1131-A1133 PolarHBondContact O-N 3.18Å; A1133-I1136 PolarHBondContact O-N 3.2Å; A1133-G1137 PolarHBondContact O-N 3.2Å |
| 1134 | L | 86.6 | Confident | 78.6 | Confident | 2.2 Ų | 2.2 | 37.4 Ų | 37.4 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 175.4 | 179.4 | 63.2 | 0 | 0 | 0 | 111.8 | R1065 R1130 E1131 T1132 I1136 G1137 L1138 T1214 A1217 L1218 E1355 | R1065-L1134 VanDerWaalsContact NE-CD2 3.34Å; R1065-L1134 VanDerWaalsContact NH1-CD2 3.32Å; R1065-L1134 VanDerWaalsContact NH2-CD2 3.31Å; R1130-L1134 WeakPolarHBondContact O-CB 3.26Å; R1130-L1134 PolarHBondContact O-N 2.89Å; R1130-L1134 VanDerWaalsContact O-N 3.11Å; E1131-L1134 WeakPolarHBondContact O-CB 3.33Å; E1131-L1134 PolarHBondContact O-N 3.32Å; T1132-L1134 VanDerWaalsContact C-N 3.33Å; T1132-L1134 PolarHBondContact O-N 3.11Å; L1134-I1136 PolarHBondContact O-N 3.02Å; L1134-G1137 PolarHBondContact O-N 3.17Å; L1134-L1138 HydrophobicContact CD1-CD1 3.89Å; L1134-L1138 HydrophobicContact CD1-CG 4Å; L1134-L1138 HydrophobicContact CD2-CD1 4.48Å; L1134-L1138 HydrophobicContact CG-CD1 3.89Å; L1134-L1138 HydrophobicContact CG-CG 4.36Å; L1134-L1138 WeakPolarHBondContact O-CB 3.34Å; L1134-L1138 WeakPolarHBondContact O-CG 3.27Å; L1134-L1138 PolarHBondContact O-N 3.17Å; L1134-T1214 HydrophobicContact CD1-CG2 3.82Å; L1134-T1214 WeakPolarHBondContact CD1-O 3.49Å; L1134-A1217 HydrophobicContact CB-CB 4Å; L1134-A1217 HydrophobicContact CD1-CB 4.5Å; L1134-L1218 HydrophobicContact CD1-CB 3.85Å; L1134-L1218 HydrophobicContact CD1-CD1 3.88Å; L1134-L1218 HydrophobicContact CD1-CG 4.47Å; L1134-L1218 HydrophobicContact CD2-CD1 4.05Å; L1134-E1355 HydrophobicContact CD2-CB 4.27Å; L1134-E1355 HydrophobicContact CD2-CG 4.28Å |
| 1135 | K | 86.7 | Confident | 80.4 | Confident | 72 Ų | 72 | 29.6 Ų | 29.6 | 31% | 0.313 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60 | -44.6 | 179.3 | -73.3 | 173.7 | -175.3 | 172.5 | 0 | 112.1 | E1127 E1131 T1132 K1139 | E1127-K1135 IonicContact OE1-NZ 3.05Å; E1127-K1135 PolarHBondContact OE1-NZ 3.15Å; E1127-K1135 IonicContact OE2-NZ 3.32Å; E1127-K1135 PolarHBondContact OE2-NZ 3.18Å; E1131-K1135 HydrophobicContact CG-CD 4.47Å; E1131-K1135 WeakPolarHBondContact O-CB 3.5Å; E1131-K1135 VanDerWaalsContact O-CG 3.24Å; E1131-K1135 WeakPolarHBondContact O-CG 3.4Å; E1131-K1135 PolarHBondContact O-N 3.12Å; E1131-K1135 WeakPolarHBondContact OE1-CE 3.21Å; E1131-K1135 IonicContact OE2-NZ 2.62Å; E1131-K1135 PolarHBondContact OE2-NZ 3.26Å; T1132-K1135 PolarHBondContact O-N 3.37Å; K1135-K1139 VanDerWaalsContact O-CB 3.29Å; K1135-K1139 WeakPolarHBondContact O-CB 3.26Å; K1135-K1139 VanDerWaalsContact O-CG 3.26Å; K1135-K1139 WeakPolarHBondContact O-CG 3.34Å; K1135-K1139 PolarHBondContact O-N 3.04Å; K1135-K1139 VanDerWaalsContact O-N 3.1Å |
| 1136 | I | 87.1 | Confident | 82.2 | Confident | 4.6 Ų | 4.6 | 27.9 Ų | 27.9 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 177.7 | -67.8 | 171.9 | 0 | 0 | 0 | 110.6 | M1007 L1010 E1011 T1132 A1133 L1134 K1139 L1140 | M1007-I1136 HydrophobicContact CB-CD1 3.75Å; M1007-I1136 HydrophobicContact CE-CD1 3.58Å; M1007-I1136 VanDerWaalsContact CE-CD1 3.49Å; M1007-I1136 HydrophobicContact CG-CD1 3.95Å; M1007-I1136 HydrophobicContact SD-CD1 4.48Å; L1010-I1136 HydrophobicContact CB-CG2 4.06Å; E1011-I1136 HydrophobicContact CG-CD1 3.92Å; E1011-I1136 HydrophobicContact CG-CG1 3.84Å; T1132-I1136 HydrophobicContact CG2-CD1 4.26Å; T1132-I1136 VanDerWaalsContact O-CG1 3.26Å; T1132-I1136 WeakPolarHBondContact O-CG1 3.29Å; T1132-I1136 PolarHBondContact O-N 3.17Å; T1132-I1136 VanDerWaalsContact O-N 3.08Å; A1133-I1136 PolarHBondContact O-N 3.2Å; L1134-I1136 PolarHBondContact O-N 3.02Å; I1136-K1139 PolarHBondContact O-N 3.1Å; I1136-L1140 HydrophobicContact CG2-CD1 3.92Å; I1136-L1140 PolarHBondContact O-N 3.3Å |
| 1137 | G | 88.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1133 L1134 L1140 L1141 T1214 | A1133-G1137 PolarHBondContact O-N 3.2Å; L1134-G1137 PolarHBondContact O-N 3.17Å; G1137-L1140 PolarHBondContact O-N 3.06Å; G1137-L1141 WeakPolarHBondContact O-CB 3.27Å; G1137-L1141 VanDerWaalsContact O-CG 3.3Å; G1137-L1141 WeakPolarHBondContact O-CG 3.28Å; G1137-L1141 PolarHBondContact O-N 3.34Å; G1137-T1214 VanDerWaalsContact CA-OG1 3.25Å; G1137-T1214 WeakPolarHBondContact CA-OG1 3.14Å |
| 1138 | L | 88.8 | Confident | 84.1 | Confident | 15.6 Ų | 15.6 | 21.7 Ų | 21.7 | 8% | 0.082 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.1 | -71.1 | 174.8 | 0 | 0 | 0 | 112.3 | L1134 L1140 L1141 D1142 T1214 E1355 F1359 I1362 | L1134-L1138 HydrophobicContact CD1-CD1 3.89Å; L1134-L1138 HydrophobicContact CD1-CG 4Å; L1134-L1138 HydrophobicContact CD2-CD1 4.48Å; L1134-L1138 HydrophobicContact CG-CD1 3.89Å; L1134-L1138 HydrophobicContact CG-CG 4.36Å; L1134-L1138 WeakPolarHBondContact O-CB 3.34Å; L1134-L1138 WeakPolarHBondContact O-CG 3.27Å; L1134-L1138 PolarHBondContact O-N 3.17Å; L1138-L1140 VanDerWaalsContact C-N 3.34Å; L1138-L1140 PolarHBondContact O-N 3.18Å; L1138-L1141 PolarHBondContact O-N 3.09Å; L1138-D1142 VanDerWaalsContact O-CB 3.25Å; L1138-D1142 WeakPolarHBondContact O-CB 3.42Å; L1138-D1142 PolarHBondContact O-N 3.03Å; L1138-T1214 HydrophobicContact CD2-CG2 3.86Å; L1138-T1214 HydrophobicContact CG-CG2 4.04Å; L1138-E1355 HydrophobicContact CD1-CB 3.92Å; L1138-E1355 HydrophobicContact CD1-CG 4.3Å; L1138-F1359 HydrophobicContact CD2-CB 3.79Å; L1138-F1359 HydrophobicContact CD2-CD2 3.82Å; L1138-F1359 HydrophobicContact CD2-CG 4.23Å; L1138-I1362 HydrophobicContact CD2-CD1 4.42Å |
| 1139 | K | 89 | Confident | 83.9 | Confident | 97 Ų | 97 | 24.4 Ų | 24.4 | 42% | 0.422 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -58 | -48.9 | 177.2 | -81.2 | 178.1 | -180 | -177.7 | 0 | 111.9 | H1014 K1135 I1136 D1142 V1143 | H1014-K1139 PolarHBondContact CD2-O 3.05Å; K1135-K1139 VanDerWaalsContact O-CB 3.29Å; K1135-K1139 WeakPolarHBondContact O-CB 3.26Å; K1135-K1139 VanDerWaalsContact O-CG 3.26Å; K1135-K1139 WeakPolarHBondContact O-CG 3.34Å; K1135-K1139 PolarHBondContact O-N 3.04Å; K1135-K1139 VanDerWaalsContact O-N 3.1Å; I1136-K1139 PolarHBondContact O-N 3.1Å; K1139-D1142 PolarHBondContact O-N 3.27Å; K1139-V1143 WeakPolarHBondContact O-CG2 3.38Å; K1139-V1143 PolarHBondContact O-N 3.26Å; K1139-V1143 VanDerWaalsContact O-N 3.15Å |
| 1140 | L | 88.4 | Confident | 83.2 | Confident | 0.2 Ų | 0.2 | 28.2 Ų | 28.2 | 0% | 0.001 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 179.3 | -78.6 | 168 | 0 | 0 | 0 | 112 | L1010 I1013 H1014 L1017 F1044 I1136 G1137 L1138 D1142 V1143 I1144 L1210 | L1010-L1140 HydrophobicContact CB-CD1 4.17Å; L1010-L1140 HydrophobicContact CD2-CD1 4.11Å; I1013-L1140 HydrophobicContact CG2-CD2 4.37Å; H1014-L1140 HydrophobicContact CB-CD2 3.69Å; H1014-L1140 HydrophobicContact CB-CG 4.18Å; L1017-L1140 HydrophobicContact CD1-CD2 4.32Å; F1044-L1140 HydrophobicContact CE2-CD1 4.45Å; F1044-L1140 HydrophobicContact CE2-CD2 4.4Å; F1044-L1140 HydrophobicContact CZ-CD2 4.38Å; I1136-L1140 HydrophobicContact CG2-CD1 3.92Å; I1136-L1140 PolarHBondContact O-N 3.3Å; G1137-L1140 PolarHBondContact O-N 3.06Å; L1138-L1140 VanDerWaalsContact C-N 3.34Å; L1138-L1140 PolarHBondContact O-N 3.18Å; L1140-D1142 VanDerWaalsContact C-N 3.32Å; L1140-D1142 PolarHBondContact O-N 3.16Å; L1140-V1143 PolarHBondContact O-N 3.19Å; L1140-I1144 WeakPolarHBondContact O-CB 3.29Å; L1140-I1144 WeakPolarHBondContact O-CD1 3.35Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.33Å; L1140-I1144 PolarHBondContact O-N 3.17Å; L1140-L1210 HydrophobicContact CB-CD2 4.12Å; L1140-L1210 HydrophobicContact CD1-CD2 3.83Å |
| 1141 | L | 88.5 | Confident | 82.3 | Confident | 0.8 Ų | 0.8 | 27.5 Ų | 27.5 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.3 | -36 | 179.9 | -72.8 | 171.9 | 0 | 0 | 0 | 112.6 | G1137 L1138 I1144 S1145 L1210 I1211 T1214 F1359 I1362 | G1137-L1141 WeakPolarHBondContact O-CB 3.27Å; G1137-L1141 VanDerWaalsContact O-CG 3.3Å; G1137-L1141 WeakPolarHBondContact O-CG 3.28Å; G1137-L1141 PolarHBondContact O-N 3.34Å; L1138-L1141 PolarHBondContact O-N 3.09Å; L1141-I1144 PolarHBondContact O-N 3.33Å; L1141-S1145 VanDerWaalsContact O-CB 3.3Å; L1141-S1145 WeakPolarHBondContact O-CB 3.41Å; L1141-S1145 PolarHBondContact O-N 3.15Å; L1141-S1145 PolarHBondContact O-OG 3.19Å; L1141-L1210 HydrophobicContact CD1-CB 4.4Å; L1141-L1210 HydrophobicContact CD2-CB 3.66Å; L1141-L1210 HydrophobicContact CD2-CD1 4.22Å; L1141-L1210 HydrophobicContact CG-CB 4Å; L1141-I1211 HydrophobicContact CD1-CG1 4.05Å; L1141-I1211 HydrophobicContact CD2-CG1 3.9Å; L1141-T1214 HydrophobicContact CD1-CG2 4.24Å; L1141-F1359 HydrophobicContact CD1-CD2 4.45Å; L1141-F1359 HydrophobicContact CD1-CE2 3.95Å; L1141-I1362 HydrophobicContact CB-CD1 4.48Å; L1141-I1362 HydrophobicContact CB-CG2 3.91Å |
| 1142 | D | 87.4 | Confident | 81.2 | Confident | 49.6 Ų | 49.6 | 25.5 Ų | 25.5 | 27% | 0.265 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -60.9 | -55.7 | 175.9 | -169.3 | 15.9 | 0 | 0 | 0 | 110.6 | L1138 K1139 L1140 I1144 S1145 Q1146 K1358 I1362 | L1138-D1142 VanDerWaalsContact O-CB 3.25Å; L1138-D1142 WeakPolarHBondContact O-CB 3.42Å; L1138-D1142 PolarHBondContact O-N 3.03Å; K1139-D1142 PolarHBondContact O-N 3.27Å; L1140-D1142 VanDerWaalsContact C-N 3.32Å; L1140-D1142 PolarHBondContact O-N 3.16Å; D1142-I1144 VanDerWaalsContact C-N 3.33Å; D1142-I1144 PolarHBondContact O-N 3.16Å; D1142-S1145 PolarHBondContact O-N 3.26Å; D1142-S1145 VanDerWaalsContact O-N 3.11Å; D1142-S1145 PolarHBondContact O-OG 3.03Å; D1142-Q1146 VanDerWaalsContact CG-NE2 3.32Å; D1142-Q1146 WeakPolarHBondContact O-CG 3.31Å; D1142-Q1146 PolarHBondContact O-N 3.13Å; D1142-Q1146 PolarHBondContact OD1-NE2 3.06Å; D1142-Q1146 PolarHBondContact OD2-NE2 3.13Å; D1142-K1358 WeakPolarHBondContact OD2-CE 3.38Å; D1142-K1358 IonicContact OD2-NZ 3.29Å; D1142-K1358 PolarHBondContact OD2-NZ 3.21Å; D1142-I1362 HydrophobicContact CB-CD1 3.83Å; D1142-I1362 HydrophobicContact CB-CG1 4.33Å |
| 1143 | V | 84.3 | Confident | 79.8 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 5% | 0.048 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 178.7 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | L1017 T1018 K1139 L1140 S1145 Q1146 L1147 | L1017-V1143 HydrophobicContact CB-CG1 3.66Å; T1018-V1143 HydrophobicContact CG2-CG1 4.26Å; T1018-V1143 HydrophobicContact CG2-CG2 3.54Å; K1139-V1143 WeakPolarHBondContact O-CG2 3.38Å; K1139-V1143 PolarHBondContact O-N 3.26Å; K1139-V1143 VanDerWaalsContact O-N 3.15Å; L1140-V1143 PolarHBondContact O-N 3.19Å; V1143-S1145 VanDerWaalsContact C-N 3.34Å; V1143-S1145 PolarHBondContact O-N 3.34Å; V1143-Q1146 PolarHBondContact O-N 3.17Å; V1143-L1147 HydrophobicContact CG1-CD1 4.01Å; V1143-L1147 HydrophobicContact CG1-CG 4.37Å; V1143-L1147 WeakPolarHBondContact O-CB 3.26Å; V1143-L1147 WeakPolarHBondContact O-CG 3.38Å; V1143-L1147 PolarHBondContact O-N 2.99Å |
| 1144 | I | 84.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.3 | -68.8 | 166.7 | 0 | 0 | 0 | 110.8 | L1017 F1044 L1140 L1141 D1142 Q1146 L1147 M1148 F1202 L1210 | L1017-I1144 HydrophobicContact CD1-CG1 4.37Å; F1044-I1144 HydrophobicContact CE1-CD1 4.15Å; F1044-I1144 HydrophobicContact CZ-CD1 4.08Å; L1140-I1144 WeakPolarHBondContact O-CB 3.29Å; L1140-I1144 WeakPolarHBondContact O-CD1 3.35Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.33Å; L1140-I1144 PolarHBondContact O-N 3.17Å; L1141-I1144 PolarHBondContact O-N 3.33Å; D1142-I1144 VanDerWaalsContact C-N 3.33Å; D1142-I1144 PolarHBondContact O-N 3.16Å; I1144-Q1146 VanDerWaalsContact C-N 3.3Å; I1144-Q1146 PolarHBondContact O-N 3.27Å; I1144-L1147 PolarHBondContact O-N 3.27Å; I1144-M1148 HydrophobicContact CG2-CE 4Å; I1144-M1148 HydrophobicContact CG2-CG 4.32Å; I1144-M1148 HydrophobicContact CG2-SD 4.2Å; I1144-M1148 WeakPolarHBondContact O-CB 3.28Å; I1144-M1148 VanDerWaalsContact O-CG 3.29Å; I1144-M1148 WeakPolarHBondContact O-CG 3.36Å; I1144-M1148 PolarHBondContact O-N 3.27Å; I1144-F1202 HydrophobicContact CD1-CD1 4.38Å; I1144-F1202 HydrophobicContact CD1-CE1 4.01Å; I1144-F1202 HydrophobicContact CG1-CD1 4.38Å; I1144-F1202 HydrophobicContact CG1-CE1 3.69Å; I1144-F1202 HydrophobicContact CG1-CE2 4.5Å; I1144-F1202 HydrophobicContact CG1-CZ 3.85Å; I1144-F1202 HydrophobicContact CG2-CD1 4.47Å; I1144-F1202 HydrophobicContact CG2-CE1 4.35Å; I1144-F1202 HydrophobicContact CG2-CZ 4.39Å; I1144-L1210 HydrophobicContact CD1-CD1 3.6Å |
| 1145 | S | 83.1 | Confident | 76.3 | Confident | 0.2 Ų | 0.2 | 33 Ų | 33 | 0% | 0.001 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -35.9 | 179.5 | 76.5 | 0 | 0 | 0 | 0 | 112.5 | L1141 D1142 V1143 K1149 I1365 | L1141-S1145 VanDerWaalsContact O-CB 3.3Å; L1141-S1145 WeakPolarHBondContact O-CB 3.41Å; L1141-S1145 PolarHBondContact O-N 3.15Å; L1141-S1145 PolarHBondContact O-OG 3.19Å; D1142-S1145 PolarHBondContact O-N 3.26Å; D1142-S1145 VanDerWaalsContact O-N 3.11Å; D1142-S1145 PolarHBondContact O-OG 3.03Å; V1143-S1145 VanDerWaalsContact C-N 3.34Å; V1143-S1145 PolarHBondContact O-N 3.34Å; S1145-K1149 VanDerWaalsContact O-CB 3.26Å; S1145-K1149 WeakPolarHBondContact O-CB 3.32Å; S1145-K1149 PolarHBondContact O-N 3.1Å; S1145-K1149 VanDerWaalsContact O-N 3.1Å; S1145-I1365 WeakPolarHBondContact O-CG2 3.1Å |
| 1146 | Q | 81.2 | Confident | 74.1 | Confident | 70.4 Ų | 70.4 | 32 Ų | 32 | 33% | 0.329 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -69.9 | -47.6 | 175.7 | -66.2 | 173.8 | 21.7 | 0 | 0 | 111.3 | L1021 D1142 V1143 I1144 M1148 K1149 E1150 | L1021-Q1146 HydrophobicContact CD1-CB 3.79Å; L1021-Q1146 HydrophobicContact CD2-CB 4.44Å; L1021-Q1146 VanDerWaalsContact CD2-OE1 3.26Å; D1142-Q1146 VanDerWaalsContact CG-NE2 3.32Å; D1142-Q1146 WeakPolarHBondContact O-CG 3.31Å; D1142-Q1146 PolarHBondContact O-N 3.13Å; D1142-Q1146 PolarHBondContact OD1-NE2 3.06Å; D1142-Q1146 PolarHBondContact OD2-NE2 3.13Å; V1143-Q1146 PolarHBondContact O-N 3.17Å; I1144-Q1146 VanDerWaalsContact C-N 3.3Å; I1144-Q1146 PolarHBondContact O-N 3.27Å; Q1146-M1148 VanDerWaalsContact C-N 3.34Å; Q1146-M1148 PolarHBondContact O-N 3.07Å; Q1146-K1149 WeakPolarHBondContact O-CB 3.29Å; Q1146-K1149 PolarHBondContact O-N 3.26Å; Q1146-K1149 VanDerWaalsContact O-N 3.12Å; Q1146-E1150 WeakPolarHBondContact O-CB 3.23Å; Q1146-E1150 WeakPolarHBondContact O-CG 3.37Å; Q1146-E1150 PolarHBondContact O-N 3.18Å |
| 1147 | L | 76.4 | Confident | 71.6 | Confident | 2.6 Ų | 2.6 | 35.4 Ų | 35.4 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 175.3 | -74.3 | 171.5 | 0 | 0 | 0 | 111.9 | L1017 L1020 L1021 V1143 I1144 K1149 E1150 T1151 I1198 F1202 | L1017-L1147 HydrophobicContact CB-CD1 4.24Å; L1017-L1147 HydrophobicContact CD2-CD1 4.04Å; L1020-L1147 HydrophobicContact CD2-CD1 4.46Å; L1020-L1147 HydrophobicContact CD2-CD2 4.4Å; L1020-L1147 HydrophobicContact CG-CD2 4.47Å; L1021-L1147 HydrophobicContact CB-CD2 4.07Å; L1021-L1147 HydrophobicContact CD1-CD2 4.03Å; L1021-L1147 HydrophobicContact CD1-CG 4.18Å; L1021-L1147 HydrophobicContact CG-CD2 4.35Å; V1143-L1147 HydrophobicContact CG1-CD1 4.01Å; V1143-L1147 HydrophobicContact CG1-CG 4.37Å; V1143-L1147 WeakPolarHBondContact O-CB 3.26Å; V1143-L1147 WeakPolarHBondContact O-CG 3.38Å; V1143-L1147 PolarHBondContact O-N 2.99Å; I1144-L1147 PolarHBondContact O-N 3.27Å; L1147-K1149 VanDerWaalsContact C-N 3.31Å; L1147-K1149 PolarHBondContact O-N 2.99Å; L1147-E1150 PolarHBondContact O-N 3.2Å; L1147-T1151 WeakPolarHBondContact O-CB 3.42Å; L1147-T1151 VanDerWaalsContact O-CG2 3.24Å; L1147-T1151 WeakPolarHBondContact O-CG2 3.28Å; L1147-T1151 PolarHBondContact O-N 3.33Å; L1147-T1151 PolarHBondContact O-OG1 3.04Å; L1147-T1151 VanDerWaalsContact O-OG1 3.06Å; L1147-I1198 HydrophobicContact CB-CG2 4.37Å; L1147-I1198 HydrophobicContact CD2-CD1 4.41Å; L1147-F1202 HydrophobicContact CB-CE2 4.42Å; L1147-F1202 HydrophobicContact CD1-CE2 4.34Å; L1147-F1202 HydrophobicContact CD1-CZ 4.17Å |
| 1148 | M | 75.5 | Confident | 68.9 | Low | 2.4 Ų | 2.4 | 38.4 Ų | 38.4 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 176.1 | -72.7 | -104.9 | -142.4 | 0 | 0 | 111.6 | I1144 Q1146 E1150 T1151 D1152 W1199 F1202 I1207 L1366 P1370 I1375 | I1144-M1148 HydrophobicContact CG2-CE 4Å; I1144-M1148 HydrophobicContact CG2-CG 4.32Å; I1144-M1148 HydrophobicContact CG2-SD 4.2Å; I1144-M1148 WeakPolarHBondContact O-CB 3.28Å; I1144-M1148 VanDerWaalsContact O-CG 3.29Å; I1144-M1148 WeakPolarHBondContact O-CG 3.36Å; I1144-M1148 PolarHBondContact O-N 3.27Å; Q1146-M1148 VanDerWaalsContact C-N 3.34Å; Q1146-M1148 PolarHBondContact O-N 3.07Å; M1148-E1150 PolarHBondContact O-N 2.99Å; M1148-T1151 WeakPolarHBondContact CA-OG1 3.21Å; M1148-T1151 PolarHBondContact O-N 3.16Å; M1148-T1151 PolarHBondContact O-OG1 3.13Å; M1148-T1151 VanDerWaalsContact O-OG1 3.1Å; M1148-D1152 VanDerWaalsContact O-CB 3.31Å; M1148-D1152 WeakPolarHBondContact O-CB 3.26Å; M1148-D1152 PolarHBondContact O-N 3.24Å; M1148-D1152 VanDerWaalsContact O-OD2 3.09Å; M1148-W1199 HydrophobicContact CB-CH2 4.47Å; M1148-W1199 HydrophobicContact CE-CE3 4.18Å; M1148-W1199 HydrophobicContact CE-CH2 3.84Å; M1148-W1199 HydrophobicContact CE-CZ2 4.22Å; M1148-W1199 HydrophobicContact CE-CZ3 3.81Å; M1148-W1199 HydrophobicContact CG-CH2 4.01Å; M1148-W1199 HydrophobicContact CG-CZ2 4.38Å; M1148-W1199 HydrophobicContact CG-CZ3 4.46Å; M1148-W1199 HydrophobicContact SD-CH2 4.05Å; M1148-W1199 HydrophobicContact SD-CZ3 4.26Å; M1148-F1202 HydrophobicContact CE-CB 3.75Å; M1148-F1202 VanDerWaalsContact CE-CB 3.49Å; M1148-F1202 HydrophobicContact CE-CD2 3.59Å; M1148-F1202 VanDerWaalsContact CE-CD2 3.46Å; M1148-F1202 HydrophobicContact CE-CE2 4.38Å; M1148-F1202 HydrophobicContact CE-CG 3.74Å; M1148-F1202 HydrophobicContact SD-CD2 4.33Å; M1148-I1207 HydrophobicContact CE-CD1 3.68Å; M1148-I1207 VanDerWaalsContact CE-CD1 3.41Å; M1148-I1207 HydrophobicContact SD-CD1 4.17Å; M1148-L1366 HydrophobicContact SD-CD2 3.89Å; M1148-P1370 HydrophobicContact CE-CB 3.65Å; M1148-I1375 HydrophobicContact CE-CD1 3.96Å; M1148-I1375 HydrophobicContact SD-CD1 4.2Å |
| 1149 | K | 71.7 | Confident | 66.2 | Low | 104.2 Ų | 104.2 | 43.1 Ų | 43.1 | 45% | 0.453 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 176.6 | -175.1 | -175.1 | 174.1 | -169.8 | 0 | 111.7 | S1145 Q1146 L1147 T1151 D1152 D1153 I1365 | S1145-K1149 VanDerWaalsContact O-CB 3.26Å; S1145-K1149 WeakPolarHBondContact O-CB 3.32Å; S1145-K1149 PolarHBondContact O-N 3.1Å; S1145-K1149 VanDerWaalsContact O-N 3.1Å; Q1146-K1149 WeakPolarHBondContact O-CB 3.29Å; Q1146-K1149 PolarHBondContact O-N 3.26Å; Q1146-K1149 VanDerWaalsContact O-N 3.12Å; L1147-K1149 VanDerWaalsContact C-N 3.31Å; L1147-K1149 PolarHBondContact O-N 2.99Å; K1149-T1151 VanDerWaalsContact C-N 3.3Å; K1149-T1151 PolarHBondContact O-N 3.05Å; K1149-D1152 PolarHBondContact O-N 2.92Å; K1149-D1153 VanDerWaalsContact CE-OD2 3.23Å; K1149-D1153 WeakPolarHBondContact CE-OD2 3.46Å; K1149-D1153 WeakPolarHBondContact CG-OD2 3.43Å; K1149-D1153 WeakPolarHBondContact O-CB 3.27Å; K1149-D1153 VanDerWaalsContact O-CG 3.27Å; K1149-D1153 PolarHBondContact O-N 3.31Å; K1149-D1153 VanDerWaalsContact O-OD2 3.09Å; K1149-I1365 HydrophobicContact CB-CG2 4.23Å |
| 1150 | E | 66.5 | Low | 63.5 | Low | 82.4 Ų | 82.4 | 43.9 Ų | 43.9 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 178.8 | -73.5 | -177.5 | 175.1 | 0 | 0 | 112.7 | L1021 Q1146 L1147 M1148 D1152 D1153 N1154 | L1021-E1150 VanDerWaalsContact CD1-CD 3.48Å; L1021-E1150 HydrophobicContact CD1-CG 4.47Å; L1021-E1150 WeakPolarHBondContact CD1-OE1 3.43Å; L1021-E1150 VanDerWaalsContact CD1-OE2 3.31Å; L1021-E1150 WeakPolarHBondContact CD1-OE2 3.46Å; Q1146-E1150 WeakPolarHBondContact O-CB 3.23Å; Q1146-E1150 WeakPolarHBondContact O-CG 3.37Å; Q1146-E1150 PolarHBondContact O-N 3.18Å; L1147-E1150 PolarHBondContact O-N 3.2Å; M1148-E1150 PolarHBondContact O-N 2.99Å; E1150-D1152 VanDerWaalsContact C-N 3.32Å; E1150-D1152 PolarHBondContact O-N 3.07Å; E1150-D1153 PolarHBondContact O-N 3.18Å; E1150-N1154 WeakPolarHBondContact O-CB 3.23Å; E1150-N1154 VanDerWaalsContact O-CG 3.23Å; E1150-N1154 PolarHBondContact O-N 3.24Å; E1150-N1154 PolarHBondContact O-ND2 3.09Å; E1150-N1154 VanDerWaalsContact O-ND2 3.15Å |
| 1151 | T | 63.8 | Low | 60.7 | Low | 2.4 Ų | 2.4 | 52.8 Ų | 52.8 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 176.9 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | L1147 M1148 K1149 D1153 N1154 L1155 T1195 I1198 W1199 | L1147-T1151 WeakPolarHBondContact O-CB 3.42Å; L1147-T1151 VanDerWaalsContact O-CG2 3.24Å; L1147-T1151 WeakPolarHBondContact O-CG2 3.28Å; L1147-T1151 PolarHBondContact O-N 3.33Å; L1147-T1151 PolarHBondContact O-OG1 3.04Å; L1147-T1151 VanDerWaalsContact O-OG1 3.06Å; M1148-T1151 WeakPolarHBondContact CA-OG1 3.21Å; M1148-T1151 PolarHBondContact O-N 3.16Å; M1148-T1151 PolarHBondContact O-OG1 3.13Å; M1148-T1151 VanDerWaalsContact O-OG1 3.1Å; K1149-T1151 VanDerWaalsContact C-N 3.3Å; K1149-T1151 PolarHBondContact O-N 3.05Å; T1151-D1153 VanDerWaalsContact C-N 3.3Å; T1151-D1153 PolarHBondContact O-N 3.04Å; T1151-N1154 PolarHBondContact O-N 3.12Å; T1151-L1155 WeakPolarHBondContact O-CD1 3.15Å; T1151-L1155 VanDerWaalsContact O-CG 3.29Å; T1151-L1155 WeakPolarHBondContact O-CG 3.28Å; T1151-L1155 PolarHBondContact O-N 3.24Å; T1151-T1195 HydrophobicContact CG2-CG2 4.32Å; T1151-I1198 HydrophobicContact CG2-CB 3.65Å; T1151-I1198 VanDerWaalsContact CG2-CB 3.44Å; T1151-I1198 HydrophobicContact CG2-CD1 3.47Å; T1151-I1198 VanDerWaalsContact CG2-CD1 3.44Å; T1151-I1198 HydrophobicContact CG2-CG1 4.13Å; T1151-I1198 HydrophobicContact CG2-CG2 3.66Å; T1151-I1198 VanDerWaalsContact CG2-CG2 3.45Å; T1151-W1199 PolarHBondContact OG1-NE1 3.23Å; T1151-W1199 VanDerWaalsContact OG1-NE1 3.12Å |
| 1152 | D | 59.4 | Low | 58 | Low | 3.2 Ų | 3.2 | 59.4 Ų | 59.4 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.3 | -32 | 178.8 | -79.2 | -22.6 | 0 | 0 | 0 | 112.3 | M1148 K1149 E1150 N1154 L1155 W1199 P1370 R1371 | M1148-D1152 VanDerWaalsContact O-CB 3.31Å; M1148-D1152 WeakPolarHBondContact O-CB 3.26Å; M1148-D1152 PolarHBondContact O-N 3.24Å; M1148-D1152 VanDerWaalsContact O-OD2 3.09Å; K1149-D1152 PolarHBondContact O-N 2.92Å; E1150-D1152 VanDerWaalsContact C-N 3.32Å; E1150-D1152 PolarHBondContact O-N 3.07Å; D1152-N1154 VanDerWaalsContact C-N 3.3Å; D1152-N1154 PolarHBondContact O-N 3.15Å; D1152-L1155 PolarHBondContact O-N 3.15Å; D1152-W1199 VanDerWaalsContact OD1-CE2 3.29Å; D1152-W1199 WeakPolarHBondContact OD1-CZ2 3.31Å; D1152-W1199 PolarHBondContact OD1-NE1 3.09Å; D1152-W1199 VanDerWaalsContact OD1-NE1 3.08Å; D1152-P1370 HydrophobicContact CB-CG 3.8Å; D1152-P1370 VanDerWaalsContact OD2-CA 3.28Å; D1152-P1370 WeakPolarHBondContact OD2-CA 3.36Å; D1152-P1370 WeakPolarHBondContact OD2-CD 3.13Å; D1152-P1370 WeakPolarHBondContact OD2-CG 3.32Å; D1152-R1371 PolarHBondContact OD2-N 3.05Å |
| 1153 | D | 53.8 | Low | 55.3 | Low | 59.4 Ų | 59.4 | 63.9 Ų | 63.9 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.9 | -34 | 174.7 | -73 | -23.4 | 0 | 0 | 0 | 111.7 | K1149 E1150 T1151 L1155 I1156 A1157 L1457 R1461 | K1149-D1153 VanDerWaalsContact CE-OD2 3.23Å; K1149-D1153 WeakPolarHBondContact CE-OD2 3.46Å; K1149-D1153 WeakPolarHBondContact CG-OD2 3.43Å; K1149-D1153 WeakPolarHBondContact O-CB 3.27Å; K1149-D1153 VanDerWaalsContact O-CG 3.27Å; K1149-D1153 PolarHBondContact O-N 3.31Å; K1149-D1153 VanDerWaalsContact O-OD2 3.09Å; E1150-D1153 PolarHBondContact O-N 3.18Å; T1151-D1153 VanDerWaalsContact C-N 3.3Å; T1151-D1153 PolarHBondContact O-N 3.04Å; D1153-L1155 VanDerWaalsContact C-N 3.28Å; D1153-L1155 PolarHBondContact O-N 2.89Å; D1153-I1156 WeakPolarHBondContact O-CA 3.37Å; D1153-I1156 VanDerWaalsContact O-CB 3.29Å; D1153-I1156 WeakPolarHBondContact O-CB 3.34Å; D1153-I1156 WeakPolarHBondContact O-CD1 3.35Å; D1153-I1156 VanDerWaalsContact O-CG1 3.27Å; D1153-I1156 WeakPolarHBondContact O-CG1 3.38Å; D1153-I1156 PolarHBondContact O-N 3.26Å; D1153-A1157 PolarHBondContact O-N 3.03Å; D1153-L1457 HydrophobicContact CB-CD2 4.49Å; D1153-L1457 WeakPolarHBondContact OD1-CD2 3.3Å; D1153-R1461 IonicContact OD1-CZ 3.35Å; D1153-R1461 IonicContact OD1-NE 2.66Å; D1153-R1461 IonicContact OD1-NH1 3.08Å; D1153-R1461 PolarHBondContact OD1-NH1 3.46Å; D1153-R1461 IonicContact OD1-NH2 2.79Å; D1153-R1461 PolarHBondContact OD1-NH2 2.99Å; D1153-R1461 IonicContact OD2-CZ 3.37Å; D1153-R1461 IonicContact OD2-NH1 3.12Å; D1153-R1461 IonicContact OD2-NH2 3.1Å; D1153-R1461 PolarHBondContact OD2-NH2 3.33Å |
| 1154 | N | 49.9 | Very low | 52.7 | Low | 79.2 Ų | 79.2 | 67.4 Ų | 67.4 | 42% | 0.424 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -78.3 | -22.7 | 179.2 | -75.2 | -39.6 | 0 | 0 | 0 | 113.9 | E1150 T1151 D1152 I1156 A1157 C1158 T1195 | E1150-N1154 WeakPolarHBondContact O-CB 3.23Å; E1150-N1154 VanDerWaalsContact O-CG 3.23Å; E1150-N1154 PolarHBondContact O-N 3.24Å; E1150-N1154 PolarHBondContact O-ND2 3.09Å; E1150-N1154 VanDerWaalsContact O-ND2 3.15Å; T1151-N1154 PolarHBondContact O-N 3.12Å; D1152-N1154 VanDerWaalsContact C-N 3.3Å; D1152-N1154 PolarHBondContact O-N 3.15Å; N1154-I1156 VanDerWaalsContact C-N 3.29Å; N1154-I1156 PolarHBondContact O-N 3.09Å; N1154-I1156 VanDerWaalsContact O-N 3.1Å; N1154-A1157 WeakPolarHBondContact O-CB 3.36Å; N1154-A1157 PolarHBondContact O-N 3.06Å; N1154-C1158 PolarHBondContact O-N 3.11Å; N1154-C1158 PolarHBondContact O-SG 3.35Å; N1154-T1195 HydrophobicContact CB-CG2 3.62Å; N1154-T1195 VanDerWaalsContact CB-CG2 3.47Å |
| 1155 | L | 46.5 | Very low | 50.1 | Low | 38.4 Ų | 38.4 | 74.2 Ų | 74.2 | 20% | 0.201 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -70.1 | -0.5 | 175.7 | -78.2 | 165.8 | 0 | 0 | 0 | 113.1 | T1151 D1152 D1153 A1157 C1158 K1196 W1199 | T1151-L1155 WeakPolarHBondContact O-CD1 3.15Å; T1151-L1155 VanDerWaalsContact O-CG 3.29Å; T1151-L1155 WeakPolarHBondContact O-CG 3.28Å; T1151-L1155 PolarHBondContact O-N 3.24Å; D1152-L1155 PolarHBondContact O-N 3.15Å; D1153-L1155 VanDerWaalsContact C-N 3.28Å; D1153-L1155 PolarHBondContact O-N 2.89Å; L1155-A1157 VanDerWaalsContact C-N 3.29Å; L1155-A1157 PolarHBondContact O-N 3.13Å; L1155-C1158 PolarHBondContact O-N 2.77Å; L1155-K1196 HydrophobicContact CD2-CG 4.12Å; L1155-W1199 HydrophobicContact CD1-CG 4.45Å; L1155-W1199 HydrophobicContact CD1-CZ2 4.06Å |
| 1156 | I | 40.5 | Very low | 47.4 | Very low | 51.2 Ų | 51.2 | 82.7 Ų | 82.7 | 26% | 0.263 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -82.8 | -25.9 | 169.1 | -64.8 | 163.3 | 0 | 0 | 0 | 111.9 | D1153 N1154 C1158 H1159 S1450 G1453 K1454 L1457 | D1153-I1156 WeakPolarHBondContact O-CA 3.37Å; D1153-I1156 VanDerWaalsContact O-CB 3.29Å; D1153-I1156 WeakPolarHBondContact O-CB 3.34Å; D1153-I1156 WeakPolarHBondContact O-CD1 3.35Å; D1153-I1156 VanDerWaalsContact O-CG1 3.27Å; D1153-I1156 WeakPolarHBondContact O-CG1 3.38Å; D1153-I1156 PolarHBondContact O-N 3.26Å; N1154-I1156 VanDerWaalsContact C-N 3.29Å; N1154-I1156 PolarHBondContact O-N 3.09Å; N1154-I1156 VanDerWaalsContact O-N 3.1Å; I1156-C1158 PolarHBondContact O-N 3.13Å; I1156-H1159 PolarHBondContact O-CD2 3.48Å; I1156-S1450 VanDerWaalsContact CG2-OG 3.31Å; I1156-S1450 WeakPolarHBondContact CG2-OG 3.29Å; I1156-G1453 WeakPolarHBondContact CD1-O 3.37Å; I1156-K1454 HydrophobicContact CD1-CG 4.17Å; I1156-K1454 HydrophobicContact CG2-CD 4.12Å; I1156-K1454 HydrophobicContact CG2-CG 3.66Å; I1156-L1457 HydrophobicContact CD1-CB 4.45Å; I1156-L1457 HydrophobicContact CD1-CD2 3.55Å; I1156-L1457 HydrophobicContact CG1-CD2 3.98Å |
| 1157 | A | 35.6 | Very low | 44.9 | Very low | 77 Ų | 77 | 85.7 Ų | 85.7 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -76.8 | -8.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1153 N1154 L1155 H1159 | D1153-A1157 PolarHBondContact O-N 3.03Å; N1154-A1157 WeakPolarHBondContact O-CB 3.36Å; N1154-A1157 PolarHBondContact O-N 3.06Å; L1155-A1157 VanDerWaalsContact C-N 3.29Å; L1155-A1157 PolarHBondContact O-N 3.13Å; A1157-H1159 PolarHBondContact O-N 3.08Å; A1157-H1159 VanDerWaalsContact O-N 3.07Å |
| 1158 | C | 32.4 | Very low | 42.6 | Very low | 62.6 Ų | 62.6 | 89.8 Ų | 89.8 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 25.8 | -175.7 | -68.2 | 0 | 0 | 0 | 0 | 114 | N1154 L1155 I1156 D1160 N1192 K1196 | N1154-C1158 PolarHBondContact O-N 3.11Å; N1154-C1158 PolarHBondContact O-SG 3.35Å; L1155-C1158 PolarHBondContact O-N 2.77Å; I1156-C1158 PolarHBondContact O-N 3.13Å; C1158-D1160 VanDerWaalsContact C-N 3.29Å; C1158-D1160 PolarHBondContact O-N 2.97Å; C1158-D1160 VanDerWaalsContact O-N 3.12Å; C1158-N1192 PolarHBondContact SG-ND2 3.18Å; C1158-K1196 WeakPolarHBondContact SG-CE 3.13Å; C1158-K1196 PolarHBondContact SG-NZ 3.42Å |
| 1159 | H | 32.2 | Very low | 40.4 | Very low | 113.4 Ų | 113.4 | 94.8 Ų | 94.8 | 53% | 0.525 | 51% | 0.51 | S | S | . | . | trans | -98.3 | 33 | 167.5 | -86 | -63 | 0 | 0 | 0 | 113.1 | I1156 A1157 R1161 D1169 G1449 | I1156-H1159 PolarHBondContact O-CD2 3.48Å; A1157-H1159 PolarHBondContact O-N 3.08Å; A1157-H1159 VanDerWaalsContact O-N 3.07Å; H1159-R1161 VanDerWaalsContact C-N 3.33Å; H1159-R1161 PolarHBondContact O-N 3.05Å; H1159-D1169 IonicContact CE1-OD2 2.67Å; H1159-G1449 VanDerWaalsContact CB-C 3.46Å | ||
| 1160 | D | 31.6 | Very low | 38.2 | Very low | 114.4 Ų | 114.4 | 94.9 Ų | 94.9 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | trans | -103.2 | 66.9 | 168.4 | -97.8 | -15.9 | 0 | 0 | 0 | 112.1 | C1158 C1446 | C1158-D1160 VanDerWaalsContact C-N 3.29Å; C1158-D1160 PolarHBondContact O-N 2.97Å; C1158-D1160 VanDerWaalsContact O-N 3.12Å; D1160-C1446 HydrophobicContact CB-CB 4.46Å | ||
| 1161 | R | 30.4 | Very low | 36.3 | Very low | 187.6 Ų | 187.6 | 96.4 Ų | 96.4 | 71% | 0.708 | 53% | 0.53 | S | S | * | . | trans | -134.9 | 118.9 | 170 | -69.7 | -176.1 | -173.6 | -163.4 | -1.7 | 115 | H1159 N1163 D1190 | H1159-R1161 VanDerWaalsContact C-N 3.33Å; H1159-R1161 PolarHBondContact O-N 3.05Å; R1161-N1163 PolarHBondContact O-N 3.15Å; R1161-D1190 PolarHBondContact NH1-O 3.1Å; R1161-D1190 VanDerWaalsContact NH1-O 3.1Å; R1161-D1190 PolarHBondContact NH2-O 3.38Å | ||
| 1162 | N | 32 | Very low | 34.6 | Very low | 139.8 Ų | 139.8 | 100.7 Ų | 100.7 | 75% | 0.748 | 56% | 0.56 | S | S | * | * | trans | -58.9 | 66.1 | 170.5 | -78.4 | -7.6 | 0 | 0 | 0 | 114.2 | ||||
| 1163 | N | 29.5 | Very low | 33.1 | Very low | 143.8 Ų | 143.8 | 106.1 Ų | 106.1 | 77% | 0.769 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -147.8 | 121.7 | 155.3 | -84.8 | -9.5 | 0 | 0 | 0 | 109.6 | R1161 D1165 | R1161-N1163 PolarHBondContact O-N 3.15Å; N1163-D1165 PolarHBondContact O-N 3.18Å |
| 1164 | G | 30.7 | Very low | 31.7 | Very low | 80.2 Ų | 80.2 | 109.7 Ų | 109.7 | 83% | 0.827 | 61% | 0.608 | S | S | * | * | trans | -41.9 | 27 | 167 | 0 | 0 | 0 | 0 | 0 | 117.1 | E1166 | G1164-E1166 PolarHBondContact O-N 3.15Š| ||
| 1165 | D | 28.4 | Very low | 30.6 | Very low | 143.4 Ų | 143.4 | 113.1 Ų | 113.1 | 77% | 0.767 | 63% | 0.625 | S | S | * | * | trans | -99.2 | 100.7 | 174.5 | -70.6 | -33 | 0 | 0 | 0 | 108.6 | N1163 I1167 | N1163-D1165 PolarHBondContact O-N 3.18Å; D1165-I1167 PolarHBondContact O-N 3.14Å | ||
| 1166 | E | 27 | Very low | 29.6 | Very low | 178.4 Ų | 178.4 | 116.7 Ų | 116.7 | 83% | 0.834 | 65% | 0.654 | S | S | * | * | trans | -58.1 | 111.8 | 171.1 | -71 | -175.9 | 150.4 | 0 | 0 | 109.4 | G1164 V1168 | G1164-E1166 PolarHBondContact O-N 3.15Å; E1166-V1168 VanDerWaalsContact C-N 3.28Å; E1166-V1168 HydrophobicContact CB-CG2 4Å; E1166-V1168 PolarHBondContact O-N 3.18Å | ||
| 1167 | I | 29.6 | Very low | 28.8 | Very low | 133 Ų | 133 | 117.1 Ų | 117.1 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | trans | -70.5 | 88.4 | 170.4 | -57.8 | 173.4 | 0 | 0 | 0 | 106.8 | D1165 D1169 | D1165-I1167 PolarHBondContact O-N 3.14Å; I1167-D1169 PolarHBondContact O-N 3.03Å | ||
| 1168 | V | 27.3 | Very low | 28.3 | Very low | 88.4 Ų | 88.4 | 119 Ų | 119 | 54% | 0.536 | 68% | 0.679 | S | S | . | * | trans | -73.6 | 107.7 | 171.6 | -178 | 0 | 0 | 0 | 0 | 107.8 | E1166 N1170 V1171 | E1166-V1168 VanDerWaalsContact C-N 3.28Å; E1166-V1168 HydrophobicContact CB-CG2 4Å; E1166-V1168 PolarHBondContact O-N 3.18Å; V1168-N1170 HydrophobicContact CG1-CB 3.88Å; V1168-N1170 PolarHBondContact O-N 3.31Å; V1168-V1171 WeakPolarHBondContact O-CG2 3.17Å; V1168-V1171 PolarHBondContact O-N 3.39Å | ||
| 1169 | D | 28.7 | Very low | 27.9 | Very low | 107.6 Ų | 107.6 | 124.8 Ų | 124.8 | 58% | 0.575 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -59.1 | 44.5 | 172.5 | -84.6 | -40 | 0 | 0 | 0 | 111.8 | H1159 I1167 V1171 R1371 | H1159-D1169 IonicContact CE1-OD2 2.67Å; I1167-D1169 PolarHBondContact O-N 3.03Å; D1169-V1171 WeakPolarHBondContact O-CG2 3.3Å; D1169-V1171 PolarHBondContact O-N 3.19Å; D1169-R1371 VanDerWaalsContact CG-NH1 3.26Å; D1169-R1371 IonicContact OD1-NH1 3.31Å; D1169-R1371 PolarHBondContact OD1-NH1 2.99Å; D1169-R1371 IonicContact OD2-NH1 2.72Å; D1169-R1371 PolarHBondContact OD2-NH1 3.03Å |
| 1170 | N | 26.1 | Very low | 27.5 | Very low | 106.2 Ų | 106.2 | 121.8 Ų | 121.8 | 57% | 0.568 | 70% | 0.697 | S | S | * | * | trans | -94.9 | 25.3 | 175.6 | -81.9 | -13.6 | 0 | 0 | 0 | 113.9 | V1168 C1172 D1173 F1179 | V1168-N1170 HydrophobicContact CG1-CB 3.88Å; V1168-N1170 PolarHBondContact O-N 3.31Å; N1170-C1172 VanDerWaalsContact C-N 3.28Å; N1170-C1172 PolarHBondContact O-N 3.27Å; N1170-C1172 VanDerWaalsContact O-N 3.11Å; N1170-D1173 PolarHBondContact O-N 3.18Å; N1170-D1173 VanDerWaalsContact O-N 3.08Å; N1170-F1179 VanDerWaalsContact ND2-CE1 3.32Å; N1170-F1179 WeakPolarHBondContact ND2-CE1 3.28Å; N1170-F1179 WeakPolarHBondContact ND2-CZ 3.35Å | ||
| 1171 | V | 26.3 | Very low | 27.1 | Very low | 114.6 Ų | 114.6 | 124.1 Ų | 124.1 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 24.6 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | V1168 D1169 L1175 | V1168-V1171 WeakPolarHBondContact O-CG2 3.17Å; V1168-V1171 PolarHBondContact O-N 3.39Å; D1169-V1171 WeakPolarHBondContact O-CG2 3.3Å; D1169-V1171 PolarHBondContact O-N 3.19Å; V1171-L1175 HydrophobicContact CG1-CD1 4.27Å; V1171-L1175 WeakPolarHBondContact O-CD1 3.18Å |
| 1172 | C | 28.6 | Very low | 26.8 | Very low | 92.8 Ų | 92.8 | 122.3 Ų | 122.3 | 63% | 0.627 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -7.6 | 167.8 | -73.9 | 0 | 0 | 0 | 0 | 115.3 | N1170 | N1170-C1172 VanDerWaalsContact C-N 3.28Å; N1170-C1172 PolarHBondContact O-N 3.27Å; N1170-C1172 VanDerWaalsContact O-N 3.11Å |
| 1173 | D | 27 | Very low | 26.3 | Very low | 117.4 Ų | 117.4 | 121.5 Ų | 121.5 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -1 | 177.1 | -70.6 | -20 | 0 | 0 | 0 | 115.1 | N1170 L1175 S1176 | N1170-D1173 PolarHBondContact O-N 3.18Å; N1170-D1173 VanDerWaalsContact O-N 3.08Å; D1173-L1175 PolarHBondContact O-N 2.89Å; D1173-S1176 PolarHBondContact O-OG 3.26Å |
| 1174 | N | 25.1 | Very low | 26.2 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | trans | -97 | 43.7 | -179.2 | -69.8 | -20.6 | 0 | 0 | 0 | 114.8 | S1176 G1177 | N1174-S1176 PolarHBondContact O-N 3.21Å; N1174-G1177 PolarHBondContact O-N 2.94Å | ||
| 1175 | L | 26.7 | Very low | 25.9 | Very low | 150.2 Ų | 150.2 | 121.1 Ų | 121.1 | 79% | 0.786 | 71% | 0.707 | S | S | * | * | trans | -89.8 | 41.6 | 167.2 | -88.3 | 157.8 | 0 | 0 | 0 | 112.6 | V1171 D1173 G1177 | V1171-L1175 HydrophobicContact CG1-CD1 4.27Å; V1171-L1175 WeakPolarHBondContact O-CD1 3.18Å; D1173-L1175 PolarHBondContact O-N 2.89Å; L1175-G1177 VanDerWaalsContact C-N 3.29Å; L1175-G1177 PolarHBondContact O-N 2.99Å | ||
| 1176 | S | 25.9 | Very low | 25.7 | Very low | 113.6 Ų | 113.6 | 123.5 Ų | 123.5 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | trans | -103.5 | 49 | 167.6 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | D1173 N1174 | D1173-S1176 PolarHBondContact O-OG 3.26Å; N1174-S1176 PolarHBondContact O-N 3.21Å | ||
| 1177 | G | 24 | Very low | 25.6 | Very low | 60 Ų | 60 | 124.1 Ų | 124.1 | 62% | 0.619 | 71% | 0.713 | S | S | * | * | trans | -121.1 | 110.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1174 L1175 F1179 | N1174-G1177 PolarHBondContact O-N 2.94Å; L1175-G1177 VanDerWaalsContact C-N 3.29Å; L1175-G1177 PolarHBondContact O-N 2.99Å; G1177-F1179 PolarHBondContact O-N 3.24Å | ||
| 1178 | S | 23.8 | Very low | 25.5 | Very low | 117.4 Ų | 117.4 | 122.1 Ų | 122.1 | 82% | 0.821 | 71% | 0.711 | S | S | * | * | trans | 5.2 | 98.5 | 160.5 | 178.2 | 0 | 0 | 0 | 0 | 116.2 | G1180 | S1178-G1180 PolarHBondContact O-N 3.2Š| ||
| 1179 | F | 24.7 | Very low | 25.5 | Very low | 184.2 Ų | 184.2 | 125.4 Ų | 125.4 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | trans | -76.1 | 92.5 | 160.4 | -82.9 | -89.3 | 0 | 0 | 0 | 110.2 | N1170 G1177 D1181 E1255 | N1170-F1179 VanDerWaalsContact ND2-CE1 3.32Å; N1170-F1179 WeakPolarHBondContact ND2-CE1 3.28Å; N1170-F1179 WeakPolarHBondContact ND2-CZ 3.35Å; G1177-F1179 PolarHBondContact O-N 3.24Å; F1179-D1181 PolarHBondContact O-N 3.37Å; F1179-E1255 WeakPolarHBondContact CE2-OE1 3.4Å; F1179-E1255 WeakPolarHBondContact CE2-OE2 3.43Å; F1179-E1255 WeakPolarHBondContact CZ-OE1 3.42Å | ||
| 1180 | G | 23.4 | Very low | 25.6 | Very low | 49.8 Ų | 49.8 | 126.6 Ų | 126.6 | 51% | 0.513 | 73% | 0.732 | S | S | . | * | trans | -101.1 | 126.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S1178 I1182 | S1178-G1180 PolarHBondContact O-N 3.2Å; G1180-I1182 VanDerWaalsContact C-N 3.33Å; G1180-I1182 PolarHBondContact O-N 3.03Å | ||
| 1181 | D | 24.4 | Very low | 25.7 | Very low | 161.8 Ų | 161.8 | 125.6 Ų | 125.6 | 87% | 0.865 | 73% | 0.732 | S | S | * | * | trans | 9.1 | 80.4 | 164.4 | -69.1 | -28.3 | 0 | 0 | 0 | 114.5 | F1179 C1183 | F1179-D1181 PolarHBondContact O-N 3.37Å; D1181-C1183 PolarHBondContact O-N 3.29Å | ||
| 1182 | I | 24 | Very low | 26.1 | Very low | 149.8 Ų | 149.8 | 125.1 Ų | 125.1 | 77% | 0.768 | 73% | 0.726 | S | S | * | * | trans | -92 | 94.8 | 156.8 | -60.1 | 176.6 | 0 | 0 | 0 | 106.8 | G1180 V1184 | G1180-I1182 VanDerWaalsContact C-N 3.33Å; G1180-I1182 PolarHBondContact O-N 3.03Å; I1182-V1184 VanDerWaalsContact C-N 3.3Å; I1182-V1184 HydrophobicContact CG2-CG2 4.03Å; I1182-V1184 PolarHBondContact O-N 3.11Å | ||
| 1183 | C | 21.5 | Very low | 26.8 | Very low | 124.8 Ų | 124.8 | 123.1 Ų | 123.1 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | trans | -61.9 | 92.6 | 166.8 | -130.1 | 0 | 0 | 0 | 0 | 107.6 | D1181 S1185 | D1181-C1183 PolarHBondContact O-N 3.29Å; C1183-S1185 PolarHBondContact O-N 3.17Å; C1183-S1185 VanDerWaalsContact O-N 3.07Å | ||
| 1184 | V | 26.5 | Very low | 27.5 | Very low | 123.2 Ų | 123.2 | 120.8 Ų | 120.8 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | trans | -67.5 | 103.7 | 168 | -180 | 0 | 0 | 0 | 0 | 106.5 | I1182 E1186 | I1182-V1184 VanDerWaalsContact C-N 3.3Å; I1182-V1184 HydrophobicContact CG2-CG2 4.03Å; I1182-V1184 PolarHBondContact O-N 3.11Å; V1184-E1186 PolarHBondContact O-N 3.12Å; V1184-E1186 VanDerWaalsContact O-N 3.09Å | ||
| 1185 | S | 24 | Very low | 28.4 | Very low | 91.4 Ų | 91.4 | 115 Ų | 115 | 64% | 0.639 | 67% | 0.673 | S | S | * | * | trans | -61.1 | 127.1 | 177 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | C1183 K1187 | C1183-S1185 PolarHBondContact O-N 3.17Å; C1183-S1185 VanDerWaalsContact O-N 3.07Å; S1185-K1187 VanDerWaalsContact C-N 3.34Å; S1185-K1187 PolarHBondContact O-N 3.11Å | ||
| 1186 | E | 25.4 | Very low | 29.4 | Very low | 194.2 Ų | 194.2 | 113.7 Ų | 113.7 | 91% | 0.907 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -63.5 | 58.6 | 176.7 | -64.6 | 178.9 | 140.8 | 0 | 0 | 112.6 | V1184 | V1184-E1186 PolarHBondContact O-N 3.12Å; V1184-E1186 VanDerWaalsContact O-N 3.09Å |
| 1187 | K | 25.2 | Very low | 30.7 | Very low | 189.8 Ų | 189.8 | 109.1 Ų | 109.1 | 83% | 0.825 | 63% | 0.628 | S | S | * | * | trans | -136.3 | 71.9 | 174.5 | -80.8 | -179.1 | -178.8 | 178.3 | 0 | 112.3 | S1185 N1189 | S1185-K1187 VanDerWaalsContact C-N 3.34Å; S1185-K1187 PolarHBondContact O-N 3.11Å; K1187-N1189 PolarHBondContact O-N 3.45Å | ||
| 1188 | S | 25.9 | Very low | 32.3 | Very low | 91 Ų | 91 | 107.2 Ų | 107.2 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | trans | -166.7 | 107.8 | 146.8 | 42.6 | 0 | 0 | 0 | 0 | 110.4 | D1190 | S1188-D1190 PolarHBondContact O-N 3.16Š| ||
| 1189 | N | 28.7 | Very low | 34 | Very low | 159.4 Ų | 159.4 | 103.9 Ų | 103.9 | 85% | 0.852 | 57% | 0.573 | S | S | * | * | trans | -92.9 | 38.5 | 175.1 | -93.5 | -6 | 0 | 0 | 0 | 112 | K1187 C1191 | K1187-N1189 PolarHBondContact O-N 3.45Å; N1189-C1191 PolarHBondContact O-N 3.17Å | ||
| 1190 | D | 29.5 | Very low | 35.7 | Very low | 132.4 Ų | 132.4 | 99.4 Ų | 99.4 | 71% | 0.708 | 56% | 0.557 | S | S | * | * | trans | -99.4 | 86 | -175.6 | -66.8 | -45 | 0 | 0 | 0 | 112.9 | R1161 S1188 N1192 | R1161-D1190 PolarHBondContact NH1-O 3.1Å; R1161-D1190 VanDerWaalsContact NH1-O 3.1Å; R1161-D1190 PolarHBondContact NH2-O 3.38Å; S1188-D1190 PolarHBondContact O-N 3.16Å; D1190-N1192 VanDerWaalsContact C-N 3.33Å; D1190-N1192 PolarHBondContact O-N 2.9Å | ||
| 1191 | C | 29.6 | Very low | 37.8 | Very low | 85 Ų | 85 | 97.8 Ų | 97.8 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -123.8 | 87.9 | 175.7 | -67.5 | 0 | 0 | 0 | 0 | 113.5 | N1189 S1193 | N1189-C1191 PolarHBondContact O-N 3.17Å; C1191-S1193 PolarHBondContact O-N 3.22Å |
| 1192 | N | 35 | Very low | 40.2 | Very low | 104.8 Ų | 104.8 | 90.3 Ų | 90.3 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | trans | -73.5 | 47.6 | 175.7 | -77.1 | -15.6 | 0 | 0 | 0 | 115.3 | D1028 C1158 D1190 T1194 T1195 | D1028-N1192 PolarHBondContact OD1-ND2 3.32Å; D1028-N1192 VanDerWaalsContact OD1-ND2 3.17Å; C1158-N1192 PolarHBondContact SG-ND2 3.18Å; D1190-N1192 VanDerWaalsContact C-N 3.33Å; D1190-N1192 PolarHBondContact O-N 2.9Å; N1192-T1194 PolarHBondContact O-N 3.16Å; N1192-T1195 PolarHBondContact O-N 2.99Å; N1192-T1195 PolarHBondContact O-OG1 2.75Å | ||
| 1193 | S | 41.9 | Very low | 42.6 | Very low | 50.6 Ų | 50.6 | 84.6 Ų | 84.6 | 35% | 0.354 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -86 | 8.7 | 176.5 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | D1028 C1191 T1195 K1196 S1197 | D1028-S1193 VanDerWaalsContact OD1-CB 3.28Å; D1028-S1193 WeakPolarHBondContact OD1-CB 3.11Å; D1028-S1193 PolarHBondContact OD1-OG 3.39Å; C1191-S1193 PolarHBondContact O-N 3.22Å; S1193-T1195 WeakPolarHBondContact CB-OG1 3.5Å; S1193-T1195 PolarHBondContact O-N 2.86Å; S1193-T1195 PolarHBondContact OG-OG1 3.13Å; S1193-K1196 PolarHBondContact O-N 2.98Å; S1193-K1196 VanDerWaalsContact O-N 3.09Å; S1193-K1196 WeakPolarHBondContact OG-CB 3.07Å; S1193-K1196 WeakPolarHBondContact OG-CG 3.36Å; S1193-K1196 PolarHBondContact OG-N 3.33Å; S1193-S1197 WeakPolarHBondContact O-CB 3.28Å; S1193-S1197 PolarHBondContact O-N 3.13Å; S1193-S1197 PolarHBondContact O-OG 2.82Å |
| 1194 | T | 41.5 | Very low | 45.1 | Very low | 67.6 Ų | 67.6 | 80.3 Ų | 80.3 | 42% | 0.415 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.3 | -37.8 | 178.8 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | N1192 K1196 S1197 I1198 | N1192-T1194 PolarHBondContact O-N 3.16Å; T1194-K1196 PolarHBondContact O-N 3.11Å; T1194-S1197 VanDerWaalsContact C-OG 3.31Å; T1194-S1197 VanDerWaalsContact CA-OG 3.27Å; T1194-S1197 WeakPolarHBondContact CA-OG 3.37Å; T1194-S1197 WeakPolarHBondContact O-CB 3.3Å; T1194-S1197 PolarHBondContact O-N 3.22Å; T1194-S1197 VanDerWaalsContact O-N 3.12Å; T1194-S1197 PolarHBondContact O-OG 3.24Å; T1194-I1198 WeakPolarHBondContact O-CG1 3.43Å; T1194-I1198 PolarHBondContact O-N 3.12Å |
| 1195 | T | 45.1 | Very low | 47.4 | Very low | 14.6 Ų | 14.6 | 76.1 Ų | 76.1 | 9% | 0.09 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 178.5 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | T1151 N1154 N1192 S1193 S1197 I1198 W1199 | T1151-T1195 HydrophobicContact CG2-CG2 4.32Å; N1154-T1195 HydrophobicContact CB-CG2 3.62Å; N1154-T1195 VanDerWaalsContact CB-CG2 3.47Å; N1192-T1195 PolarHBondContact O-N 2.99Å; N1192-T1195 PolarHBondContact O-OG1 2.75Å; S1193-T1195 WeakPolarHBondContact CB-OG1 3.5Å; S1193-T1195 PolarHBondContact O-N 2.86Å; S1193-T1195 PolarHBondContact OG-OG1 3.13Å; T1195-S1197 VanDerWaalsContact C-N 3.32Å; T1195-S1197 PolarHBondContact O-N 3.02Å; T1195-I1198 PolarHBondContact O-N 3.16Å; T1195-W1199 VanDerWaalsContact O-CD1 3.27Å |
| 1196 | K | 46.6 | Very low | 50.1 | Low | 122.4 Ų | 122.4 | 71.8 Ų | 71.8 | 53% | 0.532 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.8 | -33.5 | 172.8 | -75.8 | -178 | 178.3 | 177.1 | 0 | 111.8 | L1155 C1158 S1193 T1194 I1198 W1199 L1200 | L1155-K1196 HydrophobicContact CD2-CG 4.12Å; C1158-K1196 WeakPolarHBondContact SG-CE 3.13Å; C1158-K1196 PolarHBondContact SG-NZ 3.42Å; S1193-K1196 PolarHBondContact O-N 2.98Å; S1193-K1196 VanDerWaalsContact O-N 3.09Å; S1193-K1196 WeakPolarHBondContact OG-CB 3.07Å; S1193-K1196 WeakPolarHBondContact OG-CG 3.36Å; S1193-K1196 PolarHBondContact OG-N 3.33Å; T1194-K1196 PolarHBondContact O-N 3.11Å; K1196-I1198 PolarHBondContact O-N 3.35Å; K1196-W1199 PolarHBondContact O-N 2.87Å; K1196-L1200 VanDerWaalsContact O-CG 3.31Å; K1196-L1200 WeakPolarHBondContact O-CG 3.23Å; K1196-L1200 PolarHBondContact O-N 3.29Å; K1196-L1200 VanDerWaalsContact O-N 3.1Å |
| 1197 | S | 54.5 | Low | 52.8 | Low | 16.2 Ų | 16.2 | 62.6 Ų | 62.6 | 11% | 0.113 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.3 | -35.4 | -178.1 | 74.7 | 0 | 0 | 0 | 0 | 113.9 | Y1037 S1193 T1194 T1195 W1199 L1200 L1201 | Y1037-S1197 WeakPolarHBondContact CE1-O 3.28Å; Y1037-S1197 VanDerWaalsContact OH-CB 3.26Å; Y1037-S1197 WeakPolarHBondContact OH-CB 3.37Å; Y1037-S1197 PolarHBondContact OH-OG 3.08Å; S1193-S1197 WeakPolarHBondContact O-CB 3.28Å; S1193-S1197 PolarHBondContact O-N 3.13Å; S1193-S1197 PolarHBondContact O-OG 2.82Å; T1194-S1197 VanDerWaalsContact C-OG 3.31Å; T1194-S1197 VanDerWaalsContact CA-OG 3.27Å; T1194-S1197 WeakPolarHBondContact CA-OG 3.37Å; T1194-S1197 WeakPolarHBondContact O-CB 3.3Å; T1194-S1197 PolarHBondContact O-N 3.22Å; T1194-S1197 VanDerWaalsContact O-N 3.12Å; T1194-S1197 PolarHBondContact O-OG 3.24Å; T1195-S1197 VanDerWaalsContact C-N 3.32Å; T1195-S1197 PolarHBondContact O-N 3.02Å; S1197-W1199 VanDerWaalsContact C-N 3.32Å; S1197-W1199 PolarHBondContact O-N 2.93Å; S1197-L1200 WeakPolarHBondContact O-CB 3.35Å; S1197-L1200 PolarHBondContact O-N 3.05Å; S1197-L1200 VanDerWaalsContact O-N 3.11Å; S1197-L1201 WeakPolarHBondContact O-CG 3.4Å; S1197-L1201 PolarHBondContact O-N 3.29Å; S1197-L1201 VanDerWaalsContact O-N 3.12Å |
| 1198 | I | 57.9 | Low | 55.5 | Low | 20 Ų | 20 | 54.1 Ų | 54.1 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -38.2 | 178 | -66.3 | 165.9 | 0 | 0 | 0 | 111 | L1020 L1147 T1151 T1194 T1195 K1196 L1200 L1201 F1202 | L1020-I1198 HydrophobicContact CD2-CD1 4.36Å; L1020-I1198 HydrophobicContact CD2-CG1 4.14Å; L1147-I1198 HydrophobicContact CB-CG2 4.37Å; L1147-I1198 HydrophobicContact CD2-CD1 4.41Å; T1151-I1198 HydrophobicContact CG2-CB 3.65Å; T1151-I1198 VanDerWaalsContact CG2-CB 3.44Å; T1151-I1198 HydrophobicContact CG2-CD1 3.47Å; T1151-I1198 VanDerWaalsContact CG2-CD1 3.44Å; T1151-I1198 HydrophobicContact CG2-CG1 4.13Å; T1151-I1198 HydrophobicContact CG2-CG2 3.66Å; T1151-I1198 VanDerWaalsContact CG2-CG2 3.45Å; T1194-I1198 WeakPolarHBondContact O-CG1 3.43Å; T1194-I1198 PolarHBondContact O-N 3.12Å; T1195-I1198 PolarHBondContact O-N 3.16Å; K1196-I1198 PolarHBondContact O-N 3.35Å; I1198-L1200 VanDerWaalsContact C-N 3.28Å; I1198-L1200 PolarHBondContact O-N 3.1Å; I1198-L1201 WeakPolarHBondContact O-CB 3.47Å; I1198-L1201 PolarHBondContact O-N 3.13Å; I1198-L1201 VanDerWaalsContact O-N 3.13Å; I1198-F1202 HydrophobicContact CG2-CD2 4.15Å; I1198-F1202 HydrophobicContact CG2-CE2 3.82Å; I1198-F1202 WeakPolarHBondContact O-CD2 3.34Å |
| 1199 | W | 58.4 | Low | 58.2 | Low | 48.2 Ų | 48.2 | 50 Ų | 50 | 18% | 0.183 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -31.1 | 174 | -78.9 | 90.5 | 0 | 0 | 0 | 113.4 | M1148 T1151 D1152 L1155 T1195 K1196 S1197 L1201 P1370 R1371 R1372 I1375 | M1148-W1199 HydrophobicContact CB-CH2 4.47Å; M1148-W1199 HydrophobicContact CE-CE3 4.18Å; M1148-W1199 HydrophobicContact CE-CH2 3.84Å; M1148-W1199 HydrophobicContact CE-CZ2 4.22Å; M1148-W1199 HydrophobicContact CE-CZ3 3.81Å; M1148-W1199 HydrophobicContact CG-CH2 4.01Å; M1148-W1199 HydrophobicContact CG-CZ2 4.38Å; M1148-W1199 HydrophobicContact CG-CZ3 4.46Å; M1148-W1199 HydrophobicContact SD-CH2 4.05Å; M1148-W1199 HydrophobicContact SD-CZ3 4.26Å; T1151-W1199 PolarHBondContact OG1-NE1 3.23Å; T1151-W1199 VanDerWaalsContact OG1-NE1 3.12Å; D1152-W1199 VanDerWaalsContact OD1-CE2 3.29Å; D1152-W1199 WeakPolarHBondContact OD1-CZ2 3.31Å; D1152-W1199 PolarHBondContact OD1-NE1 3.09Å; D1152-W1199 VanDerWaalsContact OD1-NE1 3.08Å; L1155-W1199 HydrophobicContact CD1-CG 4.45Å; L1155-W1199 HydrophobicContact CD1-CZ2 4.06Å; T1195-W1199 VanDerWaalsContact O-CD1 3.27Å; K1196-W1199 PolarHBondContact O-N 2.87Å; S1197-W1199 VanDerWaalsContact C-N 3.32Å; S1197-W1199 PolarHBondContact O-N 2.93Å; W1199-L1201 VanDerWaalsContact C-N 3.31Å; W1199-L1201 PolarHBondContact O-N 3.1Å; W1199-P1370 HydrophobicContact CH2-CB 4.04Å; W1199-P1370 HydrophobicContact CZ3-CB 4.22Å; W1199-R1371 HydrophobicContact CH2-CB 4.16Å; W1199-R1371 HydrophobicContact CZ2-CB 4.35Å; W1199-R1372 HydrophobicContact CE3-CG 4.11Å; W1199-R1372 HydrophobicContact CH2-CB 3.98Å; W1199-R1372 HydrophobicContact CH2-CG 3.9Å; W1199-R1372 HydrophobicContact CZ3-CB 3.97Å; W1199-R1372 HydrophobicContact CZ3-CG 3.57Å; W1199-R1372 VanDerWaalsContact CZ3-CG 3.47Å; W1199-R1372 PolarHBondContact O-NH2 2.74Å; W1199-I1375 HydrophobicContact CZ3-CD1 4.23Å |
| 1200 | L | 60.8 | Low | 61 | Low | 90.8 Ų | 90.8 | 42.5 Ų | 42.5 | 48% | 0.475 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -74.5 | -20.4 | 177.3 | -69.7 | 168.8 | 0 | 0 | 0 | 113.1 | Y1037 R1041 K1196 S1197 I1198 | Y1037-L1200 HydrophobicContact CD1-CB 4.36Å; R1041-L1200 VanDerWaalsContact CD-O 3.23Å; R1041-L1200 WeakPolarHBondContact CD-O 3.33Å; R1041-L1200 PolarHBondContact NH1-O 2.73Å; K1196-L1200 VanDerWaalsContact O-CG 3.31Å; K1196-L1200 WeakPolarHBondContact O-CG 3.23Å; K1196-L1200 PolarHBondContact O-N 3.29Å; K1196-L1200 VanDerWaalsContact O-N 3.1Å; S1197-L1200 WeakPolarHBondContact O-CB 3.35Å; S1197-L1200 PolarHBondContact O-N 3.05Å; S1197-L1200 VanDerWaalsContact O-N 3.11Å; I1198-L1200 VanDerWaalsContact C-N 3.28Å; I1198-L1200 PolarHBondContact O-N 3.1Å |
| 1201 | L | 67.6 | Low | 63.7 | Low | 16.6 Ų | 16.6 | 36.2 Ų | 36.2 | 9% | 0.087 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.6 | -35.3 | 178.8 | -78.5 | 160 | 0 | 0 | 0 | 113.1 | L1020 Y1037 Q1040 R1041 S1197 I1198 W1199 Q1206 | L1020-L1201 HydrophobicContact CD2-CD1 4.41Å; Y1037-L1201 HydrophobicContact CD1-CD1 4.08Å; Y1037-L1201 HydrophobicContact CD1-CD2 3.88Å; Y1037-L1201 HydrophobicContact CD1-CG 3.94Å; Y1037-L1201 HydrophobicContact CE1-CD1 4.16Å; Y1037-L1201 HydrophobicContact CE1-CD2 4.28Å; Y1037-L1201 HydrophobicContact CE1-CG 4.32Å; Q1040-L1201 HydrophobicContact CB-CD2 4.09Å; Q1040-L1201 VanDerWaalsContact OE1-CD2 3.26Å; R1041-L1201 WeakPolarHBondContact CB-O 3.48Å; R1041-L1201 WeakPolarHBondContact CG-O 3.41Å; S1197-L1201 WeakPolarHBondContact O-CG 3.4Å; S1197-L1201 PolarHBondContact O-N 3.29Å; S1197-L1201 VanDerWaalsContact O-N 3.12Å; I1198-L1201 WeakPolarHBondContact O-CB 3.47Å; I1198-L1201 PolarHBondContact O-N 3.13Å; I1198-L1201 VanDerWaalsContact O-N 3.13Å; W1199-L1201 VanDerWaalsContact C-N 3.31Å; W1199-L1201 PolarHBondContact O-N 3.1Å; L1201-Q1206 PolarHBondContact O-NE2 3.16Å; L1201-Q1206 PolarHBondContact O-OE1 2.99Å |
| 1202 | F | 75.3 | Confident | 66.3 | Low | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | trans | -104.7 | 131.2 | -169.4 | -59.8 | -60.2 | 0 | 0 | 0 | 114.7 | L1017 F1044 I1144 L1147 M1148 I1198 Q1206 I1207 R1372 | L1017-F1202 HydrophobicContact CD1-CE1 4.26Å; L1017-F1202 HydrophobicContact CD1-CZ 4.25Å; L1017-F1202 HydrophobicContact CD2-CE1 4.36Å; L1017-F1202 HydrophobicContact CD2-CZ 3.94Å; F1044-F1202 HydrophobicContact CD1-CD1 4.45Å; F1044-F1202 HydrophobicContact CD1-CE1 4.43Å; F1044-F1202 HydrophobicContact CE1-CD1 4.09Å; F1044-F1202 AromaticContact CE1-CE1 3.96Å; F1044-F1202 HydrophobicContact CE1-CE1 4.01Å; I1144-F1202 HydrophobicContact CD1-CD1 4.38Å; I1144-F1202 HydrophobicContact CD1-CE1 4.01Å; I1144-F1202 HydrophobicContact CG1-CD1 4.38Å; I1144-F1202 HydrophobicContact CG1-CE1 3.69Å; I1144-F1202 HydrophobicContact CG1-CE2 4.5Å; I1144-F1202 HydrophobicContact CG1-CZ 3.85Å; I1144-F1202 HydrophobicContact CG2-CD1 4.47Å; I1144-F1202 HydrophobicContact CG2-CE1 4.35Å; I1144-F1202 HydrophobicContact CG2-CZ 4.39Å; L1147-F1202 HydrophobicContact CB-CE2 4.42Å; L1147-F1202 HydrophobicContact CD1-CE2 4.34Å; L1147-F1202 HydrophobicContact CD1-CZ 4.17Å; M1148-F1202 HydrophobicContact CE-CB 3.75Å; M1148-F1202 VanDerWaalsContact CE-CB 3.49Å; M1148-F1202 HydrophobicContact CE-CD2 3.59Å; M1148-F1202 VanDerWaalsContact CE-CD2 3.46Å; M1148-F1202 HydrophobicContact CE-CE2 4.38Å; M1148-F1202 HydrophobicContact CE-CG 3.74Å; M1148-F1202 HydrophobicContact SD-CD2 4.33Å; I1198-F1202 HydrophobicContact CG2-CD2 4.15Å; I1198-F1202 HydrophobicContact CG2-CE2 3.82Å; I1198-F1202 WeakPolarHBondContact O-CD2 3.34Å; F1202-Q1206 VanDerWaalsContact CA-OE1 3.29Å; F1202-I1207 HydrophobicContact CB-CD1 4.45Å; F1202-R1372 PolarHBondContact O-NH1 3.12Å | ||
| 1203 | N | 74.2 | Confident | 68.7 | Low | 29.8 Ų | 29.8 | 28.3 Ų | 28.3 | 16% | 0.159 | 15% | 0.15 | C | C | . | . | trans | -114.8 | 150.6 | 174.5 | -163.1 | 4.4 | 0 | 0 | 0 | 111.6 | M709 R1041 V1205 Q1206 I1207 | M709-N1203 PolarHBondContact SD-ND2 3.12Å; R1041-N1203 VanDerWaalsContact NH2-CG 3.28Å; R1041-N1203 PolarHBondContact NH2-ND2 2.91Å; R1041-N1203 PolarHBondContact NH2-OD1 2.99Å; N1203-V1205 VanDerWaalsContact C-N 3.26Å; N1203-V1205 PolarHBondContact O-N 3.26Å; N1203-V1205 VanDerWaalsContact O-N 3.13Å; N1203-Q1206 HydrophobicContact CB-CG 4.34Å; N1203-Q1206 WeakPolarHBondContact O-CB 3.42Å; N1203-Q1206 PolarHBondContact O-N 3.29Å; N1203-Q1206 VanDerWaalsContact O-N 3.12Å; N1203-I1207 PolarHBondContact O-N 3.2Å | ||
| 1204 | N | 73.1 | Confident | 70.9 | Confident | 34.2 Ų | 34.2 | 25.9 Ų | 25.9 | 18% | 0.183 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.8 | -38.4 | 178 | -155.4 | 3.7 | 0 | 0 | 0 | 112 | M709 Q1206 I1207 C1208 R1372 D1374 I1375 L1378 | M709-N1204 HydrophobicContact CE-CB 4.03Å; M709-N1204 WeakPolarHBondContact CE-OD1 3.28Å; N1204-Q1206 VanDerWaalsContact C-N 3.32Å; N1204-Q1206 PolarHBondContact O-N 3.02Å; N1204-I1207 PolarHBondContact O-N 3Å; N1204-C1208 VanDerWaalsContact O-CB 3.3Å; N1204-C1208 WeakPolarHBondContact O-CB 3.23Å; N1204-C1208 PolarHBondContact O-N 2.99Å; N1204-R1372 WeakPolarHBondContact OD1-CD 3.34Å; N1204-D1374 VanDerWaalsContact CB-OD2 3.25Å; N1204-D1374 WeakPolarHBondContact CB-OD2 3.18Å; N1204-D1374 VanDerWaalsContact ND2-CB 3.34Å; N1204-D1374 WeakPolarHBondContact ND2-CB 3.34Å; N1204-D1374 VanDerWaalsContact ND2-CG 3.32Å; N1204-D1374 PolarHBondContact ND2-OD2 3.01Å; N1204-I1375 VanDerWaalsContact OD1-CG1 3.24Å; N1204-I1375 WeakPolarHBondContact OD1-CG1 3.31Å; N1204-L1378 WeakPolarHBondContact OD1-CD2 3.47Å |
| 1205 | V | 74.2 | Confident | 73 | Confident | 35.8 Ų | 35.8 | 22.8 Ų | 22.8 | 22% | 0.217 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 177.1 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | R711 T1045 I1049 N1203 I1207 C1208 N1209 | R711-V1205 HydrophobicContact CG-CG1 4.19Å; R711-V1205 HydrophobicContact CG-CG2 4.16Å; R711-V1205 VanDerWaalsContact NH2-CG1 3.29Å; T1045-V1205 HydrophobicContact CG2-CB 4.39Å; T1045-V1205 HydrophobicContact CG2-CG1 4.08Å; I1049-V1205 HydrophobicContact CD1-CG1 4.38Å; I1049-V1205 HydrophobicContact CG1-CG1 4.28Å; N1203-V1205 VanDerWaalsContact C-N 3.26Å; N1203-V1205 PolarHBondContact O-N 3.26Å; N1203-V1205 VanDerWaalsContact O-N 3.13Å; V1205-I1207 VanDerWaalsContact C-N 3.33Å; V1205-I1207 PolarHBondContact O-N 2.77Å; V1205-C1208 WeakPolarHBondContact O-CB 3.48Å; V1205-C1208 PolarHBondContact O-N 2.95Å; V1205-N1209 VanDerWaalsContact O-CB 3.29Å; V1205-N1209 WeakPolarHBondContact O-CB 3.34Å; V1205-N1209 VanDerWaalsContact O-CG 3.23Å; V1205-N1209 PolarHBondContact O-N 3.02Å; V1205-N1209 PolarHBondContact O-ND2 3.19Å; V1205-N1209 VanDerWaalsContact O-ND2 3.11Å; V1205-N1209 PolarHBondContact O-OD1 3.4Å |
| 1206 | Q | 81.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 178.1 | -65.8 | 162.7 | -8.6 | 0 | 0 | 110.4 | R1041 F1044 T1045 T1048 L1201 F1202 N1203 N1204 C1208 N1209 L1210 | R1041-Q1206 PolarHBondContact O-NE2 3.25Å; F1044-Q1206 HydrophobicContact CD1-CB 4.37Å; F1044-Q1206 VanDerWaalsContact CD1-CD 3.45Å; F1044-Q1206 HydrophobicContact CD1-CG 3.98Å; F1044-Q1206 VanDerWaalsContact CD1-OE1 3.32Å; F1044-Q1206 HydrophobicContact CE1-CB 4.22Å; F1044-Q1206 HydrophobicContact CE1-CG 4.34Å; T1045-Q1206 HydrophobicContact CG2-CG 4.2Å; T1045-Q1206 VanDerWaalsContact OG1-CG 3.24Å; T1045-Q1206 WeakPolarHBondContact OG1-CG 3.33Å; T1045-Q1206 PolarHBondContact OG1-NE2 3.1Å; T1048-Q1206 HydrophobicContact CG2-CB 4.46Å; L1201-Q1206 PolarHBondContact O-NE2 3.16Å; L1201-Q1206 PolarHBondContact O-OE1 2.99Å; F1202-Q1206 VanDerWaalsContact CA-OE1 3.29Å; N1203-Q1206 HydrophobicContact CB-CG 4.34Å; N1203-Q1206 WeakPolarHBondContact O-CB 3.42Å; N1203-Q1206 PolarHBondContact O-N 3.29Å; N1203-Q1206 VanDerWaalsContact O-N 3.12Å; N1204-Q1206 VanDerWaalsContact C-N 3.32Å; N1204-Q1206 PolarHBondContact O-N 3.02Å; Q1206-C1208 VanDerWaalsContact C-N 3.34Å; Q1206-C1208 PolarHBondContact O-N 2.9Å; Q1206-N1209 PolarHBondContact O-N 3.2Å; Q1206-L1210 WeakPolarHBondContact O-CB 3.18Å; Q1206-L1210 WeakPolarHBondContact O-CD1 3.34Å; Q1206-L1210 VanDerWaalsContact O-CG 3.23Å; Q1206-L1210 WeakPolarHBondContact O-CG 3.16Å; Q1206-L1210 PolarHBondContact O-N 2.95Å |
| 1207 | I | 81.5 | Confident | 76.6 | Confident | 0.4 Ų | 0.4 | 17.3 Ų | 17.3 | 0% | 0.002 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | -178.4 | -61.7 | 171 | 0 | 0 | 0 | 110.3 | M1148 F1202 N1203 N1204 V1205 L1210 I1211 L1366 I1375 L1378 | M1148-I1207 HydrophobicContact CE-CD1 3.68Å; M1148-I1207 VanDerWaalsContact CE-CD1 3.41Å; M1148-I1207 HydrophobicContact SD-CD1 4.17Å; F1202-I1207 HydrophobicContact CB-CD1 4.45Å; N1203-I1207 PolarHBondContact O-N 3.2Å; N1204-I1207 PolarHBondContact O-N 3Å; V1205-I1207 VanDerWaalsContact C-N 3.33Å; V1205-I1207 PolarHBondContact O-N 2.77Å; I1207-L1210 PolarHBondContact O-N 3.11Å; I1207-I1211 HydrophobicContact CG2-CD1 3.65Å; I1207-I1211 HydrophobicContact CG2-CG1 4.31Å; I1207-I1211 WeakPolarHBondContact O-CB 3.23Å; I1207-I1211 VanDerWaalsContact O-CG1 3.23Å; I1207-I1211 WeakPolarHBondContact O-CG1 3.35Å; I1207-I1211 PolarHBondContact O-N 3Å; I1207-L1366 HydrophobicContact CG2-CD1 4.49Å; I1207-I1375 HydrophobicContact CD1-CD1 3.56Å; I1207-I1375 VanDerWaalsContact CD1-CD1 3.48Å; I1207-I1375 HydrophobicContact CD1-CG1 3.94Å; I1207-I1375 HydrophobicContact CD1-CG2 4.26Å; I1207-L1378 HydrophobicContact CB-CD2 4.34Å; I1207-L1378 HydrophobicContact CG2-CD2 4.01Å |
| 1208 | C | 82.4 | Confident | 78.1 | Confident | 13 Ų | 13 | 16.6 Ų | 16.6 | 9% | 0.088 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.9 | -50.5 | 174.2 | -170 | 0 | 0 | 0 | 0 | 111.7 | M709 N1204 V1205 Q1206 L1210 I1211 E1212 R1227 L1378 | M709-C1208 HydrophobicContact CE-CB 3.87Å; M709-C1208 HydrophobicContact SD-CB 3.71Å; N1204-C1208 VanDerWaalsContact O-CB 3.3Å; N1204-C1208 WeakPolarHBondContact O-CB 3.23Å; N1204-C1208 PolarHBondContact O-N 2.99Å; V1205-C1208 WeakPolarHBondContact O-CB 3.48Å; V1205-C1208 PolarHBondContact O-N 2.95Å; Q1206-C1208 VanDerWaalsContact C-N 3.34Å; Q1206-C1208 PolarHBondContact O-N 2.9Å; C1208-L1210 VanDerWaalsContact C-N 3.34Å; C1208-L1210 PolarHBondContact O-N 3.09Å; C1208-I1211 PolarHBondContact O-N 3.07Å; C1208-E1212 WeakPolarHBondContact O-CB 3.31Å; C1208-E1212 VanDerWaalsContact O-CG 3.3Å; C1208-E1212 WeakPolarHBondContact O-CG 3.26Å; C1208-E1212 PolarHBondContact O-N 3.03Å; C1208-E1212 PolarHBondContact SG-OE1 3.21Å; C1208-E1212 VanDerWaalsContact SG-OE1 3.35Å; C1208-R1227 PolarHBondContact SG-NH1 2.92Å; C1208-R1227 PolarHBondContact SG-NH2 3.24Å; C1208-L1378 HydrophobicContact CB-CD1 3.8Å; C1208-L1378 VanDerWaalsContact CB-CD1 3.47Å; C1208-L1378 HydrophobicContact CB-CD2 3.81Å; C1208-L1378 WeakPolarHBondContact SG-CD1 3.35Å |
| 1209 | N | 82.8 | Confident | 79.1 | Confident | 5.2 Ų | 5.2 | 15.6 Ų | 15.6 | 3% | 0.028 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 178 | -72.1 | -22.8 | 0 | 0 | 0 | 111.7 | R711 T1048 I1049 N1052 V1205 Q1206 I1211 E1212 F1213 R1227 | R711-N1209 PolarHBondContact NH2-ND2 3.47Å; R711-N1209 PolarHBondContact NH2-OD1 3.18Å; T1048-N1209 PolarHBondContact OG1-ND2 3.11Å; I1049-N1209 WeakPolarHBondContact CA-ND2 3.02Å; I1049-N1209 VanDerWaalsContact CG1-ND2 3.3Å; I1049-N1209 WeakPolarHBondContact CG1-ND2 3.37Å; N1052-N1209 HydrophobicContact CB-CB 4Å; N1052-N1209 PolarHBondContact ND2-OD1 3.02Å; V1205-N1209 VanDerWaalsContact O-CB 3.29Å; V1205-N1209 WeakPolarHBondContact O-CB 3.34Å; V1205-N1209 VanDerWaalsContact O-CG 3.23Å; V1205-N1209 PolarHBondContact O-N 3.02Å; V1205-N1209 PolarHBondContact O-ND2 3.19Å; V1205-N1209 VanDerWaalsContact O-ND2 3.11Å; V1205-N1209 PolarHBondContact O-OD1 3.4Å; Q1206-N1209 PolarHBondContact O-N 3.2Å; N1209-I1211 PolarHBondContact O-N 3.16Å; N1209-E1212 PolarHBondContact O-N 3.05Å; N1209-F1213 WeakPolarHBondContact O-CD1 3.43Å; N1209-F1213 PolarHBondContact O-N 2.97Å; N1209-F1213 VanDerWaalsContact O-N 3.11Å; N1209-R1227 PolarHBondContact OD1-NH1 3.38Å; N1209-R1227 VanDerWaalsContact OD1-NH1 3.1Å; N1209-R1227 PolarHBondContact OD1-NH2 3.29Å |
| 1210 | L | 87 | Confident | 80.2 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 176.7 | -73.1 | 163.9 | 0 | 0 | 0 | 111.6 | F1044 T1048 L1140 L1141 I1144 Q1206 I1207 C1208 E1212 F1213 T1214 | F1044-L1210 HydrophobicContact CE1-CD1 4.41Å; F1044-L1210 HydrophobicContact CZ-CD1 3.9Å; T1048-L1210 HydrophobicContact CG2-CD1 4.38Å; T1048-L1210 HydrophobicContact CG2-CD2 4.04Å; T1048-L1210 HydrophobicContact CG2-CG 3.95Å; L1140-L1210 HydrophobicContact CB-CD2 4.12Å; L1140-L1210 HydrophobicContact CD1-CD2 3.83Å; L1141-L1210 HydrophobicContact CD1-CB 4.4Å; L1141-L1210 HydrophobicContact CD2-CB 3.66Å; L1141-L1210 HydrophobicContact CD2-CD1 4.22Å; L1141-L1210 HydrophobicContact CG-CB 4Å; I1144-L1210 HydrophobicContact CD1-CD1 3.6Å; Q1206-L1210 WeakPolarHBondContact O-CB 3.18Å; Q1206-L1210 WeakPolarHBondContact O-CD1 3.34Å; Q1206-L1210 VanDerWaalsContact O-CG 3.23Å; Q1206-L1210 WeakPolarHBondContact O-CG 3.16Å; Q1206-L1210 PolarHBondContact O-N 2.95Å; I1207-L1210 PolarHBondContact O-N 3.11Å; C1208-L1210 VanDerWaalsContact C-N 3.34Å; C1208-L1210 PolarHBondContact O-N 3.09Å; L1210-E1212 PolarHBondContact O-N 2.72Å; L1210-F1213 VanDerWaalsContact CA-CE1 3.49Å; L1210-F1213 HydrophobicContact CB-CE1 4.36Å; L1210-F1213 HydrophobicContact CD2-CE1 3.73Å; L1210-F1213 HydrophobicContact CD2-CZ 3.74Å; L1210-F1213 HydrophobicContact CG-CE1 4.32Å; L1210-T1214 WeakPolarHBondContact O-CB 3.25Å; L1210-T1214 PolarHBondContact O-N 3.26Å; L1210-T1214 VanDerWaalsContact O-N 3.13Å; L1210-T1214 PolarHBondContact O-OG1 3.1Å |
| 1211 | I | 86.6 | Confident | 81 | Confident | 0.2 Ų | 0.2 | 9.2 Ų | 9.2 | 0% | 0.001 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 178.7 | -68.4 | 171.2 | 0 | 0 | 0 | 110.6 | L1141 I1207 C1208 N1209 T1214 H1215 F1359 L1363 L1366 L1378 F1382 | L1141-I1211 HydrophobicContact CD1-CG1 4.05Å; L1141-I1211 HydrophobicContact CD2-CG1 3.9Å; I1207-I1211 HydrophobicContact CG2-CD1 3.65Å; I1207-I1211 HydrophobicContact CG2-CG1 4.31Å; I1207-I1211 WeakPolarHBondContact O-CB 3.23Å; I1207-I1211 VanDerWaalsContact O-CG1 3.23Å; I1207-I1211 WeakPolarHBondContact O-CG1 3.35Å; I1207-I1211 PolarHBondContact O-N 3Å; C1208-I1211 PolarHBondContact O-N 3.07Å; N1209-I1211 PolarHBondContact O-N 3.16Å; I1211-T1214 PolarHBondContact O-N 3.17Å; I1211-H1215 WeakPolarHBondContact O-CB 3.4Å; I1211-H1215 PolarHBondContact O-N 3.4Å; I1211-F1359 HydrophobicContact CG2-CZ 4.08Å; I1211-L1363 HydrophobicContact CD1-CD2 3.77Å; I1211-L1363 HydrophobicContact CG1-CD2 4.17Å; I1211-L1363 HydrophobicContact CG2-CD2 4.28Å; I1211-L1366 HydrophobicContact CD1-CD1 4.37Å; I1211-L1378 HydrophobicContact CD1-CD2 3.78Å; I1211-L1378 VanDerWaalsContact CD1-CD2 3.45Å; I1211-L1378 HydrophobicContact CD1-CG 4.24Å; I1211-F1382 HydrophobicContact CB-CD2 4.45Å; I1211-F1382 HydrophobicContact CB-CE2 4.45Å; I1211-F1382 HydrophobicContact CG2-CB 3.94Å; I1211-F1382 HydrophobicContact CG2-CD1 3.44Å; I1211-F1382 VanDerWaalsContact CG2-CD1 3.46Å; I1211-F1382 HydrophobicContact CG2-CD2 3.5Å; I1211-F1382 VanDerWaalsContact CG2-CD2 3.47Å; I1211-F1382 HydrophobicContact CG2-CE1 3.77Å; I1211-F1382 HydrophobicContact CG2-CE2 3.82Å; I1211-F1382 HydrophobicContact CG2-CG 3.32Å; I1211-F1382 HydrophobicContact CG2-CZ 3.95Å |
| 1212 | E | 83.9 | Confident | 81.2 | Confident | 23.2 Ų | 23.2 | 8.8 Ų | 8.8 | 11% | 0.108 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.1 | -57.3 | -179.7 | -80.4 | 178.5 | -172.7 | 0 | 0 | 112.4 | N1052 C1208 N1209 L1210 T1214 H1215 Q1216 R1227 Y1229 F1382 | N1052-E1212 PolarHBondContact ND2-OE2 3.28Å; N1052-E1212 PolarHBondContact OD1-OE2 3.42Å; C1208-E1212 WeakPolarHBondContact O-CB 3.31Å; C1208-E1212 VanDerWaalsContact O-CG 3.3Å; C1208-E1212 WeakPolarHBondContact O-CG 3.26Å; C1208-E1212 PolarHBondContact O-N 3.03Å; C1208-E1212 PolarHBondContact SG-OE1 3.21Å; C1208-E1212 VanDerWaalsContact SG-OE1 3.35Å; N1209-E1212 PolarHBondContact O-N 3.05Å; L1210-E1212 PolarHBondContact O-N 2.72Å; E1212-T1214 VanDerWaalsContact C-N 3.33Å; E1212-T1214 PolarHBondContact O-N 3.18Å; E1212-H1215 PolarHBondContact O-N 3.06Å; E1212-Q1216 WeakPolarHBondContact O-CB 2.94Å; E1212-Q1216 VanDerWaalsContact O-CG 3.3Å; E1212-Q1216 WeakPolarHBondContact O-CG 3.31Å; E1212-Q1216 PolarHBondContact O-N 3.31Å; E1212-R1227 VanDerWaalsContact CD-NH2 3.35Å; E1212-R1227 IonicContact OE1-CZ 2.83Å; E1212-R1227 IonicContact OE1-NE 2.55Å; E1212-R1227 PolarHBondContact OE1-NE 3.34Å; E1212-R1227 IonicContact OE1-NH1 2.97Å; E1212-R1227 PolarHBondContact OE1-NH1 3.32Å; E1212-R1227 IonicContact OE1-NH2 3.64Å; E1212-R1227 PolarHBondContact OE1-NH2 3.42Å; E1212-R1227 IonicContact OE2-CZ 3.58Å; E1212-R1227 IonicContact OE2-NH2 3.73Å; E1212-R1227 PolarHBondContact OE2-NH2 3.41Å; E1212-Y1229 PolarHBondContact OE1-OH 3.49Å; E1212-Y1229 PolarHBondContact OE2-OH 2.95Å; E1212-F1382 HydrophobicContact CG-CE1 4.25Å; E1212-F1382 HydrophobicContact CG-CZ 3.66Å |
| 1213 | F | 85 | Confident | 80.7 | Confident | 1.2 Ų | 1.2 | 10.1 Ų | 10.1 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -70.1 | -32.9 | -177.4 | 78.4 | -110.9 | 0 | 0 | 0 | 111.9 | M1051 N1052 M1055 N1209 L1210 H1215 Q1216 A1217 | M1051-F1213 HydrophobicContact CB-CD1 4.49Å; M1051-F1213 HydrophobicContact CB-CE1 4.33Å; M1051-F1213 HydrophobicContact CE-CD2 4.36Å; M1051-F1213 HydrophobicContact CE-CE2 4.31Å; M1051-F1213 HydrophobicContact CG-CD1 4.05Å; M1051-F1213 HydrophobicContact CG-CD2 4.48Å; M1051-F1213 HydrophobicContact CG-CE1 3.84Å; M1051-F1213 HydrophobicContact CG-CE2 4.37Å; M1051-F1213 HydrophobicContact CG-CG 4.44Å; M1051-F1213 HydrophobicContact CG-CZ 4.09Å; N1052-F1213 HydrophobicContact CB-CD1 4.33Å; M1055-F1213 HydrophobicContact CB-CB 4.22Å; M1055-F1213 HydrophobicContact CG-CB 4.48Å; N1209-F1213 WeakPolarHBondContact O-CD1 3.43Å; N1209-F1213 PolarHBondContact O-N 2.97Å; N1209-F1213 VanDerWaalsContact O-N 3.11Å; L1210-F1213 VanDerWaalsContact CA-CE1 3.49Å; L1210-F1213 HydrophobicContact CB-CE1 4.36Å; L1210-F1213 HydrophobicContact CD2-CE1 3.73Å; L1210-F1213 HydrophobicContact CD2-CZ 3.74Å; L1210-F1213 HydrophobicContact CG-CE1 4.32Å; F1213-H1215 VanDerWaalsContact C-N 3.34Å; F1213-Q1216 PolarHBondContact O-N 3.21Å; F1213-A1217 VanDerWaalsContact O-CB 3.28Å; F1213-A1217 WeakPolarHBondContact O-CB 3.3Å; F1213-A1217 PolarHBondContact O-N 3.28Å |
| 1214 | T | 87.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 175.5 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | L1134 G1137 L1138 L1141 L1210 I1211 E1212 A1217 L1218 F1359 | L1134-T1214 HydrophobicContact CD1-CG2 3.82Å; L1134-T1214 WeakPolarHBondContact CD1-O 3.49Å; G1137-T1214 VanDerWaalsContact CA-OG1 3.25Å; G1137-T1214 WeakPolarHBondContact CA-OG1 3.14Å; L1138-T1214 HydrophobicContact CD2-CG2 3.86Å; L1138-T1214 HydrophobicContact CG-CG2 4.04Å; L1141-T1214 HydrophobicContact CD1-CG2 4.24Å; L1210-T1214 WeakPolarHBondContact O-CB 3.25Å; L1210-T1214 PolarHBondContact O-N 3.26Å; L1210-T1214 VanDerWaalsContact O-N 3.13Å; L1210-T1214 PolarHBondContact O-OG1 3.1Å; I1211-T1214 PolarHBondContact O-N 3.17Å; E1212-T1214 VanDerWaalsContact C-N 3.33Å; E1212-T1214 PolarHBondContact O-N 3.18Å; T1214-A1217 PolarHBondContact O-N 3.18Å; T1214-L1218 VanDerWaalsContact O-CB 3.22Å; T1214-L1218 WeakPolarHBondContact O-CB 3.23Å; T1214-L1218 PolarHBondContact O-N 3.19Å; T1214-F1359 HydrophobicContact CG2-CD2 3.85Å; T1214-F1359 HydrophobicContact CG2-CE2 3.73Å; T1214-F1359 HydrophobicContact CG2-CZ 4.49Å |
| 1215 | H | 86.1 | Confident | 78.9 | Confident | 3 Ų | 3 | 13 Ų | 13 | 1% | 0.014 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 178.5 | 177.3 | -101.6 | 0 | 0 | 0 | 112.5 | I1211 E1212 F1213 A1217 L1218 F1219 L1221 F1359 F1382 Q1386 | I1211-H1215 WeakPolarHBondContact O-CB 3.4Å; I1211-H1215 PolarHBondContact O-N 3.4Å; E1212-H1215 PolarHBondContact O-N 3.06Å; F1213-H1215 VanDerWaalsContact C-N 3.34Å; H1215-A1217 VanDerWaalsContact C-N 3.35Å; H1215-A1217 PolarHBondContact O-N 2.96Å; H1215-L1218 WeakPolarHBondContact O-CB 3.21Å; H1215-L1218 PolarHBondContact O-N 3.27Å; H1215-F1219 AromaticContact CD2-CD2 3.34Å; H1215-F1219 WeakPolarHBondContact CD2-CD2 3.3Å; H1215-F1219 AromaticContact CD2-CE2 3.46Å; H1215-F1219 VanDerWaalsContact CD2-CE2 3.45Å; H1215-F1219 WeakPolarHBondContact CD2-CE2 3.35Å; H1215-F1219 AromaticContact CE1-CD2 3.97Å; H1215-F1219 AromaticContact NE2-CD2 3.21Å; H1215-F1219 VanDerWaalsContact NE2-CD2 3.3Å; H1215-F1219 WeakPolarHBondContact NE2-CD2 3.43Å; H1215-F1219 AromaticContact NE2-CE2 3.43Å; H1215-F1219 WeakPolarHBondContact NE2-CE2 3.31Å; H1215-F1219 PolarHBondContact O-N 3.3Å; H1215-F1219 VanDerWaalsContact O-N 3.11Å; H1215-L1221 VanDerWaalsContact CE1-CD1 3.46Å; H1215-L1221 WeakPolarHBondContact CE1-CD1 3.3Å; H1215-L1221 WeakPolarHBondContact ND1-CD1 3.41Å; H1215-F1359 HydrophobicContact CB-CE1 4.31Å; H1215-F1359 HydrophobicContact CB-CZ 4.12Å; H1215-F1359 AromaticContact CD2-CE1 3.99Å; H1215-F1382 HydrophobicContact CB-CD1 4.41Å; H1215-F1382 HydrophobicContact CB-CE1 4.4Å; H1215-Q1386 PolarHBondContact CD2-OE1 3.43Å; H1215-Q1386 VanDerWaalsContact CE1-CB 3.46Å; H1215-Q1386 WeakPolarHBondContact CE1-CB 3.31Å; H1215-Q1386 VanDerWaalsContact CE1-CD 3.49Å; H1215-Q1386 PolarHBondContact CE1-OE1 3.1Å; H1215-Q1386 PolarHBondContact ND1-OE1 3.02Å; H1215-Q1386 VanDerWaalsContact NE2-CB 3.3Å; H1215-Q1386 WeakPolarHBondContact NE2-CB 3.36Å; H1215-Q1386 PolarHBondContact NE2-OE1 3.07Å |
| 1216 | Q | 83.7 | Confident | 77.5 | Confident | 20 Ų | 20 | 17.4 Ų | 17.4 | 9% | 0.093 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 175.9 | -73.3 | 176.7 | 12.2 | 0 | 0 | 112.3 | N1056 E1212 F1213 L1218 N1220 L1221 | N1056-Q1216 PolarHBondContact OD1-NE2 3.09Å; N1056-Q1216 PolarHBondContact OD1-OE1 3.03Å; E1212-Q1216 WeakPolarHBondContact O-CB 2.94Å; E1212-Q1216 VanDerWaalsContact O-CG 3.3Å; E1212-Q1216 WeakPolarHBondContact O-CG 3.31Å; E1212-Q1216 PolarHBondContact O-N 3.31Å; F1213-Q1216 PolarHBondContact O-N 3.21Å; Q1216-L1218 VanDerWaalsContact C-N 3.33Å; Q1216-L1218 PolarHBondContact O-N 2.99Å; Q1216-N1220 PolarHBondContact O-N 2.97Å; Q1216-N1220 VanDerWaalsContact O-N 3.16Å; Q1216-L1221 HydrophobicContact CB-CB 4.35Å; Q1216-L1221 HydrophobicContact CG-CB 4.28Å; Q1216-L1221 HydrophobicContact CG-CD1 4.25Å; Q1216-L1221 PolarHBondContact O-N 3.04Å; Q1216-L1221 VanDerWaalsContact O-N 3.16Å |
| 1217 | A | 84.8 | Confident | 75.7 | Confident | 2.2 Ų | 2.2 | 21.5 Ų | 21.5 | 2% | 0.018 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1065 R1130 L1134 F1213 T1214 H1215 F1219 | R1065-A1217 VanDerWaalsContact CD-O 3.23Å; R1065-A1217 WeakPolarHBondContact CD-O 3.38Å; R1130-A1217 HydrophobicContact CG-CB 3.99Å; L1134-A1217 HydrophobicContact CB-CB 4Å; L1134-A1217 HydrophobicContact CD1-CB 4.5Å; F1213-A1217 VanDerWaalsContact O-CB 3.28Å; F1213-A1217 WeakPolarHBondContact O-CB 3.3Å; F1213-A1217 PolarHBondContact O-N 3.28Å; T1214-A1217 PolarHBondContact O-N 3.18Å; H1215-A1217 VanDerWaalsContact C-N 3.35Å; H1215-A1217 PolarHBondContact O-N 2.96Å; A1217-F1219 PolarHBondContact O-N 3.18Å |
| 1218 | L | 84.7 | Confident | 73.8 | Confident | 0.6 Ų | 0.6 | 24.4 Ų | 24.4 | 0% | 0.003 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | -178.8 | -174.3 | 68.5 | 0 | 0 | 0 | 112.4 | R1065 L1134 T1214 H1215 Q1216 E1355 I1356 F1359 | R1065-L1218 PolarHBondContact NH1-O 3.2Å; R1065-L1218 VanDerWaalsContact NH1-O 3.11Å; L1134-L1218 HydrophobicContact CD1-CB 3.85Å; L1134-L1218 HydrophobicContact CD1-CD1 3.88Å; L1134-L1218 HydrophobicContact CD1-CG 4.47Å; L1134-L1218 HydrophobicContact CD2-CD1 4.05Å; T1214-L1218 VanDerWaalsContact O-CB 3.22Å; T1214-L1218 WeakPolarHBondContact O-CB 3.23Å; T1214-L1218 PolarHBondContact O-N 3.19Å; H1215-L1218 WeakPolarHBondContact O-CB 3.21Å; H1215-L1218 PolarHBondContact O-N 3.27Å; Q1216-L1218 VanDerWaalsContact C-N 3.33Å; Q1216-L1218 PolarHBondContact O-N 2.99Å; L1218-E1355 HydrophobicContact CD1-CB 3.93Å; L1218-I1356 HydrophobicContact CD1-CB 4.42Å; L1218-I1356 HydrophobicContact CD1-CG1 3.65Å; L1218-I1356 HydrophobicContact CD2-CB 4.41Å; L1218-I1356 HydrophobicContact CD2-CG1 4Å; L1218-I1356 HydrophobicContact CD2-CG2 4.39Å; L1218-I1356 HydrophobicContact CG-CG1 3.85Å; L1218-F1359 HydrophobicContact CD2-CB 4.06Å; L1218-F1359 HydrophobicContact CD2-CD1 3.5Å; L1218-F1359 VanDerWaalsContact CD2-CD1 3.44Å; L1218-F1359 HydrophobicContact CD2-CE1 4.14Å; L1218-F1359 HydrophobicContact CD2-CG 3.94Å |
| 1219 | F | 80.6 | Confident | 72 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 10.9 | -172.1 | -71.8 | -65.5 | 0 | 0 | 0 | 115.2 | H1215 A1217 L1221 R1325 L1328 I1350 I1356 L1387 F1390 V1391 | H1215-F1219 AromaticContact CD2-CD2 3.34Å; H1215-F1219 WeakPolarHBondContact CD2-CD2 3.3Å; H1215-F1219 AromaticContact CD2-CE2 3.46Å; H1215-F1219 VanDerWaalsContact CD2-CE2 3.45Å; H1215-F1219 WeakPolarHBondContact CD2-CE2 3.35Å; H1215-F1219 AromaticContact CE1-CD2 3.97Å; H1215-F1219 AromaticContact NE2-CD2 3.21Å; H1215-F1219 VanDerWaalsContact NE2-CD2 3.3Å; H1215-F1219 WeakPolarHBondContact NE2-CD2 3.43Å; H1215-F1219 AromaticContact NE2-CE2 3.43Å; H1215-F1219 WeakPolarHBondContact NE2-CE2 3.31Å; H1215-F1219 PolarHBondContact O-N 3.3Å; H1215-F1219 VanDerWaalsContact O-N 3.11Å; A1217-F1219 PolarHBondContact O-N 3.18Å; F1219-L1221 VanDerWaalsContact C-N 3.25Å; F1219-L1221 HydrophobicContact CB-CD1 4.06Å; F1219-L1221 HydrophobicContact CB-CD2 3.73Å; F1219-L1221 HydrophobicContact CB-CG 3.83Å; F1219-L1221 PolarHBondContact O-N 3.09Å; F1219-R1325 VanDerWaalsContact O-CG 3.29Å; F1219-R1325 WeakPolarHBondContact O-CG 3.47Å; F1219-R1325 PolarHBondContact O-NE 3.31Å; F1219-R1325 VanDerWaalsContact O-NE 3.1Å; F1219-L1328 VanDerWaalsContact C-CD1 3.43Å; F1219-I1350 HydrophobicContact CD1-CD1 3.62Å; F1219-I1350 VanDerWaalsContact CD1-CD1 3.48Å; F1219-I1350 HydrophobicContact CE1-CB 4.44Å; F1219-I1350 HydrophobicContact CE1-CD1 4.23Å; F1219-I1350 HydrophobicContact CE1-CG2 4.43Å; F1219-I1356 HydrophobicContact CE1-CD1 4.02Å; F1219-I1356 HydrophobicContact CE1-CG1 4.39Å; F1219-I1356 HydrophobicContact CE1-CG2 4.37Å; F1219-I1356 HydrophobicContact CZ-CG2 4.12Å; F1219-L1387 HydrophobicContact CE2-CD2 3.88Å; F1219-L1387 HydrophobicContact CE2-CG 4.31Å; F1219-L1387 HydrophobicContact CZ-CD2 3.7Å; F1219-L1387 HydrophobicContact CZ-CG 4.35Å; F1219-F1390 HydrophobicContact CD1-CB 4.28Å; F1219-F1390 HydrophobicContact CD1-CD2 4.43Å; F1219-F1390 HydrophobicContact CD2-CD2 4.33Å; F1219-F1390 HydrophobicContact CE1-CB 4.09Å; F1219-F1390 HydrophobicContact CE2-CD2 4.44Å; F1219-F1390 HydrophobicContact CG-CD2 4.35Å; F1219-F1390 HydrophobicContact CZ-CB 4.39Å; F1219-V1391 HydrophobicContact CE1-CG2 3.58Å; F1219-V1391 VanDerWaalsContact CE1-CG2 3.45Å; F1219-V1391 HydrophobicContact CZ-CG2 3.89Å |
| 1220 | N | 79.9 | Confident | 70.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 42.5 | -174.2 | -70.4 | -21.1 | 0 | 0 | 0 | 112.3 | P1064 R1065 R1130 Q1216 L1324 R1325 L1328 | P1064-N1220 HydrophobicContact CB-CB 4.43Å; P1064-N1220 WeakPolarHBondContact CB-ND2 3.3Å; R1065-N1220 WeakPolarHBondContact CB-OD1 3.38Å; R1065-N1220 WeakPolarHBondContact CG-OD1 3.48Å; R1065-N1220 PolarHBondContact N-ND2 3.23Å; R1065-N1220 PolarHBondContact N-OD1 3.12Å; R1065-N1220 PolarHBondContact O-ND2 3.3Å; R1130-N1220 WeakPolarHBondContact CD-OD1 3.37Å; R1130-N1220 VanDerWaalsContact NH1-CA 3.31Å; R1130-N1220 VanDerWaalsContact NH1-CB 3.26Å; R1130-N1220 PolarHBondContact NH1-OD1 3.05Å; Q1216-N1220 PolarHBondContact O-N 2.97Å; Q1216-N1220 VanDerWaalsContact O-N 3.16Å; N1220-L1324 HydrophobicContact CB-CB 4.24Å; N1220-L1324 WeakPolarHBondContact CB-O 3.34Å; N1220-L1324 PolarHBondContact ND2-O 3.3Å; N1220-L1324 WeakPolarHBondContact O-CB 3.41Å; N1220-R1325 HydrophobicContact CB-CG 4.35Å; N1220-L1328 HydrophobicContact CB-CD1 3.97Å; N1220-L1328 HydrophobicContact CB-CG 4.48Å; N1220-L1328 WeakPolarHBondContact ND2-CD1 3.47Å; N1220-L1328 WeakPolarHBondContact ND2-CG 3.22Å |
| 1221 | L | 77.2 | Confident | 68.3 | Low | 3.6 Ų | 3.6 | 29 Ų | 29 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | trans | -77.3 | 139.3 | -177.4 | -63.5 | 173.7 | 0 | 0 | 0 | 111.1 | H1215 Q1216 F1219 L1321 F1390 | H1215-L1221 VanDerWaalsContact CE1-CD1 3.46Å; H1215-L1221 WeakPolarHBondContact CE1-CD1 3.3Å; H1215-L1221 WeakPolarHBondContact ND1-CD1 3.41Å; Q1216-L1221 HydrophobicContact CB-CB 4.35Å; Q1216-L1221 HydrophobicContact CG-CB 4.28Å; Q1216-L1221 HydrophobicContact CG-CD1 4.25Å; Q1216-L1221 PolarHBondContact O-N 3.04Å; Q1216-L1221 VanDerWaalsContact O-N 3.16Å; F1219-L1221 VanDerWaalsContact C-N 3.25Å; F1219-L1221 HydrophobicContact CB-CD1 4.06Å; F1219-L1221 HydrophobicContact CB-CD2 3.73Å; F1219-L1221 HydrophobicContact CB-CG 3.83Å; F1219-L1221 PolarHBondContact O-N 3.09Å; L1221-L1321 HydrophobicContact CD2-CD1 3.9Å; L1221-F1390 HydrophobicContact CD1-CE2 4.42Å; L1221-F1390 HydrophobicContact CD2-CE2 4.45Å; L1221-F1390 HydrophobicContact CD2-CZ 4.28Å | ||
| 1222 | P | 72.2 | Confident | 66.5 | Low | 8.8 Ų | 8.8 | 31.6 Ų | 31.6 | 6% | 0.057 | 15% | 0.15 | C | C | . | . | trans | -70.9 | 175.4 | 163.7 | 34.4 | -35.1 | 0 | 0 | 0 | 110.4 | D1060 E1224 K1320 L1321 L1324 | D1060-P1222 VanDerWaalsContact OD1-CA 3.31Å; D1060-P1222 WeakPolarHBondContact OD1-CA 3.31Å; D1060-P1222 VanDerWaalsContact OD1-CB 3.23Å; D1060-P1222 WeakPolarHBondContact OD1-CB 3.32Å; P1222-E1224 PolarHBondContact O-N 2.96Å; P1222-E1224 VanDerWaalsContact O-N 3.11Å; P1222-K1320 HydrophobicContact CB-CD 4.33Å; P1222-K1320 HydrophobicContact CB-CG 4.5Å; P1222-L1321 HydrophobicContact CG-CB 4.13Å; P1222-L1321 HydrophobicContact CG-CD1 3.95Å; P1222-L1321 HydrophobicContact CG-CG 4.17Å; P1222-L1324 HydrophobicContact CB-CD1 4.24Å | ||
| 1223 | M | 65.6 | Low | 64.9 | Low | 31.6 Ų | 31.6 | 32.2 Ų | 32.2 | 16% | 0.156 | 15% | 0.154 | C | C | . | . | trans | -62.4 | 114.4 | 178.4 | -151.3 | -160.4 | 103.8 | 0 | 0 | 111.5 | N1056 S1059 D1060 E1225 L1230 L1231 I1233 I1234 R1235 | N1056-M1223 HydrophobicContact CB-CE 3.19Å; N1056-M1223 HydrophobicContact CB-CG 3.64Å; N1056-M1223 HydrophobicContact CB-SD 3.61Å; N1056-M1223 WeakPolarHBondContact CB-SD 3.34Å; N1056-M1223 WeakPolarHBondContact O-CB 3.33Å; N1056-M1223 VanDerWaalsContact O-CE 3.28Å; N1056-M1223 WeakPolarHBondContact O-CE 3.32Å; N1056-M1223 VanDerWaalsContact O-CG 3.23Å; N1056-M1223 WeakPolarHBondContact O-CG 3.46Å; N1056-M1223 WeakPolarHBondContact OD1-CE 3.46Å; S1059-M1223 WeakPolarHBondContact OG-CA 3.22Å; S1059-M1223 WeakPolarHBondContact OG-CB 3.42Å; S1059-M1223 WeakPolarHBondContact OG-CG 3.41Å; S1059-M1223 PolarHBondContact OG-N 3.17Å; S1059-M1223 VanDerWaalsContact OG-N 3.11Å; D1060-M1223 PolarHBondContact OD1-N 2.97Å; M1223-E1225 VanDerWaalsContact CE-CD 3.49Å; M1223-E1225 HydrophobicContact CE-CG 3.65Å; M1223-E1225 VanDerWaalsContact CE-CG 3.4Å; M1223-E1225 WeakPolarHBondContact CE-O 3.38Å; M1223-E1225 WeakPolarHBondContact CE-OE1 3.3Å; M1223-E1225 HydrophobicContact CG-CG 4.09Å; M1223-E1225 HydrophobicContact SD-CG 4.19Å; M1223-L1230 HydrophobicContact CE-CD1 3.92Å; M1223-L1230 HydrophobicContact CE-CD2 4.36Å; M1223-L1231 HydrophobicContact CE-CB 4.34Å; M1223-L1231 HydrophobicContact SD-CB 3.99Å; M1223-L1231 HydrophobicContact SD-CD1 4.17Å; M1223-I1233 HydrophobicContact CE-CB 3.96Å; M1223-I1233 HydrophobicContact CE-CG2 4.4Å; M1223-I1233 HydrophobicContact SD-CB 4.49Å; M1223-I1233 HydrophobicContact SD-CG2 4.45Å; M1223-I1234 HydrophobicContact CB-CD1 3.65Å; M1223-I1234 HydrophobicContact CE-CB 3.79Å; M1223-I1234 HydrophobicContact CE-CD1 3.45Å; M1223-I1234 HydrophobicContact CE-CG1 3.89Å; M1223-I1234 HydrophobicContact CE-CG2 3.77Å; M1223-I1234 HydrophobicContact CG-CD1 4.07Å; M1223-I1234 HydrophobicContact SD-CD1 3.25Å; M1223-I1234 WeakPolarHBondContact SD-CD1 3.24Å; M1223-I1234 HydrophobicContact SD-CG1 3.86Å; M1223-I1234 HydrophobicContact SD-CG2 3.8Å; M1223-R1235 PolarHBondContact O-NH2 3.12Å | ||
| 1224 | E | 57.7 | Low | 63.3 | Low | 90.8 Ų | 90.8 | 33.9 Ų | 33.9 | 42% | 0.424 | 16% | 0.163 | S | C | . | . | trans | -100.8 | 74.6 | 172.8 | -77.7 | -171.5 | 169 | 0 | 0 | 111.4 | P1222 H1226 | P1222-E1224 PolarHBondContact O-N 2.96Å; P1222-E1224 VanDerWaalsContact O-N 3.11Å; E1224-H1226 PolarHBondContact O-N 3.23Å; E1224-H1226 VanDerWaalsContact O-N 3.11Å; E1224-H1226 IonicContact OE2-CE1 3.76Å; E1224-H1226 PolarHBondContact OE2-CE1 2.86Å; E1224-H1226 IonicContact OE2-NE2 3.66Å; E1224-H1226 PolarHBondContact OE2-NE2 3.35Å | ||
| 1225 | E | 52.2 | Low | 61.5 | Low | 34.4 Ų | 34.4 | 37 Ų | 37 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | trans | -89.5 | 85.3 | 178 | -71.8 | -168.9 | 165.6 | 0 | 0 | 113.3 | M1223 R1227 Y1229 L1231 Q1232 I1233 I1234 R1235 | M1223-E1225 VanDerWaalsContact CE-CD 3.49Å; M1223-E1225 HydrophobicContact CE-CG 3.65Å; M1223-E1225 VanDerWaalsContact CE-CG 3.4Å; M1223-E1225 WeakPolarHBondContact CE-O 3.38Å; M1223-E1225 WeakPolarHBondContact CE-OE1 3.3Å; M1223-E1225 HydrophobicContact CG-CG 4.09Å; M1223-E1225 HydrophobicContact SD-CG 4.19Å; E1225-R1227 VanDerWaalsContact C-N 3.28Å; E1225-R1227 HydrophobicContact CB-CG 3.96Å; E1225-R1227 PolarHBondContact O-N 3.16Å; E1225-R1227 IonicContact OE2-CZ 2.72Å; E1225-R1227 IonicContact OE2-NE 3.86Å; E1225-R1227 PolarHBondContact OE2-NE 3.32Å; E1225-R1227 IonicContact OE2-NH2 2.72Å; E1225-R1227 PolarHBondContact OE2-NH2 3.18Å; E1225-Y1229 HydrophobicContact CB-CD2 4.31Å; E1225-Y1229 HydrophobicContact CB-CE2 4.45Å; E1225-Y1229 HydrophobicContact CG-CD2 4.22Å; E1225-Y1229 HydrophobicContact CG-CE2 4.21Å; E1225-Y1229 VanDerWaalsContact OE1-CB 3.27Å; E1225-Y1229 WeakPolarHBondContact OE1-CB 3.46Å; E1225-Y1229 WeakPolarHBondContact OE1-CD2 3.23Å; E1225-L1231 VanDerWaalsContact CD-CB 3.43Å; E1225-L1231 WeakPolarHBondContact OE1-CB 3.36Å; E1225-L1231 VanDerWaalsContact OE1-CD1 3.29Å; E1225-L1231 WeakPolarHBondContact OE1-CD1 3.46Å; E1225-L1231 VanDerWaalsContact OE1-CG 3.23Å; E1225-L1231 WeakPolarHBondContact OE1-CG 3.32Å; E1225-L1231 WeakPolarHBondContact OE2-CA 3.48Å; E1225-L1231 WeakPolarHBondContact OE2-CB 3.12Å; E1225-Q1232 WeakPolarHBondContact OE2-CA 3.44Å; E1225-Q1232 WeakPolarHBondContact OE2-CB 3.47Å; E1225-Q1232 WeakPolarHBondContact OE2-CG 3.19Å; E1225-Q1232 PolarHBondContact OE2-N 3.02Å; E1225-Q1232 VanDerWaalsContact OE2-N 3.08Å; E1225-I1233 VanDerWaalsContact OE1-CA 3.25Å; E1225-I1233 WeakPolarHBondContact OE1-CA 3.36Å; E1225-I1233 WeakPolarHBondContact OE1-CB 3.28Å; E1225-I1233 PolarHBondContact OE1-N 3.1Å; E1225-I1234 VanDerWaalsContact OE1-CB 3.3Å; E1225-I1234 WeakPolarHBondContact OE1-CB 3.38Å; E1225-I1234 VanDerWaalsContact OE1-CG2 3.3Å; E1225-I1234 WeakPolarHBondContact OE1-CG2 3.29Å; E1225-I1234 PolarHBondContact OE1-N 2.87Å; E1225-R1235 HydrophobicContact CB-CG 4.16Å; E1225-R1235 VanDerWaalsContact CD-N 3.35Å; E1225-R1235 HydrophobicContact CG-CG 4.38Å; E1225-R1235 PolarHBondContact O-NE 3.44Å; E1225-R1235 PolarHBondContact O-NH1 3.16Å; E1225-R1235 PolarHBondContact O-NH2 3Å; E1225-R1235 PolarHBondContact OE1-N 3.23Å; E1225-R1235 WeakPolarHBondContact OE2-CG 3.21Å; E1225-R1235 PolarHBondContact OE2-N 3.15Å | ||
| 1226 | H | 44.6 | Very low | 60.1 | Low | 128.2 Ų | 128.2 | 38 Ų | 38 | 59% | 0.594 | 19% | 0.186 | S | C | * | . | trans | -72.1 | 2.3 | 169.8 | -68.1 | -64.9 | 0 | 0 | 0 | 112.8 | E1224 Q1386 | E1224-H1226 PolarHBondContact O-N 3.23Å; E1224-H1226 VanDerWaalsContact O-N 3.11Å; E1224-H1226 IonicContact OE2-CE1 3.76Å; E1224-H1226 PolarHBondContact OE2-CE1 2.86Å; E1224-H1226 IonicContact OE2-NE2 3.66Å; E1224-H1226 PolarHBondContact OE2-NE2 3.35Å; H1226-Q1386 PolarHBondContact NE2-NE2 3.38Å | ||
| 1227 | R | 43.5 | Very low | 58.7 | Low | 85.4 Ų | 85.4 | 38.7 Ų | 38.7 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -103.6 | 145.4 | -175.5 | -63 | -174 | -175.8 | 172.3 | 5.6 | 111.1 | C1208 N1209 E1212 E1225 Y1229 L1230 Q1232 | C1208-R1227 PolarHBondContact SG-NH1 2.92Å; C1208-R1227 PolarHBondContact SG-NH2 3.24Å; N1209-R1227 PolarHBondContact OD1-NH1 3.38Å; N1209-R1227 VanDerWaalsContact OD1-NH1 3.1Å; N1209-R1227 PolarHBondContact OD1-NH2 3.29Å; E1212-R1227 VanDerWaalsContact CD-NH2 3.35Å; E1212-R1227 IonicContact OE1-CZ 2.83Å; E1212-R1227 IonicContact OE1-NE 2.55Å; E1212-R1227 PolarHBondContact OE1-NE 3.34Å; E1212-R1227 IonicContact OE1-NH1 2.97Å; E1212-R1227 PolarHBondContact OE1-NH1 3.32Å; E1212-R1227 IonicContact OE1-NH2 3.64Å; E1212-R1227 PolarHBondContact OE1-NH2 3.42Å; E1212-R1227 IonicContact OE2-CZ 3.58Å; E1212-R1227 IonicContact OE2-NH2 3.73Å; E1212-R1227 PolarHBondContact OE2-NH2 3.41Å; E1225-R1227 VanDerWaalsContact C-N 3.28Å; E1225-R1227 HydrophobicContact CB-CG 3.96Å; E1225-R1227 PolarHBondContact O-N 3.16Å; E1225-R1227 IonicContact OE2-CZ 2.72Å; E1225-R1227 IonicContact OE2-NE 3.86Å; E1225-R1227 PolarHBondContact OE2-NE 3.32Å; E1225-R1227 IonicContact OE2-NH2 2.72Å; E1225-R1227 PolarHBondContact OE2-NH2 3.18Å; R1227-Y1229 VanDerWaalsContact C-N 3.35Å; R1227-Y1229 HydrophobicContact CB-CD1 4.26Å; R1227-Y1229 HydrophobicContact CB-CD2 4.13Å; R1227-Y1229 HydrophobicContact CB-CE1 3.83Å; R1227-Y1229 HydrophobicContact CB-CE2 3.99Å; R1227-Y1229 HydrophobicContact CB-CG 4.43Å; R1227-Y1229 WeakPolarHBondContact CD-OH 3.38Å; R1227-Y1229 HydrophobicContact CG-CE1 4.21Å; R1227-Y1229 HydrophobicContact CG-CE2 4.26Å; R1227-Y1229 PolarHBondContact NH1-OH 3.27Å; R1227-Y1229 PolarHBondContact O-N 3.33Å; R1227-L1230 PolarHBondContact O-N 3.11Å; R1227-Q1232 PolarHBondContact O-NE2 3.09Å |
| 1228 | P | 41.1 | Very low | 57.3 | Low | 61.2 Ų | 61.2 | 41.7 Ų | 41.7 | 40% | 0.397 | 21% | 0.205 | S | C | . | . | trans | -69 | 45.7 | 179.6 | 29 | -35.3 | 0 | 0 | 0 | 111.9 | Q713 R773 L1230 L1231 Q1232 L1245 N1249 | Q713-P1228 PolarHBondContact NE2-O 3.18Å; R773-P1228 WeakPolarHBondContact CD-O 3.39Å; P1228-L1230 PolarHBondContact O-N 3.02Å; P1228-L1230 VanDerWaalsContact O-N 3.13Å; P1228-L1231 PolarHBondContact O-N 2.76Å; P1228-Q1232 VanDerWaalsContact CA-NE2 3.35Å; P1228-L1245 HydrophobicContact CB-CD1 3.75Å; P1228-N1249 HydrophobicContact CB-CB 4.03Å; P1228-N1249 HydrophobicContact CG-CB 3.74Å; P1228-N1249 VanDerWaalsContact CG-ND2 3.33Å; P1228-N1249 WeakPolarHBondContact CG-ND2 3.05Å | ||
| 1229 | Y | 45.5 | Very low | 55.9 | Low | 55.8 Ų | 55.8 | 41.8 Ų | 41.8 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | trans | -79.5 | 125.9 | 169.7 | -43.7 | -72.9 | 0 | 0 | 0 | 110.4 | H1053 E1212 E1225 R1227 L1231 Q1232 | H1053-Y1229 AromaticContact CE1-CD1 3.54Å; H1053-Y1229 AromaticContact CE1-CD2 3.71Å; H1053-Y1229 AromaticContact CE1-CE1 3.49Å; H1053-Y1229 VanDerWaalsContact CE1-CE1 3.41Å; H1053-Y1229 WeakPolarHBondContact CE1-CE1 3.49Å; H1053-Y1229 PolarHBondContact CE1-O 3.11Å; H1053-Y1229 AromaticContact NE2-CD2 3.5Å; H1053-Y1229 AromaticContact NE2-CE1 3.9Å; E1212-Y1229 PolarHBondContact OE1-OH 3.49Å; E1212-Y1229 PolarHBondContact OE2-OH 2.95Å; E1225-Y1229 HydrophobicContact CB-CD2 4.31Å; E1225-Y1229 HydrophobicContact CB-CE2 4.45Å; E1225-Y1229 HydrophobicContact CG-CD2 4.22Å; E1225-Y1229 HydrophobicContact CG-CE2 4.21Å; E1225-Y1229 VanDerWaalsContact OE1-CB 3.27Å; E1225-Y1229 WeakPolarHBondContact OE1-CB 3.46Å; E1225-Y1229 WeakPolarHBondContact OE1-CD2 3.23Å; R1227-Y1229 VanDerWaalsContact C-N 3.35Å; R1227-Y1229 HydrophobicContact CB-CD1 4.26Å; R1227-Y1229 HydrophobicContact CB-CD2 4.13Å; R1227-Y1229 HydrophobicContact CB-CE1 3.83Å; R1227-Y1229 HydrophobicContact CB-CE2 3.99Å; R1227-Y1229 HydrophobicContact CB-CG 4.43Å; R1227-Y1229 WeakPolarHBondContact CD-OH 3.38Å; R1227-Y1229 HydrophobicContact CG-CE1 4.21Å; R1227-Y1229 HydrophobicContact CG-CE2 4.26Å; R1227-Y1229 PolarHBondContact NH1-OH 3.27Å; R1227-Y1229 PolarHBondContact O-N 3.33Å; Y1229-L1231 WeakPolarHBondContact CB-O 3.4Å; Y1229-L1231 CarbonylContact O-C 3.55Å; Y1229-L1231 PolarHBondContact O-N 3.25Å; Y1229-L1231 VanDerWaalsContact O-N 3.13Å; Y1229-Q1232 WeakPolarHBondContact O-CB 3.15Å; Y1229-Q1232 WeakPolarHBondContact O-CG 3.46Å; Y1229-Q1232 PolarHBondContact O-N 3.16Å; Y1229-Q1232 VanDerWaalsContact O-N 3.16Å | ||
| 1230 | L | 46.2 | Very low | 54.6 | Low | 41.6 Ų | 41.6 | 43.8 Ų | 43.8 | 22% | 0.218 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -67.7 | -15.8 | 174.9 | -84.1 | 146.7 | 0 | 0 | 0 | 112.4 | Y837 P840 S913 N1056 M1223 R1227 P1228 Q1232 I1233 I1234 | Y837-L1230 HydrophobicContact CD1-CD1 3.35Å; Y837-L1230 HydrophobicContact CD1-CD2 3.58Å; Y837-L1230 HydrophobicContact CD1-CG 3.99Å; Y837-L1230 HydrophobicContact CE1-CD1 3.7Å; Y837-L1230 HydrophobicContact CE1-CG 4.47Å; Y837-L1230 HydrophobicContact CG-CD1 4.3Å; Y837-L1230 HydrophobicContact CG-CD2 4.3Å; Y837-L1230 WeakPolarHBondContact O-CD2 3.42Å; P840-L1230 HydrophobicContact CB-CB 4.48Å; P840-L1230 HydrophobicContact CB-CD1 4.47Å; P840-L1230 HydrophobicContact CB-CD2 3.54Å; P840-L1230 HydrophobicContact CB-CG 4.35Å; P840-L1230 HydrophobicContact CG-CD1 3.82Å; P840-L1230 HydrophobicContact CG-CD2 3.84Å; P840-L1230 HydrophobicContact CG-CG 4.2Å; S913-L1230 WeakPolarHBondContact OG-CD1 3.4Å; N1056-L1230 HydrophobicContact CB-CD1 4.33Å; M1223-L1230 HydrophobicContact CE-CD1 3.92Å; M1223-L1230 HydrophobicContact CE-CD2 4.36Å; R1227-L1230 PolarHBondContact O-N 3.11Å; P1228-L1230 PolarHBondContact O-N 3.02Å; P1228-L1230 VanDerWaalsContact O-N 3.13Å; L1230-Q1232 PolarHBondContact O-N 3.23Å; L1230-Q1232 VanDerWaalsContact O-N 3.08Å; L1230-I1233 HydrophobicContact CD2-CD1 3.87Å; L1230-I1233 WeakPolarHBondContact O-CB 3.38Å; L1230-I1233 WeakPolarHBondContact O-CG1 3.38Å; L1230-I1233 PolarHBondContact O-N 3.19Å; L1230-I1234 HydrophobicContact CD2-CD1 4.3Å |
| 1231 | L | 45.9 | Very low | 53.3 | Low | 17 Ų | 17 | 46.8 Ų | 46.8 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -76.8 | 26.1 | 176.3 | -67.9 | 166.4 | 0 | 0 | 0 | 111.6 | Y837 P840 S913 A916 M917 H920 N1056 M1223 E1225 P1228 Y1229 I1233 I1234 | Y837-L1231 HydrophobicContact CD1-CD2 4.44Å; P840-L1231 HydrophobicContact CB-CD1 3.38Å; P840-L1231 HydrophobicContact CB-CD2 4.06Å; P840-L1231 HydrophobicContact CB-CG 4.31Å; P840-L1231 HydrophobicContact CG-CD1 3.5Å; P840-L1231 HydrophobicContact CG-CD2 3.9Å; P840-L1231 HydrophobicContact CG-CG 4.36Å; S913-L1231 WeakPolarHBondContact O-CD1 3.4Å; A916-L1231 HydrophobicContact CB-CD1 4.3Å; A916-L1231 HydrophobicContact CB-CD2 3.81Å; A916-L1231 HydrophobicContact CB-CG 4.41Å; M917-L1231 HydrophobicContact CB-CD1 3.84Å; M917-L1231 HydrophobicContact CB-CD2 4.21Å; M917-L1231 HydrophobicContact CG-CD1 4.4Å; M917-L1231 HydrophobicContact SD-CD1 4.02Å; H920-L1231 HydrophobicContact CB-CD2 4.31Å; N1056-L1231 HydrophobicContact CB-CD1 4.27Å; M1223-L1231 HydrophobicContact CE-CB 4.34Å; M1223-L1231 HydrophobicContact SD-CB 3.99Å; M1223-L1231 HydrophobicContact SD-CD1 4.17Å; E1225-L1231 VanDerWaalsContact CD-CB 3.43Å; E1225-L1231 WeakPolarHBondContact OE1-CB 3.36Å; E1225-L1231 VanDerWaalsContact OE1-CD1 3.29Å; E1225-L1231 WeakPolarHBondContact OE1-CD1 3.46Å; E1225-L1231 VanDerWaalsContact OE1-CG 3.23Å; E1225-L1231 WeakPolarHBondContact OE1-CG 3.32Å; E1225-L1231 WeakPolarHBondContact OE2-CA 3.48Å; E1225-L1231 WeakPolarHBondContact OE2-CB 3.12Å; P1228-L1231 PolarHBondContact O-N 2.76Å; Y1229-L1231 WeakPolarHBondContact CB-O 3.4Å; Y1229-L1231 CarbonylContact O-C 3.55Å; Y1229-L1231 PolarHBondContact O-N 3.25Å; Y1229-L1231 VanDerWaalsContact O-N 3.13Å; L1231-I1233 HydrophobicContact CB-CD1 4.36Å; L1231-I1233 HydrophobicContact CD2-CD1 4.42Å; L1231-I1233 PolarHBondContact O-N 3.19Å; L1231-I1234 HydrophobicContact CB-CD1 3.58Å; L1231-I1234 HydrophobicContact CB-CG1 4.12Å; L1231-I1234 HydrophobicContact CD2-CD1 3.62Å; L1231-I1234 HydrophobicContact CG-CD1 4.18Å; L1231-I1234 WeakPolarHBondContact O-CA 3.22Å; L1231-I1234 VanDerWaalsContact O-CB 3.29Å; L1231-I1234 WeakPolarHBondContact O-CB 3.17Å; L1231-I1234 VanDerWaalsContact O-CG1 3.27Å; L1231-I1234 WeakPolarHBondContact O-CG1 3.23Å; L1231-I1234 PolarHBondContact O-N 3.31Å |
| 1232 | Q | 49.3 | Very low | 52.1 | Low | 55.2 Ų | 55.2 | 47.8 Ų | 47.8 | 26% | 0.258 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -65.3 | -12.9 | 176.7 | -73.1 | 179.2 | -0.3 | 0 | 0 | 112.9 | Y777 E1225 R1227 P1228 Y1229 L1230 I1234 R1235 L1245 | Y777-Q1232 HydrophobicContact CD2-CB 4.21Å; Y777-Q1232 WeakPolarHBondContact CE2-O 3.25Å; E1225-Q1232 WeakPolarHBondContact OE2-CA 3.44Å; E1225-Q1232 WeakPolarHBondContact OE2-CB 3.47Å; E1225-Q1232 WeakPolarHBondContact OE2-CG 3.19Å; E1225-Q1232 PolarHBondContact OE2-N 3.02Å; E1225-Q1232 VanDerWaalsContact OE2-N 3.08Å; R1227-Q1232 PolarHBondContact O-NE2 3.09Å; P1228-Q1232 VanDerWaalsContact CA-NE2 3.35Å; Y1229-Q1232 WeakPolarHBondContact O-CB 3.15Å; Y1229-Q1232 WeakPolarHBondContact O-CG 3.46Å; Y1229-Q1232 PolarHBondContact O-N 3.16Å; Y1229-Q1232 VanDerWaalsContact O-N 3.16Å; L1230-Q1232 PolarHBondContact O-N 3.23Å; L1230-Q1232 VanDerWaalsContact O-N 3.08Å; Q1232-I1234 PolarHBondContact O-N 2.91Å; Q1232-I1234 VanDerWaalsContact O-N 3.11Å; Q1232-R1235 HydrophobicContact CB-CB 4.07Å; Q1232-R1235 HydrophobicContact CG-CB 4.35Å; Q1232-R1235 HydrophobicContact CG-CG 4.42Å; Q1232-R1235 WeakPolarHBondContact O-CB 3.34Å; Q1232-R1235 PolarHBondContact O-N 3.05Å; Q1232-R1235 VanDerWaalsContact OE1-CD 3.3Å; Q1232-L1245 HydrophobicContact CB-CD1 4.48Å; Q1232-L1245 HydrophobicContact CG-CD1 3.98Å |
| 1233 | I | 49.5 | Very low | 51.1 | Low | 35.6 Ų | 35.6 | 53 Ų | 53 | 18% | 0.183 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -65.8 | -33.1 | 178.8 | -59.6 | 168.3 | 0 | 0 | 0 | 111.1 | Y777 Y780 P840 C844 M917 M1223 E1225 L1230 L1231 R1235 G1236 | Y777-I1233 HydrophobicContact CD2-CB 4.49Å; Y777-I1233 HydrophobicContact CD2-CG1 4.11Å; Y780-I1233 HydrophobicContact CD1-CG2 3.84Å; Y780-I1233 HydrophobicContact CD2-CG2 3.66Å; Y780-I1233 HydrophobicContact CE1-CG2 4.34Å; Y780-I1233 WeakPolarHBondContact CE1-O 3.31Å; Y780-I1233 HydrophobicContact CE2-CG2 4.18Å; Y780-I1233 HydrophobicContact CG-CG2 3.46Å; P840-I1233 HydrophobicContact CB-CD1 4.31Å; C844-I1233 HydrophobicContact CB-CG2 3.66Å; C844-I1233 VanDerWaalsContact SG-CG2 3.51Å; M917-I1233 HydrophobicContact SD-CD1 4.38Å; M1223-I1233 HydrophobicContact CE-CB 3.96Å; M1223-I1233 HydrophobicContact CE-CG2 4.4Å; M1223-I1233 HydrophobicContact SD-CB 4.49Å; M1223-I1233 HydrophobicContact SD-CG2 4.45Å; E1225-I1233 VanDerWaalsContact OE1-CA 3.25Å; E1225-I1233 WeakPolarHBondContact OE1-CA 3.36Å; E1225-I1233 WeakPolarHBondContact OE1-CB 3.28Å; E1225-I1233 PolarHBondContact OE1-N 3.1Å; L1230-I1233 HydrophobicContact CD2-CD1 3.87Å; L1230-I1233 WeakPolarHBondContact O-CB 3.38Å; L1230-I1233 WeakPolarHBondContact O-CG1 3.38Å; L1230-I1233 PolarHBondContact O-N 3.19Å; L1231-I1233 HydrophobicContact CB-CD1 4.36Å; L1231-I1233 HydrophobicContact CD2-CD1 4.42Å; L1231-I1233 PolarHBondContact O-N 3.19Å; I1233-R1235 VanDerWaalsContact C-N 3.31Å; I1233-R1235 PolarHBondContact O-N 3.33Å; I1233-G1236 PolarHBondContact O-N 2.78Å; I1233-G1236 VanDerWaalsContact O-N 3.16Å |
| 1234 | I | 51 | Low | 50.3 | Low | 37.2 Ų | 37.2 | 55.4 Ų | 55.4 | 19% | 0.191 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -91.9 | -25.4 | -172.8 | -53.5 | 174.6 | 0 | 0 | 0 | 113.7 | M917 H920 R921 M1223 E1225 L1230 L1231 Q1232 G1236 H1313 | M917-I1234 HydrophobicContact CB-CD1 3.94Å; M917-I1234 HydrophobicContact CB-CG1 4.27Å; M917-I1234 HydrophobicContact CG-CD1 3.93Å; M917-I1234 HydrophobicContact CG-CG1 3.85Å; H920-I1234 HydrophobicContact CB-CD1 3.77Å; H920-I1234 HydrophobicContact CB-CG2 4.33Å; H920-I1234 WeakPolarHBondContact CD2-CG2 3.29Å; H920-I1234 WeakPolarHBondContact NE2-CG2 3.39Å; R921-I1234 HydrophobicContact CG-CD1 4.44Å; R921-I1234 HydrophobicContact CG-CG1 4.43Å; R921-I1234 HydrophobicContact CG-CG2 4.14Å; M1223-I1234 HydrophobicContact CB-CD1 3.65Å; M1223-I1234 HydrophobicContact CE-CB 3.79Å; M1223-I1234 HydrophobicContact CE-CD1 3.45Å; M1223-I1234 HydrophobicContact CE-CG1 3.89Å; M1223-I1234 HydrophobicContact CE-CG2 3.77Å; M1223-I1234 HydrophobicContact CG-CD1 4.07Å; M1223-I1234 HydrophobicContact SD-CD1 3.25Å; M1223-I1234 WeakPolarHBondContact SD-CD1 3.24Å; M1223-I1234 HydrophobicContact SD-CG1 3.86Å; M1223-I1234 HydrophobicContact SD-CG2 3.8Å; E1225-I1234 VanDerWaalsContact OE1-CB 3.3Å; E1225-I1234 WeakPolarHBondContact OE1-CB 3.38Å; E1225-I1234 VanDerWaalsContact OE1-CG2 3.3Å; E1225-I1234 WeakPolarHBondContact OE1-CG2 3.29Å; E1225-I1234 PolarHBondContact OE1-N 2.87Å; L1230-I1234 HydrophobicContact CD2-CD1 4.3Å; L1231-I1234 HydrophobicContact CB-CD1 3.58Å; L1231-I1234 HydrophobicContact CB-CG1 4.12Å; L1231-I1234 HydrophobicContact CD2-CD1 3.62Å; L1231-I1234 HydrophobicContact CG-CD1 4.18Å; L1231-I1234 WeakPolarHBondContact O-CA 3.22Å; L1231-I1234 VanDerWaalsContact O-CB 3.29Å; L1231-I1234 WeakPolarHBondContact O-CB 3.17Å; L1231-I1234 VanDerWaalsContact O-CG1 3.27Å; L1231-I1234 WeakPolarHBondContact O-CG1 3.23Å; L1231-I1234 PolarHBondContact O-N 3.31Å; Q1232-I1234 PolarHBondContact O-N 2.91Å; Q1232-I1234 VanDerWaalsContact O-N 3.11Å; I1234-G1236 PolarHBondContact O-N 3.24Å; I1234-G1236 VanDerWaalsContact O-N 3.13Å; I1234-H1313 PolarHBondContact O-CE1 2.58Å |
| 1235 | R | 50.8 | Low | 49.8 | Very low | 64.2 Ų | 64.2 | 53.3 Ų | 53.3 | 24% | 0.242 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -68.1 | -15.6 | -177.9 | -72.1 | -165 | 173 | 172.4 | -0.8 | 114.2 | M1223 E1225 Q1232 I1233 Q1238 G1239 S1242 D1244 H1313 | M1223-R1235 PolarHBondContact O-NH2 3.12Å; E1225-R1235 HydrophobicContact CB-CG 4.16Å; E1225-R1235 VanDerWaalsContact CD-N 3.35Å; E1225-R1235 HydrophobicContact CG-CG 4.38Å; E1225-R1235 PolarHBondContact O-NE 3.44Å; E1225-R1235 PolarHBondContact O-NH1 3.16Å; E1225-R1235 PolarHBondContact O-NH2 3Å; E1225-R1235 PolarHBondContact OE1-N 3.23Å; E1225-R1235 WeakPolarHBondContact OE2-CG 3.21Å; E1225-R1235 PolarHBondContact OE2-N 3.15Å; Q1232-R1235 HydrophobicContact CB-CB 4.07Å; Q1232-R1235 HydrophobicContact CG-CB 4.35Å; Q1232-R1235 HydrophobicContact CG-CG 4.42Å; Q1232-R1235 WeakPolarHBondContact O-CB 3.34Å; Q1232-R1235 PolarHBondContact O-N 3.05Å; Q1232-R1235 VanDerWaalsContact OE1-CD 3.3Å; I1233-R1235 VanDerWaalsContact C-N 3.31Å; I1233-R1235 PolarHBondContact O-N 3.33Å; R1235-Q1238 HydrophobicContact CB-CB 4.41Å; R1235-Q1238 CarbonylContact O-C 3.55Å; R1235-Q1238 VanDerWaalsContact O-CA 3.3Å; R1235-Q1238 WeakPolarHBondContact O-CA 3.32Å; R1235-Q1238 VanDerWaalsContact O-CB 3.32Å; R1235-Q1238 WeakPolarHBondContact O-CB 3.43Å; R1235-Q1238 PolarHBondContact O-N 3.3Å; R1235-Q1238 VanDerWaalsContact O-N 3.12Å; R1235-G1239 PolarHBondContact O-N 3.16Å; R1235-S1242 PolarHBondContact NH1-OG 3.36Å; R1235-D1244 PolarHBondContact NH1-O 3.34Å; R1235-H1313 PolarHBondContact O-CE1 3.22Å; R1235-H1313 PolarHBondContact O-ND1 3.4Å |
| 1236 | G | 55.9 | Low | 49.6 | Very low | 24.8 Ų | 24.8 | 52.1 Ų | 52.1 | 26% | 0.256 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | 50.2 | -134.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1233 I1234 Q1238 G1239 | I1233-G1236 PolarHBondContact O-N 2.78Å; I1233-G1236 VanDerWaalsContact O-N 3.16Å; I1234-G1236 PolarHBondContact O-N 3.24Å; I1234-G1236 VanDerWaalsContact O-N 3.13Å; G1236-Q1238 VanDerWaalsContact C-N 3.34Å; G1236-Q1238 PolarHBondContact O-N 3.13Å; G1236-Q1238 VanDerWaalsContact O-N 3.11Å; G1236-G1239 PolarHBondContact O-N 3.1Å |
| 1237 | P | 53.8 | Low | 49.7 | Very low | 33.8 Ų | 33.8 | 47 Ų | 47 | 22% | 0.219 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -59.8 | -25.4 | -178.8 | -24.9 | 35.1 | 0 | 0 | 0 | 115.3 | W781 I927 L929 G1239 L1240 I1306 I1309 A1310 | W781-P1237 HydrophobicContact CH2-CG 4.27Å; I927-P1237 HydrophobicContact CD1-CG 4.23Å; L929-P1237 HydrophobicContact CD1-CG 4.17Å; P1237-G1239 VanDerWaalsContact C-N 3.28Å; P1237-G1239 PolarHBondContact O-N 3.07Å; P1237-L1240 HydrophobicContact CB-CD1 4.47Å; P1237-L1240 VanDerWaalsContact O-CB 3.23Å; P1237-L1240 WeakPolarHBondContact O-CB 3.3Å; P1237-L1240 WeakPolarHBondContact O-CG 3.37Å; P1237-L1240 PolarHBondContact O-N 3.26Å; P1237-L1240 VanDerWaalsContact O-N 3.11Å; P1237-I1306 HydrophobicContact CB-CG2 4.16Å; P1237-I1309 HydrophobicContact CB-CB 4.3Å; P1237-I1309 HydrophobicContact CB-CG2 3.66Å; P1237-I1309 VanDerWaalsContact CB-CG2 3.49Å; P1237-I1309 HydrophobicContact CG-CB 4.2Å; P1237-I1309 HydrophobicContact CG-CG2 3.52Å; P1237-I1309 VanDerWaalsContact CG-CG2 3.46Å; P1237-A1310 HydrophobicContact CB-CB 4.28Å; P1237-A1310 WeakPolarHBondContact O-CB 3.37Å |
| 1238 | Q | 55.3 | Low | 49.9 | Very low | 65.4 Ų | 65.4 | 47.4 Ų | 47.4 | 31% | 0.306 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -66.3 | -28.4 | 176.3 | -141.9 | -178.5 | -5.6 | 0 | 0 | 112.3 | R1235 G1236 L1240 L1241 A1310 H1313 H1314 | R1235-Q1238 HydrophobicContact CB-CB 4.41Å; R1235-Q1238 CarbonylContact O-C 3.55Å; R1235-Q1238 VanDerWaalsContact O-CA 3.3Å; R1235-Q1238 WeakPolarHBondContact O-CA 3.32Å; R1235-Q1238 VanDerWaalsContact O-CB 3.32Å; R1235-Q1238 WeakPolarHBondContact O-CB 3.43Å; R1235-Q1238 PolarHBondContact O-N 3.3Å; R1235-Q1238 VanDerWaalsContact O-N 3.12Å; G1236-Q1238 VanDerWaalsContact C-N 3.34Å; G1236-Q1238 PolarHBondContact O-N 3.13Å; G1236-Q1238 VanDerWaalsContact O-N 3.11Å; Q1238-L1240 PolarHBondContact O-N 2.88Å; Q1238-L1240 VanDerWaalsContact O-N 3.08Å; Q1238-L1241 WeakPolarHBondContact O-CB 3.49Å; Q1238-L1241 PolarHBondContact O-N 3.09Å; Q1238-L1241 VanDerWaalsContact O-N 3.12Å; Q1238-A1310 HydrophobicContact CB-CB 4.4Å; Q1238-A1310 HydrophobicContact CG-CB 4.45Å; Q1238-H1313 HydrophobicContact CB-CB 4.45Å; Q1238-H1313 WeakPolarHBondContact CB-ND1 3.31Å; Q1238-H1313 HydrophobicContact CG-CB 4.05Å; Q1238-H1313 VanDerWaalsContact NE2-C 3.27Å; Q1238-H1313 PolarHBondContact NE2-ND1 3.31Å; Q1238-H1313 PolarHBondContact NE2-O 3.26Å; Q1238-H1313 PolarHBondContact OE1-CE1 3.41Å; Q1238-H1313 PolarHBondContact OE1-ND1 3.34Å; Q1238-H1314 HydrophobicContact CG-CB 4.27Å; Q1238-H1314 PolarHBondContact NE2-ND1 3.14Å |
| 1239 | G | 55.4 | Low | 50.2 | Low | 4 Ų | 4 | 47.1 Ų | 47.1 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -60 | -27.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y777 R1235 G1236 P1237 L1241 S1242 L1245 G1246 | Y777-G1239 WeakPolarHBondContact OH-CA 3.47Å; Y777-G1239 PolarHBondContact OH-O 3.29Å; R1235-G1239 PolarHBondContact O-N 3.16Å; G1236-G1239 PolarHBondContact O-N 3.1Å; P1237-G1239 VanDerWaalsContact C-N 3.28Å; P1237-G1239 PolarHBondContact O-N 3.07Å; G1239-L1241 VanDerWaalsContact C-N 3.26Å; G1239-L1241 PolarHBondContact O-N 3.06Å; G1239-S1242 WeakPolarHBondContact O-CB 3.4Å; G1239-S1242 PolarHBondContact O-N 3.3Å; G1239-S1242 VanDerWaalsContact O-N 3.12Å; G1239-S1242 PolarHBondContact O-OG 3.17Å; G1239-S1242 VanDerWaalsContact O-OG 3.06Å; G1239-L1245 WeakPolarHBondContact O-CB 3.47Å; G1239-L1245 VanDerWaalsContact O-CD1 3.27Å; G1239-L1245 WeakPolarHBondContact O-CD1 3.32Å; G1239-L1245 VanDerWaalsContact O-CD2 3.26Å; G1239-L1245 WeakPolarHBondContact O-CD2 3.11Å; G1239-G1246 WeakPolarHBondContact O-CA 3.33Å |
| 1240 | L | 53.9 | Low | 50.4 | Low | 40.4 Ų | 40.4 | 46.4 Ų | 46.4 | 21% | 0.212 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -68.3 | -18.7 | 176.9 | -62.3 | 171.6 | 0 | 0 | 0 | 113.7 | V738 L742 Y777 W781 P1237 Q1238 L1245 G1246 A1247 R1248 I1272 I1306 | V738-L1240 HydrophobicContact CB-CD2 4.3Å; V738-L1240 HydrophobicContact CG1-CD1 4.29Å; V738-L1240 HydrophobicContact CG1-CD2 3.53Å; V738-L1240 HydrophobicContact CG2-CD2 4.34Å; L742-L1240 HydrophobicContact CD1-CD1 4.32Å; L742-L1240 HydrophobicContact CD1-CD2 4.48Å; Y777-L1240 HydrophobicContact CE1-CD2 3.71Å; Y777-L1240 WeakPolarHBondContact OH-CD2 3.33Å; Y777-L1240 VanDerWaalsContact OH-CG 3.24Å; Y777-L1240 WeakPolarHBondContact OH-CG 3.5Å; Y777-L1240 PolarHBondContact OH-N 2.98Å; W781-L1240 HydrophobicContact CD2-CD2 4.2Å; W781-L1240 HydrophobicContact CH2-CD1 3.89Å; W781-L1240 HydrophobicContact CH2-CD2 4.43Å; W781-L1240 HydrophobicContact CH2-CG 4.04Å; W781-L1240 HydrophobicContact CZ2-CD1 3.68Å; W781-L1240 HydrophobicContact CZ2-CD2 3.79Å; W781-L1240 HydrophobicContact CZ2-CG 3.87Å; W781-L1240 HydrophobicContact CZ3-CD1 4.15Å; P1237-L1240 HydrophobicContact CB-CD1 4.47Å; P1237-L1240 VanDerWaalsContact O-CB 3.23Å; P1237-L1240 WeakPolarHBondContact O-CB 3.3Å; P1237-L1240 WeakPolarHBondContact O-CG 3.37Å; P1237-L1240 PolarHBondContact O-N 3.26Å; P1237-L1240 VanDerWaalsContact O-N 3.11Å; Q1238-L1240 PolarHBondContact O-N 2.88Å; Q1238-L1240 VanDerWaalsContact O-N 3.08Å; L1240-L1245 HydrophobicContact CD2-CD1 4.48Å; L1240-L1245 HydrophobicContact CD2-CD2 4Å; L1240-G1246 WeakPolarHBondContact O-CA 3.47Å; L1240-A1247 HydrophobicContact CB-CB 3.71Å; L1240-A1247 HydrophobicContact CD2-CB 4.12Å; L1240-A1247 HydrophobicContact CG-CB 4.27Å; L1240-A1247 VanDerWaalsContact O-CB 3.26Å; L1240-A1247 WeakPolarHBondContact O-CB 3.23Å; L1240-A1247 PolarHBondContact O-N 3.5Å; L1240-R1248 PolarHBondContact O-N 2.92Å; L1240-R1248 VanDerWaalsContact O-N 3.17Å; L1240-I1272 HydrophobicContact CB-CD1 3.48Å; L1240-I1272 VanDerWaalsContact CB-CD1 3.48Å; L1240-I1272 HydrophobicContact CB-CG1 4.05Å; L1240-I1272 HydrophobicContact CD1-CD1 4.09Å; L1240-I1272 HydrophobicContact CG-CD1 4.25Å; L1240-I1272 WeakPolarHBondContact O-CG1 3.43Å; L1240-I1272 PolarHBondContact O-N 2.97Å; L1240-I1306 HydrophobicContact CB-CG2 4.16Å; L1240-I1306 HydrophobicContact CD1-CD1 4.35Å; L1240-I1306 HydrophobicContact CD1-CG2 3.47Å; L1240-I1306 VanDerWaalsContact CD1-CG2 3.48Å; L1240-I1306 HydrophobicContact CG-CG2 4.46Å |
| 1241 | L | 52.6 | Low | 50.4 | Low | 63.4 Ų | 63.4 | 47.3 Ų | 47.3 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -94.2 | -6.8 | 178.5 | -61.3 | -177.5 | 0 | 0 | 0 | 113.6 | Q1238 G1239 R1248 I1272 N1273 I1306 T1307 A1310 R1311 H1314 | Q1238-L1241 WeakPolarHBondContact O-CB 3.49Å; Q1238-L1241 PolarHBondContact O-N 3.09Å; Q1238-L1241 VanDerWaalsContact O-N 3.12Å; G1239-L1241 VanDerWaalsContact C-N 3.26Å; G1239-L1241 PolarHBondContact O-N 3.06Å; L1241-R1248 WeakPolarHBondContact O-CD 2.96Å; L1241-R1248 PolarHBondContact O-NH1 3.34Å; L1241-I1272 HydrophobicContact CD2-CD1 3.72Å; L1241-I1272 HydrophobicContact CD2-CG2 3.72Å; L1241-N1273 PolarHBondContact O-ND2 3.43Å; L1241-N1273 VanDerWaalsContact O-ND2 3.07Å; L1241-I1306 HydrophobicContact CD2-CG2 4.36Å; L1241-T1307 HydrophobicContact CD1-CG2 4.28Å; L1241-T1307 HydrophobicContact CD2-CG2 4.15Å; L1241-A1310 HydrophobicContact CD1-CB 3.55Å; L1241-A1310 VanDerWaalsContact CD1-CB 3.43Å; L1241-A1310 HydrophobicContact CD2-CB 4.33Å; L1241-A1310 HydrophobicContact CG-CB 3.78Å; L1241-R1311 HydrophobicContact CD1-CG 4.2Å; L1241-R1311 HydrophobicContact CD2-CG 4.26Å; L1241-H1314 HydrophobicContact CD1-CB 4.14Å |
| 1242 | S | 52.5 | Low | 50.4 | Low | 25.6 Ų | 25.6 | 50 Ų | 50 | 18% | 0.179 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -70 | 144.2 | 178.6 | 60.1 | 0 | 0 | 0 | 0 | 111.1 | R1235 G1239 D1244 L1245 G1246 N1249 S1271 | R1235-S1242 PolarHBondContact NH1-OG 3.36Å; G1239-S1242 WeakPolarHBondContact O-CB 3.4Å; G1239-S1242 PolarHBondContact O-N 3.3Å; G1239-S1242 VanDerWaalsContact O-N 3.12Å; G1239-S1242 PolarHBondContact O-OG 3.17Å; G1239-S1242 VanDerWaalsContact O-OG 3.06Å; S1242-D1244 VanDerWaalsContact C-N 3.31Å; S1242-D1244 PolarHBondContact O-N 3.05Å; S1242-D1244 PolarHBondContact OG-O 3.42Å; S1242-L1245 CarbonylContact C-O 3.54Å; S1242-L1245 WeakPolarHBondContact CB-O 3.38Å; S1242-L1245 PolarHBondContact O-N 2.83Å; S1242-L1245 VanDerWaalsContact O-O 3.13Å; S1242-L1245 WeakPolarHBondContact OG-CB 3.43Å; S1242-L1245 PolarHBondContact OG-N 3.48Å; S1242-L1245 PolarHBondContact OG-O 3.12Å; S1242-G1246 PolarHBondContact O-N 3.39Å; S1242-G1246 PolarHBondContact OG-N 3.18Å; S1242-N1249 PolarHBondContact O-OD1 3.02Å; S1242-S1271 WeakPolarHBondContact O-CB 2.89Å |
| 1243 | I | 50.9 | Low | 50.1 | Low | 116.8 Ų | 116.8 | 50.9 Ų | 50.9 | 60% | 0.599 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -27.4 | -176.8 | -62.8 | 166.5 | 0 | 0 | 0 | 111.2 | N1249 I1272 | I1243-N1249 WeakPolarHBondContact O-CB 3.41Å; I1243-N1249 VanDerWaalsContact O-CG 3.25Å; I1243-N1249 PolarHBondContact O-ND2 3.03Å; I1243-N1249 PolarHBondContact O-OD1 3.03Å; I1243-I1272 HydrophobicContact CD1-CB 4.02Å; I1243-I1272 HydrophobicContact CD1-CD1 3.42Å; I1243-I1272 VanDerWaalsContact CD1-CD1 3.42Å; I1243-I1272 HydrophobicContact CD1-CG1 3.65Å |
| 1244 | D | 49 | Very low | 49.8 | Very low | 83 Ų | 83 | 52.6 Ų | 52.6 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -0.7 | -173.4 | -74.4 | -28.6 | 0 | 0 | 0 | 113.3 | S731 R1235 S1242 G1246 A1247 R1248 N1249 | S731-D1244 WeakPolarHBondContact CB-O 3.33Å; S731-D1244 PolarHBondContact OG-O 2.85Å; R1235-D1244 PolarHBondContact NH1-O 3.34Å; S1242-D1244 VanDerWaalsContact C-N 3.31Å; S1242-D1244 PolarHBondContact O-N 3.05Å; S1242-D1244 PolarHBondContact OG-O 3.42Å; D1244-G1246 PolarHBondContact O-N 3.19Å; D1244-G1246 VanDerWaalsContact O-N 3.11Å; D1244-G1246 WeakPolarHBondContact OD1-CA 3.4Å; D1244-G1246 PolarHBondContact OD1-N 3.28Å; D1244-A1247 PolarHBondContact OD1-N 2.86Å; D1244-R1248 PolarHBondContact OD1-N 2.88Å; D1244-R1248 WeakPolarHBondContact OD2-CB 3.47Å; D1244-N1249 PolarHBondContact O-ND2 3.26Å |
| 1245 | L | 47.2 | Very low | 49.4 | Very low | 46.2 Ų | 46.2 | 58.5 Ų | 58.5 | 24% | 0.242 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -110.3 | 76 | 179.3 | -66.3 | 174.1 | 0 | 0 | 0 | 112.3 | L774 Y777 P1228 Q1232 G1239 L1240 S1242 A1247 N1249 I1269 | L774-L1245 HydrophobicContact CD2-CD1 3.95Å; L774-L1245 HydrophobicContact CD2-CD2 3.98Å; Y777-L1245 HydrophobicContact CD1-CD2 4.05Å; Y777-L1245 HydrophobicContact CD2-CD1 4.48Å; Y777-L1245 HydrophobicContact CE1-CD1 4.32Å; Y777-L1245 HydrophobicContact CE1-CD2 4.19Å; Y777-L1245 HydrophobicContact CE2-CD1 4.06Å; Y777-L1245 HydrophobicContact CG-CD2 4.31Å; P1228-L1245 HydrophobicContact CB-CD1 3.75Å; Q1232-L1245 HydrophobicContact CB-CD1 4.48Å; Q1232-L1245 HydrophobicContact CG-CD1 3.98Å; G1239-L1245 WeakPolarHBondContact O-CB 3.47Å; G1239-L1245 VanDerWaalsContact O-CD1 3.27Å; G1239-L1245 WeakPolarHBondContact O-CD1 3.32Å; G1239-L1245 VanDerWaalsContact O-CD2 3.26Å; G1239-L1245 WeakPolarHBondContact O-CD2 3.11Å; L1240-L1245 HydrophobicContact CD2-CD1 4.48Å; L1240-L1245 HydrophobicContact CD2-CD2 4Å; S1242-L1245 CarbonylContact C-O 3.54Å; S1242-L1245 WeakPolarHBondContact CB-O 3.38Å; S1242-L1245 PolarHBondContact O-N 2.83Å; S1242-L1245 VanDerWaalsContact O-O 3.13Å; S1242-L1245 WeakPolarHBondContact OG-CB 3.43Å; S1242-L1245 PolarHBondContact OG-N 3.48Å; S1242-L1245 PolarHBondContact OG-O 3.12Å; L1245-A1247 PolarHBondContact O-N 3Å; L1245-N1249 PolarHBondContact N-ND2 2.82Å; L1245-I1269 HydrophobicContact CD1-CG2 4.32Å |
| 1246 | G | 47.8 | Very low | 48.7 | Very low | 9.4 Ų | 9.4 | 60.7 Ų | 60.7 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 102.2 | -16 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S731 G735 G1239 L1240 S1242 D1244 R1248 N1249 C1250 | S731-G1246 WeakPolarHBondContact O-CA 3.49Å; G735-G1246 WeakPolarHBondContact CA-O 3.25Å; G1239-G1246 WeakPolarHBondContact O-CA 3.33Å; L1240-G1246 WeakPolarHBondContact O-CA 3.47Å; S1242-G1246 PolarHBondContact O-N 3.39Å; S1242-G1246 PolarHBondContact OG-N 3.18Å; D1244-G1246 PolarHBondContact O-N 3.19Å; D1244-G1246 VanDerWaalsContact O-N 3.11Å; D1244-G1246 WeakPolarHBondContact OD1-CA 3.4Å; D1244-G1246 PolarHBondContact OD1-N 3.28Å; G1246-R1248 VanDerWaalsContact C-N 3.32Å; G1246-R1248 PolarHBondContact O-N 3.06Å; G1246-N1249 CarbonylContact O-C 3.59Å; G1246-N1249 WeakPolarHBondContact O-CA 3.17Å; G1246-N1249 WeakPolarHBondContact O-CB 3.44Å; G1246-N1249 PolarHBondContact O-N 3.26Å; G1246-N1249 VanDerWaalsContact O-N 3.11Å; G1246-C1250 VanDerWaalsContact O-CB 3.29Å; G1246-C1250 WeakPolarHBondContact O-CB 3.22Å; G1246-C1250 PolarHBondContact O-N 3.08Å; G1246-C1250 VanDerWaalsContact O-N 3.12Å; G1246-C1250 PolarHBondContact O-SG 3.04Å |
| 1247 | A | 47.1 | Very low | 47.8 | Very low | 20.2 Ų | 20.2 | 66.4 Ų | 66.4 | 17% | 0.167 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -26.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L636 V738 A739 L1240 D1244 L1245 N1249 C1250 L1251 I1269 | L636-A1247 HydrophobicContact CD1-CB 4.15Å; L636-A1247 HydrophobicContact CD2-CB 3.9Å; L636-A1247 HydrophobicContact CG-CB 4.41Å; V738-A1247 HydrophobicContact CG1-CB 4.43Å; A739-A1247 HydrophobicContact CB-CB 4.25Å; L1240-A1247 HydrophobicContact CB-CB 3.71Å; L1240-A1247 HydrophobicContact CD2-CB 4.12Å; L1240-A1247 HydrophobicContact CG-CB 4.27Å; L1240-A1247 VanDerWaalsContact O-CB 3.26Å; L1240-A1247 WeakPolarHBondContact O-CB 3.23Å; L1240-A1247 PolarHBondContact O-N 3.5Å; D1244-A1247 PolarHBondContact OD1-N 2.86Å; L1245-A1247 PolarHBondContact O-N 3Å; A1247-N1249 VanDerWaalsContact C-N 3.32Å; A1247-N1249 PolarHBondContact O-N 3.25Å; A1247-C1250 PolarHBondContact O-N 3.08Å; A1247-C1250 PolarHBondContact O-SG 3.17Å; A1247-L1251 HydrophobicContact CB-CD1 4.47Å; A1247-L1251 VanDerWaalsContact O-CB 3.29Å; A1247-L1251 WeakPolarHBondContact O-CB 3.39Å; A1247-L1251 WeakPolarHBondContact O-CD1 3.26Å; A1247-L1251 VanDerWaalsContact O-CG 3.29Å; A1247-L1251 WeakPolarHBondContact O-CG 3.33Å; A1247-L1251 PolarHBondContact O-N 3.14Å; A1247-I1269 HydrophobicContact CB-CD1 3.67Å; A1247-I1269 HydrophobicContact CB-CG1 4.31Å |
| 1248 | R | 46.6 | Very low | 46.9 | Very low | 95 Ų | 95 | 71.9 Ų | 71.9 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 173.3 | -162.6 | 175.5 | 177.4 | -179.8 | -3.8 | 112.6 | L1240 L1241 D1244 G1246 C1250 L1251 H1252 I1269 I1272 | L1240-R1248 PolarHBondContact O-N 2.92Å; L1240-R1248 VanDerWaalsContact O-N 3.17Å; L1241-R1248 WeakPolarHBondContact O-CD 2.96Å; L1241-R1248 PolarHBondContact O-NH1 3.34Å; D1244-R1248 PolarHBondContact OD1-N 2.88Å; D1244-R1248 WeakPolarHBondContact OD2-CB 3.47Å; G1246-R1248 VanDerWaalsContact C-N 3.32Å; G1246-R1248 PolarHBondContact O-N 3.06Å; R1248-C1250 VanDerWaalsContact C-N 3.33Å; R1248-C1250 PolarHBondContact O-N 3.16Å; R1248-L1251 WeakPolarHBondContact O-CB 3.42Å; R1248-L1251 PolarHBondContact O-N 3.26Å; R1248-L1251 VanDerWaalsContact O-N 3.16Å; R1248-H1252 PolarHBondContact NE-NE2 3.49Å; R1248-H1252 WeakPolarHBondContact O-CB 3.28Å; R1248-H1252 PolarHBondContact O-CD2 3.23Å; R1248-H1252 VanDerWaalsContact O-CD2 3.28Å; R1248-H1252 PolarHBondContact O-N 3.23Å; R1248-I1269 HydrophobicContact CG-CD1 4.36Å; R1248-I1272 HydrophobicContact CB-CD1 4.41Å |
| 1249 | N | 48.5 | Very low | 45.9 | Very low | 54.6 Ų | 54.6 | 72.8 Ų | 72.8 | 29% | 0.292 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -77.1 | -28.7 | -176.3 | -81.4 | -6.4 | 0 | 0 | 0 | 113.4 | S731 R732 P1228 S1242 I1243 D1244 L1245 G1246 A1247 L1251 H1252 Q1257 | S731-N1249 PolarHBondContact OG-ND2 3.42Å; R732-N1249 HydrophobicContact CG-CB 4.23Å; P1228-N1249 HydrophobicContact CB-CB 4.03Å; P1228-N1249 HydrophobicContact CG-CB 3.74Å; P1228-N1249 VanDerWaalsContact CG-ND2 3.33Å; P1228-N1249 WeakPolarHBondContact CG-ND2 3.05Å; S1242-N1249 PolarHBondContact O-OD1 3.02Å; I1243-N1249 WeakPolarHBondContact O-CB 3.41Å; I1243-N1249 VanDerWaalsContact O-CG 3.25Å; I1243-N1249 PolarHBondContact O-ND2 3.03Å; I1243-N1249 PolarHBondContact O-OD1 3.03Å; D1244-N1249 PolarHBondContact O-ND2 3.26Å; L1245-N1249 PolarHBondContact N-ND2 2.82Å; G1246-N1249 CarbonylContact O-C 3.59Å; G1246-N1249 WeakPolarHBondContact O-CA 3.17Å; G1246-N1249 WeakPolarHBondContact O-CB 3.44Å; G1246-N1249 PolarHBondContact O-N 3.26Å; G1246-N1249 VanDerWaalsContact O-N 3.11Å; A1247-N1249 VanDerWaalsContact C-N 3.32Å; A1247-N1249 PolarHBondContact O-N 3.25Å; N1249-L1251 VanDerWaalsContact C-N 3.33Å; N1249-L1251 PolarHBondContact O-N 3.26Å; N1249-H1252 PolarHBondContact O-N 2.99Å; N1249-Q1257 PolarHBondContact OD1-NE2 2.91Å |
| 1250 | C | 49.9 | Very low | 44.9 | Very low | 41.8 Ų | 41.8 | 81.1 Ų | 81.1 | 28% | 0.282 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -75.4 | -23.8 | 172.9 | -24.9 | 0 | 0 | 0 | 0 | 112.7 | V628 S629 S632 R732 L736 G1246 A1247 R1248 | V628-C1250 HydrophobicContact CG1-CB 3.68Å; S629-C1250 WeakPolarHBondContact CA-O 3.25Å; S629-C1250 PolarHBondContact OG-O 2.97Å; S632-C1250 WeakPolarHBondContact CB-SG 3.46Å; S632-C1250 PolarHBondContact OG-O 3.14Å; R732-C1250 WeakPolarHBondContact O-CB 3.2Å; R732-C1250 PolarHBondContact O-SG 3.35Å; R732-C1250 VanDerWaalsContact O-SG 3.41Å; L736-C1250 HydrophobicContact CB-CB 4.22Å; L736-C1250 PolarHBondContact N-SG 3.21Å; G1246-C1250 VanDerWaalsContact O-CB 3.29Å; G1246-C1250 WeakPolarHBondContact O-CB 3.22Å; G1246-C1250 PolarHBondContact O-N 3.08Å; G1246-C1250 VanDerWaalsContact O-N 3.12Å; G1246-C1250 PolarHBondContact O-SG 3.04Å; A1247-C1250 PolarHBondContact O-N 3.08Å; A1247-C1250 PolarHBondContact O-SG 3.17Å; R1248-C1250 VanDerWaalsContact C-N 3.33Å; R1248-C1250 PolarHBondContact O-N 3.16Å |
| 1251 | L | 46 | Very low | 44 | Very low | 59.2 Ų | 59.2 | 87.3 Ų | 87.3 | 31% | 0.31 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -86.9 | -22.2 | -179.5 | -67.3 | 171 | 0 | 0 | 0 | 113.4 | S629 R633 L636 A1247 R1248 N1249 L1253 I1272 T1304 T1307 | S629-L1251 PolarHBondContact OG-O 3.12Å; S629-L1251 VanDerWaalsContact OG-O 3.09Å; R633-L1251 HydrophobicContact CG-CD2 3.6Å; R633-L1251 PolarHBondContact NH2-O 2.91Å; L636-L1251 HydrophobicContact CD1-CD1 4.04Å; L636-L1251 HydrophobicContact CD1-CD2 3.96Å; L636-L1251 HydrophobicContact CD1-CG 4.36Å; A1247-L1251 HydrophobicContact CB-CD1 4.47Å; A1247-L1251 VanDerWaalsContact O-CB 3.29Å; A1247-L1251 WeakPolarHBondContact O-CB 3.39Å; A1247-L1251 WeakPolarHBondContact O-CD1 3.26Å; A1247-L1251 VanDerWaalsContact O-CG 3.29Å; A1247-L1251 WeakPolarHBondContact O-CG 3.33Å; A1247-L1251 PolarHBondContact O-N 3.14Å; R1248-L1251 WeakPolarHBondContact O-CB 3.42Å; R1248-L1251 PolarHBondContact O-N 3.26Å; R1248-L1251 VanDerWaalsContact O-N 3.16Å; N1249-L1251 VanDerWaalsContact C-N 3.33Å; N1249-L1251 PolarHBondContact O-N 3.26Å; L1251-L1253 PolarHBondContact O-N 3.08Å; L1251-I1272 HydrophobicContact CD1-CB 4.3Å; L1251-I1272 HydrophobicContact CD1-CD1 3.36Å; L1251-I1272 HydrophobicContact CD1-CG1 3.38Å; L1251-T1304 HydrophobicContact CD2-CG2 4.12Å; L1251-T1307 HydrophobicContact CD1-CG2 4.47Å |
| 1252 | H | 45.6 | Very low | 43.1 | Very low | 73.8 Ų | 73.8 | 89.8 Ų | 89.8 | 34% | 0.342 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -96.9 | 121.8 | 177.4 | -67.1 | -67.1 | 0 | 0 | 0 | 111.2 | R732 R1248 N1249 P1254 C1268 S1271 | R732-H1252 PolarHBondContact NE-O 2.99Å; R732-H1252 VanDerWaalsContact NE-O 3.11Å; R732-H1252 PolarHBondContact NH2-O 3.04Å; R1248-H1252 PolarHBondContact NE-NE2 3.49Å; R1248-H1252 WeakPolarHBondContact O-CB 3.28Å; R1248-H1252 PolarHBondContact O-CD2 3.23Å; R1248-H1252 VanDerWaalsContact O-CD2 3.28Å; R1248-H1252 PolarHBondContact O-N 3.23Å; N1249-H1252 PolarHBondContact O-N 2.99Å; H1252-P1254 WeakPolarHBondContact O-CD 3.24Å; H1252-P1254 VanDerWaalsContact O-N 3.1Å; H1252-C1268 PolarHBondContact CE1-O 3.32Å; H1252-C1268 PolarHBondContact ND1-O 2.84Å; H1252-S1271 WeakPolarHBondContact CE1-CB 3.04Å |
| 1253 | L | 42.9 | Very low | 42.2 | Very low | 74.8 Ų | 74.8 | 94 Ų | 94 | 39% | 0.392 | 48% | 0.48 | S | S | . | . | trans | -62.3 | 139.4 | 164.4 | -80.8 | 145.8 | 0 | 0 | 0 | 109 | Y447 N625 Y626 L1251 E1255 Q1256 I1269 | Y447-L1253 HydrophobicContact CE2-CD1 3.67Å; Y447-L1253 WeakPolarHBondContact OH-CD1 3.4Å; N625-L1253 HydrophobicContact CB-CD2 4.1Å; Y626-L1253 HydrophobicContact CD1-CD1 3.91Å; Y626-L1253 HydrophobicContact CD1-CD2 3.83Å; Y626-L1253 VanDerWaalsContact CD1-CD2 3.44Å; Y626-L1253 HydrophobicContact CD1-CG 4.34Å; Y626-L1253 HydrophobicContact CE1-CD1 3.76Å; Y626-L1253 HydrophobicContact CE1-CD2 3.83Å; Y626-L1253 HydrophobicContact CE1-CG 4.4Å; Y626-L1253 HydrophobicContact CG-CD2 4.45Å; L1251-L1253 PolarHBondContact O-N 3.08Å; L1253-E1255 PolarHBondContact O-N 3.02Å; L1253-E1255 VanDerWaalsContact O-N 3.13Å; L1253-Q1256 PolarHBondContact O-N 3.24Å; L1253-I1269 HydrophobicContact CD1-CD1 3.98Å | ||
| 1254 | P | 43.1 | Very low | 41.3 | Very low | 72 Ų | 72 | 92.9 Ų | 92.9 | 47% | 0.468 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 127.3 | 177.8 | 1.6 | 2.5 | 0 | 0 | 0 | 110.3 | N625 H1252 Q1256 Q1257 | N625-P1254 HydrophobicContact CB-CG 4.17Å; N625-P1254 WeakPolarHBondContact ND2-CG 3.39Å; H1252-P1254 WeakPolarHBondContact O-CD 3.24Å; H1252-P1254 VanDerWaalsContact O-N 3.1Å; P1254-Q1256 VanDerWaalsContact C-N 3.26Å; P1254-Q1256 PolarHBondContact O-N 3.11Å; P1254-Q1257 WeakPolarHBondContact O-CB 3.27Å; P1254-Q1257 PolarHBondContact O-N 3.32Å |
| 1255 | E | 41.7 | Very low | 40.5 | Very low | 159.4 Ų | 159.4 | 97.4 Ų | 97.4 | 75% | 0.745 | 50% | 0.501 | S | S | * | . | trans | -48.9 | 43.5 | 176.2 | -66.9 | 173.9 | 179.1 | 0 | 0 | 111.3 | F1179 L1253 Q1257 I1258 | F1179-E1255 WeakPolarHBondContact CE2-OE1 3.4Å; F1179-E1255 WeakPolarHBondContact CE2-OE2 3.43Å; F1179-E1255 WeakPolarHBondContact CZ-OE1 3.42Å; L1253-E1255 PolarHBondContact O-N 3.02Å; L1253-E1255 VanDerWaalsContact O-N 3.13Å; E1255-Q1257 VanDerWaalsContact C-N 3.33Å; E1255-Q1257 PolarHBondContact O-N 3.14Å; E1255-I1258 PolarHBondContact O-N 2.87Å | ||
| 1256 | Q | 37.7 | Very low | 39.8 | Very low | 112 Ų | 112 | 103.2 Ų | 103.2 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | trans | -79.6 | 58.8 | 164.3 | -68.5 | -172.7 | -16.3 | 0 | 0 | 109.6 | L1253 P1254 I1258 R1260 | L1253-Q1256 PolarHBondContact O-N 3.24Å; P1254-Q1256 VanDerWaalsContact C-N 3.26Å; P1254-Q1256 PolarHBondContact O-N 3.11Å; Q1256-I1258 WeakPolarHBondContact O-CG1 3.3Å; Q1256-I1258 PolarHBondContact O-N 3.08Å; Q1256-R1260 WeakPolarHBondContact O-CD 3.45Å; Q1256-R1260 WeakPolarHBondContact O-CG 3.4Å; Q1256-R1260 PolarHBondContact O-NE 2.95Å | ||
| 1257 | Q | 36.3 | Very low | 39 | Very low | 143.8 Ų | 143.8 | 108.6 Ų | 108.6 | 67% | 0.672 | 55% | 0.55 | S | S | * | * | trans | -71.9 | 16.3 | 173.8 | -70.6 | -178.1 | -19.5 | 0 | 0 | 111.9 | C728 N1249 P1254 E1255 S1259 R1260 | C728-Q1257 PolarHBondContact SG-NE2 3.16Å; C728-Q1257 VanDerWaalsContact SG-NE2 3.41Å; C728-Q1257 PolarHBondContact SG-OE1 3.31Å; N1249-Q1257 PolarHBondContact OD1-NE2 2.91Å; P1254-Q1257 WeakPolarHBondContact O-CB 3.27Å; P1254-Q1257 PolarHBondContact O-N 3.32Å; E1255-Q1257 VanDerWaalsContact C-N 3.33Å; E1255-Q1257 PolarHBondContact O-N 3.14Å; Q1257-S1259 VanDerWaalsContact C-N 3.25Å; Q1257-S1259 PolarHBondContact O-N 3.4Å; Q1257-R1260 PolarHBondContact O-N 3.07Å | ||
| 1258 | I | 34.9 | Very low | 38.3 | Very low | 148.6 Ų | 148.6 | 111.6 Ų | 111.6 | 76% | 0.762 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -90.3 | 41.2 | -178.2 | -54.1 | 169.7 | 0 | 0 | 0 | 109.4 | E1255 Q1256 R1260 | E1255-I1258 PolarHBondContact O-N 2.87Å; Q1256-I1258 WeakPolarHBondContact O-CG1 3.3Å; Q1256-I1258 PolarHBondContact O-N 3.08Å; I1258-R1260 PolarHBondContact O-N 3.25Å |
| 1259 | S | 34.5 | Very low | 37.6 | Very low | 85.8 Ų | 85.8 | 111.3 Ų | 111.3 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | trans | -74.3 | 68.4 | 162.9 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | Q1257 Q1261 | Q1257-S1259 VanDerWaalsContact C-N 3.25Å; Q1257-S1259 PolarHBondContact O-N 3.4Å; S1259-Q1261 PolarHBondContact O-N 2.94Å; S1259-Q1261 VanDerWaalsContact O-N 3.12Å | ||
| 1260 | R | 33.8 | Very low | 36.9 | Very low | 177.4 Ų | 177.4 | 111.4 Ų | 111.4 | 67% | 0.669 | 58% | 0.577 | S | S | * | * | trans | -71.2 | 76.6 | 167.9 | -65 | -178.2 | -179.6 | 176.6 | 1.4 | 113.8 | Q1256 Q1257 I1258 T1262 C1268 | Q1256-R1260 WeakPolarHBondContact O-CD 3.45Å; Q1256-R1260 WeakPolarHBondContact O-CG 3.4Å; Q1256-R1260 PolarHBondContact O-NE 2.95Å; Q1257-R1260 PolarHBondContact O-N 3.07Å; I1258-R1260 PolarHBondContact O-N 3.25Å; R1260-T1262 VanDerWaalsContact C-N 3.27Å; R1260-T1262 PolarHBondContact O-N 2.95Å; R1260-C1268 PolarHBondContact NH2-O 3.18Å; R1260-C1268 PolarHBondContact NH2-SG 3.35Å | ||
| 1261 | Q | 34.7 | Very low | 36.3 | Very low | 170 Ų | 170 | 111.4 Ų | 111.4 | 79% | 0.794 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -60.4 | 26.9 | 154 | -79.4 | -177.9 | -17 | 0 | 0 | 113.6 | S1259 S1264 | S1259-Q1261 PolarHBondContact O-N 2.94Å; S1259-Q1261 VanDerWaalsContact O-N 3.12Å; Q1261-S1264 PolarHBondContact O-OG 2.93Å |
| 1262 | T | 34.9 | Very low | 35.8 | Very low | 117 Ų | 117 | 110.9 Ų | 110.9 | 72% | 0.718 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -102.4 | 12.6 | 166.8 | 56.1 | 0 | 0 | 0 | 0 | 115.2 | R1260 S1264 | R1260-T1262 VanDerWaalsContact C-N 3.27Å; R1260-T1262 PolarHBondContact O-N 2.95Å; T1262-S1264 PolarHBondContact O-N 3.42Å |
| 1263 | D | 32.6 | Very low | 35.4 | Very low | 113.4 Ų | 113.4 | 111.6 Ų | 111.6 | 61% | 0.606 | 58% | 0.582 | S | S | * | * | trans | -123.8 | 30.8 | 175 | -63.6 | -9.8 | 0 | 0 | 0 | 116.7 | E1265 K1266 | D1263-E1265 VanDerWaalsContact C-N 3.33Å; D1263-E1265 PolarHBondContact O-N 3.28Å; D1263-K1266 HydrophobicContact CB-CD 3.99Å; D1263-K1266 HydrophobicContact CB-CG 4.34Å; D1263-K1266 PolarHBondContact O-N 3.37Å; D1263-K1266 WeakPolarHBondContact OD2-CD 3.28Å; D1263-K1266 VanDerWaalsContact OD2-CE 3.23Å; D1263-K1266 WeakPolarHBondContact OD2-CE 3.34Å; D1263-K1266 IonicContact OD2-NZ 2.69Å; D1263-K1266 PolarHBondContact OD2-NZ 2.66Å | ||
| 1264 | S | 32.2 | Very low | 35.2 | Very low | 93.4 Ų | 93.4 | 110.6 Ų | 110.6 | 65% | 0.653 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 23.9 | 175.8 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | Q1261 T1262 K1266 Y1300 | Q1261-S1264 PolarHBondContact O-OG 2.93Å; T1262-S1264 PolarHBondContact O-N 3.42Å; S1264-K1266 VanDerWaalsContact C-N 3.35Å; S1264-Y1300 PolarHBondContact OG-OH 3.48Å |
| 1265 | E | 32.3 | Very low | 34.8 | Very low | 178.2 Ų | 178.2 | 110.2 Ų | 110.2 | 83% | 0.833 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -3.2 | 172.9 | -81.6 | -176.5 | 175.3 | 0 | 0 | 114.4 | D1263 L1267 | D1263-E1265 VanDerWaalsContact C-N 3.33Å; D1263-E1265 PolarHBondContact O-N 3.28Å; E1265-L1267 VanDerWaalsContact C-N 3.33Å; E1265-L1267 PolarHBondContact O-N 3.17Å |
| 1266 | K | 31.8 | Very low | 34.5 | Very low | 166.8 Ų | 166.8 | 107.1 Ų | 107.1 | 73% | 0.725 | 56% | 0.562 | S | S | * | * | trans | -88.6 | 54.3 | -179.9 | -72.2 | -175.9 | 179 | 174 | 0 | 113.7 | D1263 S1264 C1268 | D1263-K1266 HydrophobicContact CB-CD 3.99Å; D1263-K1266 HydrophobicContact CB-CG 4.34Å; D1263-K1266 PolarHBondContact O-N 3.37Å; D1263-K1266 WeakPolarHBondContact OD2-CD 3.28Å; D1263-K1266 VanDerWaalsContact OD2-CE 3.23Å; D1263-K1266 WeakPolarHBondContact OD2-CE 3.34Å; D1263-K1266 IonicContact OD2-NZ 2.69Å; D1263-K1266 PolarHBondContact OD2-NZ 2.66Å; S1264-K1266 VanDerWaalsContact C-N 3.35Å; K1266-C1268 PolarHBondContact O-N 3.22Å | ||
| 1267 | L | 31.2 | Very low | 34.1 | Very low | 123 Ų | 123 | 103.4 Ų | 103.4 | 64% | 0.644 | 55% | 0.554 | S | S | * | * | trans | -92.9 | 60.5 | 176.3 | -95 | 155 | 0 | 0 | 0 | 111 | E1265 I1269 | E1265-L1267 VanDerWaalsContact C-N 3.33Å; E1265-L1267 PolarHBondContact O-N 3.17Å; L1267-I1269 VanDerWaalsContact C-N 3.31Å; L1267-I1269 PolarHBondContact O-N 3.1Å; L1267-I1269 VanDerWaalsContact O-N 3.16Å | ||
| 1268 | C | 32.5 | Very low | 33.7 | Very low | 84.2 Ų | 84.2 | 102 Ų | 102 | 57% | 0.569 | 56% | 0.555 | S | S | * | * | trans | -70.3 | 72.2 | 175 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | H1252 R1260 K1266 P1270 | H1252-C1268 PolarHBondContact CE1-O 3.32Å; H1252-C1268 PolarHBondContact ND1-O 2.84Å; R1260-C1268 PolarHBondContact NH2-O 3.18Å; R1260-C1268 PolarHBondContact NH2-SG 3.35Å; K1266-C1268 PolarHBondContact O-N 3.22Å; C1268-P1270 VanDerWaalsContact O-CD 3.29Å; C1268-P1270 WeakPolarHBondContact O-CD 3.36Å; C1268-P1270 VanDerWaalsContact O-N 3.09Å | ||
| 1269 | I | 33.1 | Very low | 33.5 | Very low | 87.2 Ų | 87.2 | 102 Ų | 102 | 45% | 0.447 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -92.4 | 114.5 | 157.7 | -48.7 | 174.4 | 0 | 0 | 0 | 106.2 | L1245 A1247 R1248 L1253 L1267 S1271 I1344 | L1245-I1269 HydrophobicContact CD1-CG2 4.32Å; A1247-I1269 HydrophobicContact CB-CD1 3.67Å; A1247-I1269 HydrophobicContact CB-CG1 4.31Å; R1248-I1269 HydrophobicContact CG-CD1 4.36Å; L1253-I1269 HydrophobicContact CD1-CD1 3.98Å; L1267-I1269 VanDerWaalsContact C-N 3.31Å; L1267-I1269 PolarHBondContact O-N 3.1Å; L1267-I1269 VanDerWaalsContact O-N 3.16Å; I1269-S1271 PolarHBondContact O-N 3.23Å; I1269-I1344 HydrophobicContact CD1-CD1 4.48Å |
| 1270 | P | 32.9 | Very low | 33.2 | Very low | 57.4 Ų | 57.4 | 102.4 Ų | 102.4 | 37% | 0.373 | 55% | 0.548 | S | S | . | . | trans | -60 | 123.3 | 169.7 | 15.7 | -19.3 | 0 | 0 | 0 | 108.2 | Y488 C1268 S1274 L1275 | Y488-P1270 HydrophobicContact CD2-CB 4.39Å; Y488-P1270 HydrophobicContact CE2-CB 3.44Å; Y488-P1270 VanDerWaalsContact CE2-CB 3.44Å; Y488-P1270 HydrophobicContact CE2-CG 4.06Å; C1268-P1270 VanDerWaalsContact O-CD 3.29Å; C1268-P1270 WeakPolarHBondContact O-CD 3.36Å; C1268-P1270 VanDerWaalsContact O-N 3.09Å; P1270-S1274 VanDerWaalsContact C-OG 3.26Å; P1270-S1274 WeakPolarHBondContact CA-OG 3.22Å; P1270-S1274 WeakPolarHBondContact CB-OG 3.27Å; P1270-S1274 PolarHBondContact O-OG 3.29Å; P1270-L1275 HydrophobicContact CB-CD2 4.37Å; P1270-L1275 HydrophobicContact CG-CD2 4.44Å | ||
| 1271 | S | 37.3 | Very low | 32.9 | Very low | 42.6 Ų | 42.6 | 98.3 Ų | 98.3 | 30% | 0.298 | 55% | 0.547 | S | S | . | . | trans | -53.4 | 156 | 178.2 | 72 | 0 | 0 | 0 | 0 | 111.1 | S1242 H1252 I1269 N1273 S1274 L1275 | S1242-S1271 WeakPolarHBondContact O-CB 2.89Å; H1252-S1271 WeakPolarHBondContact CE1-CB 3.04Å; I1269-S1271 PolarHBondContact O-N 3.23Å; S1271-N1273 CarbonylContact O-C 3.54Å; S1271-N1273 WeakPolarHBondContact O-CA 3.35Å; S1271-N1273 PolarHBondContact O-N 3.02Å; S1271-N1273 VanDerWaalsContact O-N 3.08Å; S1271-N1273 WeakPolarHBondContact OG-CA 3.24Å; S1271-N1273 WeakPolarHBondContact OG-CB 3.32Å; S1271-N1273 PolarHBondContact OG-N 3.25Å; S1271-N1273 VanDerWaalsContact OG-N 3.16Å; S1271-N1273 PolarHBondContact OG-ND2 3.38Å; S1271-N1273 PolarHBondContact OG-O 3.35Å; S1271-S1274 PolarHBondContact N-OG 3.03Å; S1271-S1274 VanDerWaalsContact N-OG 3.14Å; S1271-S1274 WeakPolarHBondContact O-CA 3.27Å; S1271-S1274 VanDerWaalsContact O-CB 3.31Å; S1271-S1274 WeakPolarHBondContact O-CB 3.4Å; S1271-S1274 PolarHBondContact O-N 3.12Å; S1271-S1274 PolarHBondContact O-OG 3Å; S1271-S1274 PolarHBondContact OG-N 3.37Å; S1271-S1274 PolarHBondContact OG-OG 3.15Å; S1271-S1274 VanDerWaalsContact OG-OG 3.08Å; S1271-L1275 PolarHBondContact O-N 3.14Å | ||
| 1272 | I | 37 | Very low | 32.6 | Very low | 48.6 Ų | 48.6 | 96.6 Ų | 96.6 | 25% | 0.249 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -55.6 | -25.7 | 175.9 | -80.9 | 173.6 | 0 | 0 | 0 | 111.6 | L1240 L1241 I1243 R1248 L1251 S1274 L1275 I1276 T1304 I1306 T1307 A1310 | L1240-I1272 HydrophobicContact CB-CD1 3.48Å; L1240-I1272 VanDerWaalsContact CB-CD1 3.48Å; L1240-I1272 HydrophobicContact CB-CG1 4.05Å; L1240-I1272 HydrophobicContact CD1-CD1 4.09Å; L1240-I1272 HydrophobicContact CG-CD1 4.25Å; L1240-I1272 WeakPolarHBondContact O-CG1 3.43Å; L1240-I1272 PolarHBondContact O-N 2.97Å; L1241-I1272 HydrophobicContact CD2-CD1 3.72Å; L1241-I1272 HydrophobicContact CD2-CG2 3.72Å; I1243-I1272 HydrophobicContact CD1-CB 4.02Å; I1243-I1272 HydrophobicContact CD1-CD1 3.42Å; I1243-I1272 VanDerWaalsContact CD1-CD1 3.42Å; I1243-I1272 HydrophobicContact CD1-CG1 3.65Å; R1248-I1272 HydrophobicContact CB-CD1 4.41Å; L1251-I1272 HydrophobicContact CD1-CB 4.3Å; L1251-I1272 HydrophobicContact CD1-CD1 3.36Å; L1251-I1272 HydrophobicContact CD1-CG1 3.38Å; I1272-S1274 VanDerWaalsContact C-N 3.26Å; I1272-S1274 PolarHBondContact O-N 3.18Å; I1272-L1275 HydrophobicContact CB-CD1 4.49Å; I1272-L1275 HydrophobicContact CG1-CD1 4.05Å; I1272-L1275 HydrophobicContact CG2-CB 4.13Å; I1272-L1275 HydrophobicContact CG2-CD1 4.26Å; I1272-L1275 CarbonylContact O-C 3.57Å; I1272-L1275 WeakPolarHBondContact O-CA 3.41Å; I1272-L1275 WeakPolarHBondContact O-CB 3.29Å; I1272-L1275 PolarHBondContact O-N 2.95Å; I1272-L1275 VanDerWaalsContact O-N 3.15Å; I1272-I1276 HydrophobicContact CG2-CD1 4.36Å; I1272-I1276 WeakPolarHBondContact O-CG1 3.46Å; I1272-I1276 PolarHBondContact O-N 3.4Å; I1272-I1276 VanDerWaalsContact O-N 3.14Å; I1272-T1304 HydrophobicContact CG2-CG2 3.62Å; I1272-T1304 WeakPolarHBondContact CG2-OG1 3.39Å; I1272-T1304 VanDerWaalsContact O-CG2 3.31Å; I1272-T1304 WeakPolarHBondContact O-CG2 3.24Å; I1272-I1306 HydrophobicContact CD1-CG2 4.1Å; I1272-T1307 HydrophobicContact CB-CG2 3.52Å; I1272-T1307 VanDerWaalsContact CB-CG2 3.41Å; I1272-T1307 HydrophobicContact CD1-CG2 4.03Å; I1272-T1307 HydrophobicContact CG1-CG2 4.43Å; I1272-T1307 HydrophobicContact CG2-CG2 3.54Å; I1272-T1307 VanDerWaalsContact CG2-CG2 3.41Å; I1272-T1307 WeakPolarHBondContact CG2-OG1 3.44Å; I1272-A1310 HydrophobicContact CD1-CB 3.93Å; I1272-A1310 HydrophobicContact CG1-CB 3.95Å |
| 1273 | N | 37.1 | Very low | 32.3 | Very low | 88.6 Ų | 88.6 | 95.8 Ų | 95.8 | 47% | 0.474 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -68.9 | -5.9 | 170.5 | -57.8 | -26.1 | 0 | 0 | 0 | 114 | L1241 S1271 I1276 G1277 G1302 T1307 R1311 | L1241-N1273 PolarHBondContact O-ND2 3.43Å; L1241-N1273 VanDerWaalsContact O-ND2 3.07Å; S1271-N1273 CarbonylContact O-C 3.54Å; S1271-N1273 WeakPolarHBondContact O-CA 3.35Å; S1271-N1273 PolarHBondContact O-N 3.02Å; S1271-N1273 VanDerWaalsContact O-N 3.08Å; S1271-N1273 WeakPolarHBondContact OG-CA 3.24Å; S1271-N1273 WeakPolarHBondContact OG-CB 3.32Å; S1271-N1273 PolarHBondContact OG-N 3.25Å; S1271-N1273 VanDerWaalsContact OG-N 3.16Å; S1271-N1273 PolarHBondContact OG-ND2 3.38Å; S1271-N1273 PolarHBondContact OG-O 3.35Å; N1273-I1276 HydrophobicContact CB-CD1 4.22Å; N1273-I1276 WeakPolarHBondContact O-CB 2.94Å; N1273-I1276 WeakPolarHBondContact O-CD1 3.24Å; N1273-I1276 WeakPolarHBondContact O-CG1 3.14Å; N1273-I1276 WeakPolarHBondContact O-CG2 3.37Å; N1273-I1276 WeakPolarHBondContact OD1-CD1 3.42Å; N1273-G1277 WeakPolarHBondContact O-CA 3.36Å; N1273-G1277 PolarHBondContact O-N 3.41Å; N1273-G1302 WeakPolarHBondContact CA-O 3.28Å; N1273-G1302 VanDerWaalsContact CB-O 3.3Å; N1273-G1302 WeakPolarHBondContact CB-O 3.35Å; N1273-T1307 PolarHBondContact OD1-OG1 3.33Å; N1273-R1311 PolarHBondContact ND2-NH2 2.95Å; N1273-R1311 VanDerWaalsContact OD1-CZ 3.28Å; N1273-R1311 PolarHBondContact OD1-NH1 2.99Å |
| 1274 | S | 38.4 | Very low | 32 | Very low | 52.6 Ų | 52.6 | 95.2 Ų | 95.2 | 37% | 0.368 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -101.7 | -16.1 | 173.1 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | R456 P1270 S1271 I1272 I1276 | R456-S1274 PolarHBondContact NE-O 3.41Å; P1270-S1274 VanDerWaalsContact C-OG 3.26Å; P1270-S1274 WeakPolarHBondContact CA-OG 3.22Å; P1270-S1274 WeakPolarHBondContact CB-OG 3.27Å; P1270-S1274 PolarHBondContact O-OG 3.29Å; S1271-S1274 PolarHBondContact N-OG 3.03Å; S1271-S1274 VanDerWaalsContact N-OG 3.14Å; S1271-S1274 WeakPolarHBondContact O-CA 3.27Å; S1271-S1274 VanDerWaalsContact O-CB 3.31Å; S1271-S1274 WeakPolarHBondContact O-CB 3.4Å; S1271-S1274 PolarHBondContact O-N 3.12Å; S1271-S1274 PolarHBondContact O-OG 3Å; S1271-S1274 PolarHBondContact OG-N 3.37Å; S1271-S1274 PolarHBondContact OG-OG 3.15Å; S1271-S1274 VanDerWaalsContact OG-OG 3.08Å; I1272-S1274 VanDerWaalsContact C-N 3.26Å; I1272-S1274 PolarHBondContact O-N 3.18Å; S1274-I1276 VanDerWaalsContact C-N 3.26Å; S1274-I1276 PolarHBondContact O-N 3.13Å |
| 1275 | L | 34.8 | Very low | 32.1 | Very low | 64.2 Ų | 64.2 | 96.5 Ų | 96.5 | 34% | 0.336 | 55% | 0.55 | S | S | . | . | trans | -76.9 | 18.4 | 164.3 | -65.5 | 172.2 | 0 | 0 | 0 | 111.1 | Y454 F962 P1270 S1271 I1272 G1277 C1303 T1304 I1306 T1307 | Y454-L1275 VanDerWaalsContact OH-CD2 3.22Å; Y454-L1275 WeakPolarHBondContact OH-CD2 3.15Å; F962-L1275 WeakPolarHBondContact CD2-O 3.47Å; F962-L1275 HydrophobicContact CE1-CB 3.92Å; F962-L1275 HydrophobicContact CE2-CB 4.31Å; F962-L1275 WeakPolarHBondContact CE2-O 3.44Å; F962-L1275 HydrophobicContact CZ-CB 3.54Å; F962-L1275 HydrophobicContact CZ-CG 4.48Å; F962-L1275 WeakPolarHBondContact CZ-O 3.42Å; P1270-L1275 HydrophobicContact CB-CD2 4.37Å; P1270-L1275 HydrophobicContact CG-CD2 4.44Å; S1271-L1275 PolarHBondContact O-N 3.14Å; I1272-L1275 HydrophobicContact CB-CD1 4.49Å; I1272-L1275 HydrophobicContact CG1-CD1 4.05Å; I1272-L1275 HydrophobicContact CG2-CB 4.13Å; I1272-L1275 HydrophobicContact CG2-CD1 4.26Å; I1272-L1275 CarbonylContact O-C 3.57Å; I1272-L1275 WeakPolarHBondContact O-CA 3.41Å; I1272-L1275 WeakPolarHBondContact O-CB 3.29Å; I1272-L1275 PolarHBondContact O-N 2.95Å; I1272-L1275 VanDerWaalsContact O-N 3.15Å; L1275-G1277 VanDerWaalsContact C-N 3.3Å; L1275-G1277 PolarHBondContact O-N 3.04Å; L1275-G1277 VanDerWaalsContact O-N 3.13Å; L1275-C1303 VanDerWaalsContact O-CA 3.32Å; L1275-C1303 WeakPolarHBondContact O-CA 3.34Å; L1275-C1303 PolarHBondContact O-SG 3.28Å; L1275-T1304 HydrophobicContact CB-CG2 3.37Å; L1275-T1304 HydrophobicContact CD1-CG2 4.04Å; L1275-T1304 HydrophobicContact CG-CG2 4.26Å; L1275-T1304 WeakPolarHBondContact O-CG2 3.23Å; L1275-I1306 HydrophobicContact CD1-CG2 4.39Å; L1275-T1307 HydrophobicContact CB-CG2 4.18Å; L1275-T1307 WeakPolarHBondContact O-CG2 3.23Å | ||
| 1276 | I | 34 | Very low | 32.2 | Very low | 94.6 Ų | 94.6 | 92.5 Ų | 92.5 | 49% | 0.485 | 54% | 0.542 | S | S | . | . | trans | -87.8 | 50.9 | 176.1 | -57.3 | 172.4 | 0 | 0 | 0 | 109.3 | I1272 N1273 S1274 T1278 Y1279 G1302 T1307 R1311 | I1272-I1276 HydrophobicContact CG2-CD1 4.36Å; I1272-I1276 WeakPolarHBondContact O-CG1 3.46Å; I1272-I1276 PolarHBondContact O-N 3.4Å; I1272-I1276 VanDerWaalsContact O-N 3.14Å; N1273-I1276 HydrophobicContact CB-CD1 4.22Å; N1273-I1276 WeakPolarHBondContact O-CB 2.94Å; N1273-I1276 WeakPolarHBondContact O-CD1 3.24Å; N1273-I1276 WeakPolarHBondContact O-CG1 3.14Å; N1273-I1276 WeakPolarHBondContact O-CG2 3.37Å; N1273-I1276 WeakPolarHBondContact OD1-CD1 3.42Å; S1274-I1276 VanDerWaalsContact C-N 3.26Å; S1274-I1276 PolarHBondContact O-N 3.13Å; I1276-T1278 PolarHBondContact O-N 3.03Å; I1276-T1278 VanDerWaalsContact O-N 3.1Å; I1276-Y1279 HydrophobicContact CG2-CE2 4.4Å; I1276-G1302 WeakPolarHBondContact CD1-O 3.5Å; I1276-G1302 VanDerWaalsContact CG1-O 3.28Å; I1276-G1302 WeakPolarHBondContact CG1-O 3.38Å; I1276-T1307 HydrophobicContact CG1-CG2 4.46Å; I1276-R1311 PolarHBondContact O-NH2 3.41Å | ||
| 1277 | G | 29.3 | Very low | 32.2 | Very low | 33.8 Ų | 33.8 | 90.6 Ų | 90.6 | 35% | 0.348 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 135.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N1273 L1275 Y1279 S1301 R1311 | N1273-G1277 WeakPolarHBondContact O-CA 3.36Å; N1273-G1277 PolarHBondContact O-N 3.41Å; L1275-G1277 VanDerWaalsContact C-N 3.3Å; L1275-G1277 PolarHBondContact O-N 3.04Å; L1275-G1277 VanDerWaalsContact O-N 3.13Å; G1277-Y1279 PolarHBondContact O-N 3.32Å; G1277-Y1279 VanDerWaalsContact O-N 3.1Å; G1277-S1301 VanDerWaalsContact CA-OG 3.25Å; G1277-S1301 WeakPolarHBondContact CA-OG 3.45Å; G1277-R1311 PolarHBondContact O-NH1 2.97Å; G1277-R1311 PolarHBondContact O-NH2 2.87Å; G1277-R1311 VanDerWaalsContact O-NH2 3.16Å |
| 1278 | T | 28.7 | Very low | 32.1 | Very low | 114.2 Ų | 114.2 | 91.9 Ų | 91.9 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 140.4 | 168.9 | 32.7 | 0 | 0 | 0 | 0 | 109.9 | Y460 I1276 C1280 | Y460-T1278 HydrophobicContact CD2-CG2 4.24Å; Y460-T1278 HydrophobicContact CE2-CG2 4.49Å; I1276-T1278 PolarHBondContact O-N 3.03Å; I1276-T1278 VanDerWaalsContact O-N 3.1Å; T1278-C1280 PolarHBondContact O-N 3.26Å; T1278-C1280 VanDerWaalsContact O-N 3.14Å |
| 1279 | Y | 31.4 | Very low | 32.2 | Very low | 150 Ų | 150 | 95.2 Ų | 95.2 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -53 | 129.1 | -178.5 | -89.9 | -92.5 | 0 | 0 | 0 | 110.9 | N964 I1276 G1277 S1281 M1299 Y1308 R1311 | N964-Y1279 HydrophobicContact CB-CE2 3.99Å; N964-Y1279 WeakPolarHBondContact ND2-CE2 3.49Å; N964-Y1279 PolarHBondContact ND2-OH 3.47Å; I1276-Y1279 HydrophobicContact CG2-CE2 4.4Å; G1277-Y1279 PolarHBondContact O-N 3.32Å; G1277-Y1279 VanDerWaalsContact O-N 3.1Å; Y1279-S1281 VanDerWaalsContact C-N 3.3Å; Y1279-S1281 WeakPolarHBondContact O-CA 3.35Å; Y1279-S1281 PolarHBondContact O-N 3.28Å; Y1279-M1299 HydrophobicContact CD2-CE 3.84Å; Y1279-M1299 HydrophobicContact CE2-CE 4.25Å; Y1279-M1299 HydrophobicContact CG-CE 4.13Å; Y1279-Y1308 VanDerWaalsContact OH-CD2 3.25Å; Y1279-Y1308 WeakPolarHBondContact OH-CD2 3.29Å; Y1279-R1311 PolarHBondContact OH-NH2 2.84Å |
| 1280 | C | 26.8 | Very low | 32 | Very low | 93.6 Ų | 93.6 | 98.6 Ų | 98.6 | 63% | 0.632 | 57% | 0.572 | S | S | * | * | trans | -62.5 | 108.4 | 161.7 | -77.7 | 0 | 0 | 0 | 0 | 107.2 | S956 W958 T1278 T1282 M1299 | S956-C1280 PolarHBondContact OG-SG 3.12Å; S956-C1280 VanDerWaalsContact OG-SG 3.39Å; W958-C1280 WeakPolarHBondContact CB-SG 3.35Å; W958-C1280 PolarHBondContact O-SG 3.23Å; W958-C1280 VanDerWaalsContact O-SG 3.33Å; T1278-C1280 PolarHBondContact O-N 3.26Å; T1278-C1280 VanDerWaalsContact O-N 3.14Å; C1280-T1282 PolarHBondContact O-N 3.03Å; C1280-T1282 VanDerWaalsContact O-N 3.16Å; C1280-M1299 HydrophobicContact CB-CE 4.28Å | ||
| 1281 | S | 27.1 | Very low | 32 | Very low | 90.8 Ų | 90.8 | 103.6 Ų | 103.6 | 64% | 0.635 | 60% | 0.595 | S | S | * | * | trans | -58.8 | 114.8 | 172.7 | 48.3 | 0 | 0 | 0 | 0 | 107.3 | Y1279 T1283 | Y1279-S1281 VanDerWaalsContact C-N 3.3Å; Y1279-S1281 WeakPolarHBondContact O-CA 3.35Å; Y1279-S1281 PolarHBondContact O-N 3.28Å; S1281-T1283 VanDerWaalsContact C-N 3.3Å; S1281-T1283 PolarHBondContact O-N 3.12Å | ||
| 1282 | T | 29.7 | Very low | 31.6 | Very low | 133.4 Ų | 133.4 | 109.5 Ų | 109.5 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | trans | -61.5 | 48.1 | 173.7 | 45.3 | 0 | 0 | 0 | 0 | 110.7 | C1280 T1284 | C1280-T1282 PolarHBondContact O-N 3.03Å; C1280-T1282 VanDerWaalsContact O-N 3.16Å; T1282-T1284 PolarHBondContact O-N 2.96Å; T1282-T1284 VanDerWaalsContact O-N 3.15Å | ||
| 1283 | T | 27.4 | Very low | 31.4 | Very low | 101.6 Ų | 101.6 | 112.2 Ų | 112.2 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | trans | -85.8 | 108.3 | 179.7 | 39.4 | 0 | 0 | 0 | 0 | 108.7 | S1281 | S1281-T1283 VanDerWaalsContact C-N 3.3Å; S1281-T1283 PolarHBondContact O-N 3.12Å | ||
| 1284 | T | 27.8 | Very low | 31 | Very low | 99.8 Ų | 99.8 | 114.6 Ų | 114.6 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | trans | -52.8 | 122 | 164.2 | 35.5 | 0 | 0 | 0 | 0 | 110.6 | T1282 S1286 L1287 | T1282-T1284 PolarHBondContact O-N 2.96Å; T1282-T1284 VanDerWaalsContact O-N 3.15Å; T1284-S1286 PolarHBondContact O-N 3.05Å; T1284-S1286 PolarHBondContact OG1-OG 3.46Å; T1284-L1287 PolarHBondContact O-N 3.3Å | ||
| 1285 | P | 34.2 | Very low | 30.6 | Very low | 120.6 Ų | 120.6 | 119.8 Ų | 119.8 | 78% | 0.783 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -65.1 | 0.5 | -175.9 | 7.2 | -8.6 | 0 | 0 | 0 | 115 | L1287 | P1285-L1287 VanDerWaalsContact C-N 3.31Å; P1285-L1287 PolarHBondContact O-N 3.3Å |
| 1286 | S | 34 | Very low | 30.3 | Very low | 95.2 Ų | 95.2 | 123.7 Ų | 123.7 | 67% | 0.666 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -76 | -11.5 | -179.4 | 58.9 | 0 | 0 | 0 | 0 | 115 | T1284 | T1284-S1286 PolarHBondContact O-N 3.05Å; T1284-S1286 PolarHBondContact OG1-OG 3.46Å |
| 1287 | L | 31.8 | Very low | 30.1 | Very low | 127.4 Ų | 127.4 | 124.9 Ų | 124.9 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -102 | 12.6 | -177.6 | -136.1 | 86 | 0 | 0 | 0 | 114.9 | T1284 P1285 N1289 | T1284-L1287 PolarHBondContact O-N 3.3Å; P1285-L1287 VanDerWaalsContact C-N 3.31Å; P1285-L1287 PolarHBondContact O-N 3.3Å; L1287-N1289 VanDerWaalsContact C-N 3.28Å; L1287-N1289 PolarHBondContact O-N 2.93Å |
| 1288 | L | 29.8 | Very low | 30 | Very low | 150.2 Ų | 150.2 | 129.9 Ų | 129.9 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | trans | -88.3 | 4.1 | 176.5 | -91.9 | 163.7 | 0 | 0 | 0 | 114.3 | ||||
| 1289 | N | 32.8 | Very low | 30 | Very low | 152.4 Ų | 152.4 | 131.7 Ų | 131.7 | 82% | 0.815 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 22.1 | 179.5 | -77.6 | 0 | 0 | 0 | 0 | 113.9 | L1287 | L1287-N1289 VanDerWaalsContact C-N 3.28Å; L1287-N1289 PolarHBondContact O-N 2.93Å |
| 1290 | Q | 29.7 | Very low | 30 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | -115 | 111.8 | 169.1 | -74.1 | -170.2 | -18 | 0 | 0 | 110.2 | E1292 | Q1290-E1292 PolarHBondContact O-N 2.87Š| ||
| 1291 | D | 32.7 | Very low | 30.4 | Very low | 162.4 Ų | 162.4 | 130.6 Ų | 130.6 | 87% | 0.868 | 71% | 0.71 | S | S | * | * | trans | -60.8 | 99.9 | 178.1 | -71.5 | -51.1 | 0 | 0 | 0 | 112.8 | ||||
| 1292 | E | 29 | Very low | 30.7 | Very low | 166.6 Ų | 166.6 | 127.7 Ų | 127.7 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | trans | -102.8 | 107.7 | 160.2 | -71 | -169.8 | 168.9 | 0 | 0 | 114.5 | Q1290 N1294 | Q1290-E1292 PolarHBondContact O-N 2.87Å; E1292-N1294 PolarHBondContact O-N 3.46Å; E1292-N1294 VanDerWaalsContact O-N 3.09Å | ||
| 1293 | S | 32 | Very low | 31.2 | Very low | 104.4 Ų | 104.4 | 124 Ų | 124 | 73% | 0.73 | 67% | 0.674 | S | S | * | * | trans | 34.7 | 67.6 | 154.5 | 62.8 | 0 | 0 | 0 | 0 | 117.4 | E1295 | S1293-E1295 PolarHBondContact O-N 3.04Å; S1293-E1295 VanDerWaalsContact O-N 3.09Å | ||
| 1294 | N | 30.5 | Very low | 32.2 | Very low | 140.6 Ų | 140.6 | 121.4 Ų | 121.4 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | trans | -84.4 | 56.2 | 168.9 | -91.9 | -37.8 | 0 | 0 | 0 | 113.5 | E1292 N1296 | E1292-N1294 PolarHBondContact O-N 3.46Å; E1292-N1294 VanDerWaalsContact O-N 3.09Å; N1294-N1296 PolarHBondContact O-N 3.35Å | ||
| 1295 | E | 29.6 | Very low | 33.3 | Very low | 162 Ų | 162 | 118.3 Ų | 118.3 | 76% | 0.757 | 64% | 0.637 | S | S | * | * | trans | -69.1 | 4.7 | 179.7 | -68.6 | -171.7 | 151.1 | 0 | 0 | 112.9 | S1293 L1297 | S1293-E1295 PolarHBondContact O-N 3.04Å; S1293-E1295 VanDerWaalsContact O-N 3.09Å; E1295-L1297 VanDerWaalsContact C-N 3.31Å; E1295-L1297 PolarHBondContact O-N 3.15Å | ||
| 1296 | N | 28.9 | Very low | 34.2 | Very low | 146 Ų | 146 | 114.7 Ų | 114.7 | 78% | 0.781 | 61% | 0.611 | S | S | * | * | trans | -70.4 | 15.8 | -178.8 | -69.7 | -29.7 | 0 | 0 | 0 | 114.9 | N1294 Q1298 Y1300 | N1294-N1296 PolarHBondContact O-N 3.35Å; N1296-Q1298 PolarHBondContact O-N 3.04Å; N1296-Y1300 WeakPolarHBondContact O-CD2 3.28Å; N1296-Y1300 WeakPolarHBondContact O-CE2 3.06Å | ||
| 1297 | L | 28.2 | Very low | 35.1 | Very low | 118.6 Ų | 118.6 | 111 Ų | 111 | 62% | 0.621 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.1 | 26.3 | 171.2 | -93.3 | 156.5 | 0 | 0 | 0 | 112.6 | K966 N1097 V1098 E1295 M1299 | K966-L1297 VanDerWaalsContact NZ-CD1 3.33Å; N1097-L1297 VanDerWaalsContact O-CD1 3.3Å; N1097-L1297 WeakPolarHBondContact O-CD1 3.3Å; N1097-L1297 VanDerWaalsContact O-CG 3.25Å; N1097-L1297 WeakPolarHBondContact O-CG 3.43Å; N1097-L1297 VanDerWaalsContact OD1-CD2 3.23Å; N1097-L1297 WeakPolarHBondContact OD1-CD2 3.47Å; V1098-L1297 HydrophobicContact CG2-CD1 3.89Å; V1098-L1297 HydrophobicContact CG2-CD2 3.86Å; E1295-L1297 VanDerWaalsContact C-N 3.31Å; E1295-L1297 PolarHBondContact O-N 3.15Å; L1297-M1299 PolarHBondContact O-N 3.28Å |
| 1298 | Q | 28.3 | Very low | 36.2 | Very low | 139.8 Ų | 139.8 | 108 Ų | 108 | 65% | 0.653 | 56% | 0.564 | S | S | * | * | trans | -75.5 | 17.4 | 178.1 | -70.8 | -174.4 | -5.9 | 0 | 0 | 112.5 | N1296 Y1300 S1301 | N1296-Q1298 PolarHBondContact O-N 3.04Å; Q1298-Y1300 VanDerWaalsContact C-N 3.29Å; Q1298-Y1300 HydrophobicContact CB-CD2 4.43Å; Q1298-Y1300 HydrophobicContact CB-CE2 3.91Å; Q1298-Y1300 WeakPolarHBondContact O-CD2 3.19Å; Q1298-Y1300 PolarHBondContact O-N 3.23Å; Q1298-Y1300 PolarHBondContact OE1-OH 3.16Å; Q1298-S1301 PolarHBondContact O-OG 3.28Å | ||
| 1299 | M | 29.2 | Very low | 37.5 | Very low | 151.2 Ų | 151.2 | 102 Ų | 102 | 75% | 0.745 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 24 | -178.4 | -91.3 | -175.5 | 96.6 | 0 | 0 | 113.3 | Y1279 C1280 L1297 | Y1279-M1299 HydrophobicContact CD2-CE 3.84Å; Y1279-M1299 HydrophobicContact CE2-CE 4.25Å; Y1279-M1299 HydrophobicContact CG-CE 4.13Å; C1280-M1299 HydrophobicContact CB-CE 4.28Å; L1297-M1299 PolarHBondContact O-N 3.28Å |
| 1300 | Y | 31.4 | Very low | 38.8 | Very low | 152.6 Ų | 152.6 | 94.9 Ų | 94.9 | 60% | 0.598 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 47.1 | -179.8 | -71.2 | -81.2 | 0 | 0 | 0 | 113.9 | H1093 S1264 N1296 Q1298 G1302 C1303 T1304 | H1093-Y1300 HydrophobicContact CB-CD2 3.78Å; H1093-Y1300 HydrophobicContact CB-CE2 3.59Å; S1264-Y1300 PolarHBondContact OG-OH 3.48Å; N1296-Y1300 WeakPolarHBondContact O-CD2 3.28Å; N1296-Y1300 WeakPolarHBondContact O-CE2 3.06Å; Q1298-Y1300 VanDerWaalsContact C-N 3.29Å; Q1298-Y1300 HydrophobicContact CB-CD2 4.43Å; Q1298-Y1300 HydrophobicContact CB-CE2 3.91Å; Q1298-Y1300 WeakPolarHBondContact O-CD2 3.19Å; Q1298-Y1300 PolarHBondContact O-N 3.23Å; Q1298-Y1300 PolarHBondContact OE1-OH 3.16Å; Y1300-G1302 VanDerWaalsContact C-N 3.33Å; Y1300-G1302 PolarHBondContact O-N 3.32Å; Y1300-C1303 HydrophobicContact CD1-CB 4.23Å; Y1300-C1303 PolarHBondContact O-N 3.4Å; Y1300-C1303 PolarHBondContact O-SG 2.85Å; Y1300-T1304 PolarHBondContact O-N 3.29Å |
| 1301 | S | 34 | Very low | 40.2 | Very low | 67 Ų | 67 | 91.1 Ų | 91.1 | 47% | 0.469 | 47% | 0.474 | S | S | . | . | trans | -60.1 | 19.8 | -176.7 | 62.2 | 0 | 0 | 0 | 0 | 115.2 | G1277 Q1298 C1303 T1304 I1305 | G1277-S1301 VanDerWaalsContact CA-OG 3.25Å; G1277-S1301 WeakPolarHBondContact CA-OG 3.45Å; Q1298-S1301 PolarHBondContact O-OG 3.28Å; S1301-C1303 PolarHBondContact O-N 3.45Å; S1301-T1304 PolarHBondContact O-N 3.07Å; S1301-T1304 PolarHBondContact O-OG1 3.38Å; S1301-I1305 WeakPolarHBondContact O-CG1 3.39Å; S1301-I1305 PolarHBondContact O-N 3.12Å; S1301-I1305 VanDerWaalsContact O-N 3.16Å | ||
| 1302 | G | 34.4 | Very low | 41.5 | Very low | 31.4 Ų | 31.4 | 85.3 Ų | 85.3 | 32% | 0.324 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.4 | 19.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | N1273 I1276 Y1300 T1304 I1306 | N1273-G1302 WeakPolarHBondContact CA-O 3.28Å; N1273-G1302 VanDerWaalsContact CB-O 3.3Å; N1273-G1302 WeakPolarHBondContact CB-O 3.35Å; I1276-G1302 WeakPolarHBondContact CD1-O 3.5Å; I1276-G1302 VanDerWaalsContact CG1-O 3.28Å; I1276-G1302 WeakPolarHBondContact CG1-O 3.38Å; Y1300-G1302 VanDerWaalsContact C-N 3.33Å; Y1300-G1302 PolarHBondContact O-N 3.32Å; G1302-T1304 VanDerWaalsContact C-N 3.3Å; G1302-T1304 PolarHBondContact O-N 2.92Å; G1302-I1306 WeakPolarHBondContact O-CG1 3.28Å; G1302-I1306 PolarHBondContact O-N 3.35Å |
| 1303 | C | 38.9 | Very low | 43.2 | Very low | 55.8 Ų | 55.8 | 79.2 Ų | 79.2 | 38% | 0.377 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -76.6 | 104.2 | 173.7 | -71.8 | 0 | 0 | 0 | 0 | 111 | L1275 Y1300 S1301 I1305 I1306 T1307 R1311 | L1275-C1303 VanDerWaalsContact O-CA 3.32Å; L1275-C1303 WeakPolarHBondContact O-CA 3.34Å; L1275-C1303 PolarHBondContact O-SG 3.28Å; Y1300-C1303 HydrophobicContact CD1-CB 4.23Å; Y1300-C1303 PolarHBondContact O-N 3.4Å; Y1300-C1303 PolarHBondContact O-SG 2.85Å; S1301-C1303 PolarHBondContact O-N 3.45Å; C1303-I1305 VanDerWaalsContact C-N 3.32Å; C1303-I1305 PolarHBondContact O-N 3.43Å; C1303-I1306 PolarHBondContact O-N 3.04Å; C1303-T1307 WeakPolarHBondContact CA-OG1 3.41Å; C1303-T1307 WeakPolarHBondContact CB-OG1 3.34Å; C1303-T1307 WeakPolarHBondContact O-CB 3.49Å; C1303-T1307 PolarHBondContact O-N 3.37Å; C1303-T1307 VanDerWaalsContact O-N 3.12Å; C1303-T1307 PolarHBondContact O-OG1 3.13Å; C1303-R1311 PolarHBondContact SG-NH1 3.48Å |
| 1304 | T | 48.4 | Very low | 44.6 | Very low | 45.4 Ų | 45.4 | 78.8 Ų | 78.8 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.8 | 174.6 | 172.1 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | F962 L1251 I1272 L1275 Y1300 S1301 G1302 I1306 T1307 Y1308 | F962-T1304 HydrophobicContact CD1-CG2 3.36Å; F962-T1304 HydrophobicContact CE1-CG2 3.15Å; F962-T1304 HydrophobicContact CG-CG2 4.28Å; F962-T1304 HydrophobicContact CZ-CG2 3.96Å; L1251-T1304 HydrophobicContact CD2-CG2 4.12Å; I1272-T1304 HydrophobicContact CG2-CG2 3.62Å; I1272-T1304 WeakPolarHBondContact CG2-OG1 3.39Å; I1272-T1304 VanDerWaalsContact O-CG2 3.31Å; I1272-T1304 WeakPolarHBondContact O-CG2 3.24Å; L1275-T1304 HydrophobicContact CB-CG2 3.37Å; L1275-T1304 HydrophobicContact CD1-CG2 4.04Å; L1275-T1304 HydrophobicContact CG-CG2 4.26Å; L1275-T1304 WeakPolarHBondContact O-CG2 3.23Å; Y1300-T1304 PolarHBondContact O-N 3.29Å; S1301-T1304 PolarHBondContact O-N 3.07Å; S1301-T1304 PolarHBondContact O-OG1 3.38Å; G1302-T1304 VanDerWaalsContact C-N 3.3Å; G1302-T1304 PolarHBondContact O-N 2.92Å; T1304-I1306 PolarHBondContact O-N 3.09Å; T1304-I1306 VanDerWaalsContact O-N 3.09Å; T1304-I1306 PolarHBondContact OG1-N 3.4Å; T1304-T1307 WeakPolarHBondContact CA-OG1 3.44Å; T1304-T1307 PolarHBondContact N-OG1 3.34Å; T1304-T1307 VanDerWaalsContact N-OG1 3.1Å; T1304-T1307 WeakPolarHBondContact O-CA 3.47Å; T1304-T1307 PolarHBondContact O-N 3.01Å; T1304-T1307 PolarHBondContact O-OG1 3.01Å; T1304-T1307 WeakPolarHBondContact OG1-CG2 3.35Å; T1304-T1307 PolarHBondContact OG1-N 3.18Å; T1304-Y1308 WeakPolarHBondContact O-CB 3.37Å; T1304-Y1308 PolarHBondContact O-N 2.83Å; T1304-Y1308 VanDerWaalsContact O-N 3.17Å |
| 1305 | I | 51.1 | Low | 46.1 | Very low | 36.4 Ų | 36.4 | 77.7 Ų | 77.7 | 19% | 0.187 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 176.4 | -56.9 | 163.5 | 0 | 0 | 0 | 111.2 | L934 V963 I968 S1301 C1303 T1307 Y1308 I1309 | L934-I1305 HydrophobicContact CB-CD1 4.27Å; L934-I1305 HydrophobicContact CD2-CB 4.03Å; L934-I1305 HydrophobicContact CD2-CD1 4Å; L934-I1305 HydrophobicContact CD2-CG2 4.02Å; L934-I1305 WeakPolarHBondContact O-CD1 3.18Å; V963-I1305 HydrophobicContact CB-CD1 3.48Å; V963-I1305 VanDerWaalsContact CB-CD1 3.46Å; V963-I1305 HydrophobicContact CB-CG1 3.86Å; V963-I1305 HydrophobicContact CG1-CD1 4.38Å; V963-I1305 HydrophobicContact CG2-CD1 3.38Å; V963-I1305 HydrophobicContact CG2-CG1 4.27Å; I968-I1305 HydrophobicContact CD1-CG2 4.02Å; S1301-I1305 WeakPolarHBondContact O-CG1 3.39Å; S1301-I1305 PolarHBondContact O-N 3.12Å; S1301-I1305 VanDerWaalsContact O-N 3.16Å; C1303-I1305 VanDerWaalsContact C-N 3.32Å; C1303-I1305 PolarHBondContact O-N 3.43Å; I1305-T1307 VanDerWaalsContact C-N 3.32Å; I1305-T1307 PolarHBondContact O-N 2.91Å; I1305-Y1308 WeakPolarHBondContact O-CB 3.26Å; I1305-Y1308 PolarHBondContact O-N 3.13Å; I1305-Y1308 VanDerWaalsContact O-N 3.1Å; I1305-I1309 HydrophobicContact CG2-CD1 3.7Å; I1305-I1309 HydrophobicContact CG2-CG1 4.2Å; I1305-I1309 VanDerWaalsContact O-CB 3.27Å; I1305-I1309 WeakPolarHBondContact O-CB 3.22Å; I1305-I1309 VanDerWaalsContact O-CG1 3.25Å; I1305-I1309 WeakPolarHBondContact O-CG1 3.35Å; I1305-I1309 PolarHBondContact O-N 2.95Å |
| 1306 | I | 53.8 | Low | 47.9 | Very low | 45.2 Ų | 45.2 | 71.8 Ų | 71.8 | 23% | 0.232 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 179.5 | -63 | 173.1 | 0 | 0 | 0 | 111.2 | L636 L742 L934 P1237 L1240 L1241 I1272 L1275 G1302 C1303 T1304 Y1308 I1309 A1310 | L636-I1306 HydrophobicContact CD2-CD1 4.01Å; L742-I1306 HydrophobicContact CD1-CD1 3.83Å; L742-I1306 HydrophobicContact CD1-CG1 4.47Å; L934-I1306 HydrophobicContact CB-CD1 4.24Å; L934-I1306 HydrophobicContact CB-CG1 3.89Å; L934-I1306 HydrophobicContact CD1-CG1 4.32Å; L934-I1306 HydrophobicContact CD2-CG1 4.1Å; L934-I1306 HydrophobicContact CG-CG1 4.31Å; P1237-I1306 HydrophobicContact CB-CG2 4.16Å; L1240-I1306 HydrophobicContact CB-CG2 4.16Å; L1240-I1306 HydrophobicContact CD1-CD1 4.35Å; L1240-I1306 HydrophobicContact CD1-CG2 3.47Å; L1240-I1306 VanDerWaalsContact CD1-CG2 3.48Å; L1240-I1306 HydrophobicContact CG-CG2 4.46Å; L1241-I1306 HydrophobicContact CD2-CG2 4.36Å; I1272-I1306 HydrophobicContact CD1-CG2 4.1Å; L1275-I1306 HydrophobicContact CD1-CG2 4.39Å; G1302-I1306 WeakPolarHBondContact O-CG1 3.28Å; G1302-I1306 PolarHBondContact O-N 3.35Å; C1303-I1306 PolarHBondContact O-N 3.04Å; T1304-I1306 PolarHBondContact O-N 3.09Å; T1304-I1306 VanDerWaalsContact O-N 3.09Å; T1304-I1306 PolarHBondContact OG1-N 3.4Å; I1306-Y1308 VanDerWaalsContact C-N 3.3Å; I1306-Y1308 PolarHBondContact O-N 3.24Å; I1306-I1309 PolarHBondContact O-N 2.97Å; I1306-A1310 VanDerWaalsContact O-CB 3.25Å; I1306-A1310 WeakPolarHBondContact O-CB 3.36Å; I1306-A1310 PolarHBondContact O-N 3.25Å |
| 1307 | T | 53.2 | Low | 49.7 | Very low | 15.6 Ų | 15.6 | 66.5 Ų | 66.5 | 10% | 0.096 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 174.9 | 28.4 | 0 | 0 | 0 | 0 | 111.9 | L1241 L1251 I1272 N1273 L1275 I1276 C1303 T1304 I1305 A1310 R1311 | L1241-T1307 HydrophobicContact CD1-CG2 4.28Å; L1241-T1307 HydrophobicContact CD2-CG2 4.15Å; L1251-T1307 HydrophobicContact CD1-CG2 4.47Å; I1272-T1307 HydrophobicContact CB-CG2 3.52Å; I1272-T1307 VanDerWaalsContact CB-CG2 3.41Å; I1272-T1307 HydrophobicContact CD1-CG2 4.03Å; I1272-T1307 HydrophobicContact CG1-CG2 4.43Å; I1272-T1307 HydrophobicContact CG2-CG2 3.54Å; I1272-T1307 VanDerWaalsContact CG2-CG2 3.41Å; I1272-T1307 WeakPolarHBondContact CG2-OG1 3.44Å; N1273-T1307 PolarHBondContact OD1-OG1 3.33Å; L1275-T1307 HydrophobicContact CB-CG2 4.18Å; L1275-T1307 WeakPolarHBondContact O-CG2 3.23Å; I1276-T1307 HydrophobicContact CG1-CG2 4.46Å; C1303-T1307 WeakPolarHBondContact CA-OG1 3.41Å; C1303-T1307 WeakPolarHBondContact CB-OG1 3.34Å; C1303-T1307 WeakPolarHBondContact O-CB 3.49Å; C1303-T1307 PolarHBondContact O-N 3.37Å; C1303-T1307 VanDerWaalsContact O-N 3.12Å; C1303-T1307 PolarHBondContact O-OG1 3.13Å; T1304-T1307 WeakPolarHBondContact CA-OG1 3.44Å; T1304-T1307 PolarHBondContact N-OG1 3.34Å; T1304-T1307 VanDerWaalsContact N-OG1 3.1Å; T1304-T1307 WeakPolarHBondContact O-CA 3.47Å; T1304-T1307 PolarHBondContact O-N 3.01Å; T1304-T1307 PolarHBondContact O-OG1 3.01Å; T1304-T1307 WeakPolarHBondContact OG1-CG2 3.35Å; T1304-T1307 PolarHBondContact OG1-N 3.18Å; I1305-T1307 VanDerWaalsContact C-N 3.32Å; I1305-T1307 PolarHBondContact O-N 2.91Å; T1307-A1310 WeakPolarHBondContact O-CB 3.27Å; T1307-A1310 PolarHBondContact O-N 3.01Å; T1307-R1311 WeakPolarHBondContact O-CA 3.4Å; T1307-R1311 VanDerWaalsContact O-CB 3.29Å; T1307-R1311 WeakPolarHBondContact O-CB 3.36Å; T1307-R1311 VanDerWaalsContact O-CG 3.28Å; T1307-R1311 WeakPolarHBondContact O-CG 3.41Å; T1307-R1311 PolarHBondContact O-N 3.18Å |
| 1308 | Y | 53.7 | Low | 51.4 | Low | 66 Ų | 66 | 64.1 Ų | 64.1 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.6 | -47 | 177.4 | -179.4 | -103.1 | 0 | 0 | 0 | 111.9 | L965 Y1279 T1304 I1305 I1306 A1310 R1311 I1312 | L965-Y1308 HydrophobicContact CD1-CD1 3.65Å; L965-Y1308 HydrophobicContact CD1-CD2 4.12Å; L965-Y1308 HydrophobicContact CD1-CE1 3.32Å; L965-Y1308 HydrophobicContact CD1-CE2 3.67Å; L965-Y1308 HydrophobicContact CD1-CG 4.14Å; L965-Y1308 WeakPolarHBondContact CD1-OH 3.49Å; L965-Y1308 HydrophobicContact CD2-CD1 4.14Å; L965-Y1308 HydrophobicContact CD2-CD2 4.14Å; L965-Y1308 HydrophobicContact CD2-CE1 3.83Å; L965-Y1308 HydrophobicContact CD2-CE2 3.88Å; L965-Y1308 WeakPolarHBondContact CD2-OH 3.22Å; L965-Y1308 HydrophobicContact CG-CD1 4.24Å; L965-Y1308 HydrophobicContact CG-CE1 4.06Å; L965-Y1308 HydrophobicContact CG-CE2 4.43Å; Y1279-Y1308 VanDerWaalsContact OH-CD2 3.25Å; Y1279-Y1308 WeakPolarHBondContact OH-CD2 3.29Å; T1304-Y1308 WeakPolarHBondContact O-CB 3.37Å; T1304-Y1308 PolarHBondContact O-N 2.83Å; T1304-Y1308 VanDerWaalsContact O-N 3.17Å; I1305-Y1308 WeakPolarHBondContact O-CB 3.26Å; I1305-Y1308 PolarHBondContact O-N 3.13Å; I1305-Y1308 VanDerWaalsContact O-N 3.1Å; I1306-Y1308 VanDerWaalsContact C-N 3.3Å; I1306-Y1308 PolarHBondContact O-N 3.24Å; Y1308-A1310 VanDerWaalsContact C-N 3.3Å; Y1308-A1310 PolarHBondContact O-N 2.78Å; Y1308-R1311 CarbonylContact O-C 3.52Å; Y1308-R1311 WeakPolarHBondContact O-CA 3.33Å; Y1308-R1311 WeakPolarHBondContact O-CB 3.47Å; Y1308-R1311 PolarHBondContact O-N 3.07Å; Y1308-R1311 VanDerWaalsContact O-N 3.12Å; Y1308-I1312 HydrophobicContact CD1-CD1 3.64Å; Y1308-I1312 HydrophobicContact CD1-CG1 4.3Å; Y1308-I1312 HydrophobicContact CD2-CD1 4.46Å; Y1308-I1312 HydrophobicContact CD2-CG1 4.49Å; Y1308-I1312 HydrophobicContact CE1-CD1 3.09Å; Y1308-I1312 HydrophobicContact CE1-CG1 3.88Å; Y1308-I1312 HydrophobicContact CE2-CD1 4.07Å; Y1308-I1312 HydrophobicContact CE2-CG1 4.25Å; Y1308-I1312 HydrophobicContact CG-CD1 4.27Å; Y1308-I1312 VanDerWaalsContact CZ-CD1 3.48Å; Y1308-I1312 WeakPolarHBondContact O-CG1 3.11Å; Y1308-I1312 PolarHBondContact O-N 3.18Å; Y1308-I1312 WeakPolarHBondContact OH-CD1 3.44Å |
| 1309 | I | 58.5 | Low | 53.2 | Low | 23 Ų | 23 | 60.3 Ų | 60.3 | 12% | 0.118 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 175.6 | -67.1 | 172.6 | 0 | 0 | 0 | 110.3 | I927 L929 L934 F983 P1237 I1305 I1306 R1311 I1312 H1313 | I927-I1309 HydrophobicContact CD1-CG2 3.71Å; I927-I1309 HydrophobicContact CG2-CG2 4.36Å; L929-I1309 HydrophobicContact CD2-CD1 4.16Å; L934-I1309 HydrophobicContact CD2-CD1 3.63Å; L934-I1309 VanDerWaalsContact CD2-CD1 3.44Å; F983-I1309 HydrophobicContact CE2-CD1 4.35Å; F983-I1309 HydrophobicContact CE2-CG1 4.26Å; F983-I1309 HydrophobicContact CZ-CG1 4.03Å; F983-I1309 HydrophobicContact CZ-CG2 4.31Å; P1237-I1309 HydrophobicContact CB-CB 4.3Å; P1237-I1309 HydrophobicContact CB-CG2 3.66Å; P1237-I1309 VanDerWaalsContact CB-CG2 3.49Å; P1237-I1309 HydrophobicContact CG-CB 4.2Å; P1237-I1309 HydrophobicContact CG-CG2 3.52Å; P1237-I1309 VanDerWaalsContact CG-CG2 3.46Å; I1305-I1309 HydrophobicContact CG2-CD1 3.7Å; I1305-I1309 HydrophobicContact CG2-CG1 4.2Å; I1305-I1309 VanDerWaalsContact O-CB 3.27Å; I1305-I1309 WeakPolarHBondContact O-CB 3.22Å; I1305-I1309 VanDerWaalsContact O-CG1 3.25Å; I1305-I1309 WeakPolarHBondContact O-CG1 3.35Å; I1305-I1309 PolarHBondContact O-N 2.95Å; I1306-I1309 PolarHBondContact O-N 2.97Å; I1309-R1311 VanDerWaalsContact C-N 3.3Å; I1309-R1311 PolarHBondContact O-N 2.88Å; I1309-I1312 PolarHBondContact O-N 3.45Å; I1309-H1313 VanDerWaalsContact O-CB 3.3Å; I1309-H1313 WeakPolarHBondContact O-CB 3.4Å; I1309-H1313 PolarHBondContact O-N 3.14Å |
| 1310 | A | 60.4 | Low | 55.1 | Low | 4.8 Ų | 4.8 | 53.7 Ų | 53.7 | 4% | 0.04 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1237 Q1238 L1241 I1272 I1306 T1307 Y1308 H1313 H1314 | P1237-A1310 HydrophobicContact CB-CB 4.28Å; P1237-A1310 WeakPolarHBondContact O-CB 3.37Å; Q1238-A1310 HydrophobicContact CB-CB 4.4Å; Q1238-A1310 HydrophobicContact CG-CB 4.45Å; L1241-A1310 HydrophobicContact CD1-CB 3.55Å; L1241-A1310 VanDerWaalsContact CD1-CB 3.43Å; L1241-A1310 HydrophobicContact CD2-CB 4.33Å; L1241-A1310 HydrophobicContact CG-CB 3.78Å; I1272-A1310 HydrophobicContact CD1-CB 3.93Å; I1272-A1310 HydrophobicContact CG1-CB 3.95Å; I1306-A1310 VanDerWaalsContact O-CB 3.25Å; I1306-A1310 WeakPolarHBondContact O-CB 3.36Å; I1306-A1310 PolarHBondContact O-N 3.25Å; T1307-A1310 WeakPolarHBondContact O-CB 3.27Å; T1307-A1310 PolarHBondContact O-N 3.01Å; Y1308-A1310 VanDerWaalsContact C-N 3.3Å; Y1308-A1310 PolarHBondContact O-N 2.78Å; A1310-H1313 PolarHBondContact O-N 3.16Å; A1310-H1314 VanDerWaalsContact O-CB 3.28Å; A1310-H1314 WeakPolarHBondContact O-CB 3.34Å; A1310-H1314 PolarHBondContact O-N 3.02Å |
| 1311 | R | 58 | Low | 57 | Low | 78 Ų | 78 | 48 Ų | 48 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.1 | -40.3 | 174.1 | -98 | 175.9 | 176.8 | 173.7 | -2.4 | 112.5 | L1241 N1273 I1276 G1277 Y1279 C1303 T1307 Y1308 I1309 H1313 H1314 R1315 | L1241-R1311 HydrophobicContact CD1-CG 4.2Å; L1241-R1311 HydrophobicContact CD2-CG 4.26Å; N1273-R1311 PolarHBondContact ND2-NH2 2.95Å; N1273-R1311 VanDerWaalsContact OD1-CZ 3.28Å; N1273-R1311 PolarHBondContact OD1-NH1 2.99Å; I1276-R1311 PolarHBondContact O-NH2 3.41Å; G1277-R1311 PolarHBondContact O-NH1 2.97Å; G1277-R1311 PolarHBondContact O-NH2 2.87Å; G1277-R1311 VanDerWaalsContact O-NH2 3.16Å; Y1279-R1311 PolarHBondContact OH-NH2 2.84Å; C1303-R1311 PolarHBondContact SG-NH1 3.48Å; T1307-R1311 WeakPolarHBondContact O-CA 3.4Å; T1307-R1311 VanDerWaalsContact O-CB 3.29Å; T1307-R1311 WeakPolarHBondContact O-CB 3.36Å; T1307-R1311 VanDerWaalsContact O-CG 3.28Å; T1307-R1311 WeakPolarHBondContact O-CG 3.41Å; T1307-R1311 PolarHBondContact O-N 3.18Å; Y1308-R1311 CarbonylContact O-C 3.52Å; Y1308-R1311 WeakPolarHBondContact O-CA 3.33Å; Y1308-R1311 WeakPolarHBondContact O-CB 3.47Å; Y1308-R1311 PolarHBondContact O-N 3.07Å; Y1308-R1311 VanDerWaalsContact O-N 3.12Å; I1309-R1311 VanDerWaalsContact C-N 3.3Å; I1309-R1311 PolarHBondContact O-N 2.88Å; R1311-H1313 VanDerWaalsContact C-N 3.33Å; R1311-H1314 PolarHBondContact O-N 3.21Å; R1311-R1315 VanDerWaalsContact O-CB 3.27Å; R1311-R1315 WeakPolarHBondContact O-CB 3.34Å; R1311-R1315 VanDerWaalsContact O-CG 3.25Å; R1311-R1315 WeakPolarHBondContact O-CG 3.37Å; R1311-R1315 PolarHBondContact O-N 3.1Å |
| 1312 | I | 60.5 | Low | 58.6 | Low | 40.4 Ų | 40.4 | 47.1 Ų | 47.1 | 21% | 0.207 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -48.5 | 171.8 | -70.6 | 168.9 | 0 | 0 | 0 | 109.3 | F983 W984 Y1308 I1309 H1314 R1315 F1316 | F983-I1312 HydrophobicContact CE1-CD1 4.21Å; F983-I1312 HydrophobicContact CE1-CG2 4.02Å; F983-I1312 HydrophobicContact CZ-CD1 4.17Å; W984-I1312 HydrophobicContact CH2-CG2 4.11Å; W984-I1312 HydrophobicContact CZ2-CG2 3.7Å; W984-I1312 VanDerWaalsContact CZ2-CG2 3.4Å; Y1308-I1312 HydrophobicContact CD1-CD1 3.64Å; Y1308-I1312 HydrophobicContact CD1-CG1 4.3Å; Y1308-I1312 HydrophobicContact CD2-CD1 4.46Å; Y1308-I1312 HydrophobicContact CD2-CG1 4.49Å; Y1308-I1312 HydrophobicContact CE1-CD1 3.09Å; Y1308-I1312 HydrophobicContact CE1-CG1 3.88Å; Y1308-I1312 HydrophobicContact CE2-CD1 4.07Å; Y1308-I1312 HydrophobicContact CE2-CG1 4.25Å; Y1308-I1312 HydrophobicContact CG-CD1 4.27Å; Y1308-I1312 VanDerWaalsContact CZ-CD1 3.48Å; Y1308-I1312 WeakPolarHBondContact O-CG1 3.11Å; Y1308-I1312 PolarHBondContact O-N 3.18Å; Y1308-I1312 WeakPolarHBondContact OH-CD1 3.44Å; I1309-I1312 PolarHBondContact O-N 3.45Å; I1312-H1314 VanDerWaalsContact C-N 3.3Å; I1312-H1314 PolarHBondContact O-N 3.02Å; I1312-R1315 PolarHBondContact O-N 3.12Å; I1312-F1316 VanDerWaalsContact O-CB 3.22Å; I1312-F1316 WeakPolarHBondContact O-CB 3.38Å; I1312-F1316 PolarHBondContact O-N 3.25Å |
| 1313 | H | 64.1 | Low | 60.2 | Low | 39.2 Ų | 39.2 | 47.3 Ų | 47.3 | 18% | 0.181 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | -180 | -166.4 | -112.3 | 0 | 0 | 0 | 111.3 | I927 I1234 R1235 Q1238 I1309 A1310 R1311 R1315 F1316 S1317 | I927-H1313 HydrophobicContact CD1-CB 3.8Å; I1234-H1313 PolarHBondContact O-CE1 2.58Å; R1235-H1313 PolarHBondContact O-CE1 3.22Å; R1235-H1313 PolarHBondContact O-ND1 3.4Å; Q1238-H1313 HydrophobicContact CB-CB 4.45Å; Q1238-H1313 WeakPolarHBondContact CB-ND1 3.31Å; Q1238-H1313 HydrophobicContact CG-CB 4.05Å; Q1238-H1313 VanDerWaalsContact NE2-C 3.27Å; Q1238-H1313 PolarHBondContact NE2-ND1 3.31Å; Q1238-H1313 PolarHBondContact NE2-O 3.26Å; Q1238-H1313 PolarHBondContact OE1-CE1 3.41Å; Q1238-H1313 PolarHBondContact OE1-ND1 3.34Å; I1309-H1313 VanDerWaalsContact O-CB 3.3Å; I1309-H1313 WeakPolarHBondContact O-CB 3.4Å; I1309-H1313 PolarHBondContact O-N 3.14Å; A1310-H1313 PolarHBondContact O-N 3.16Å; R1311-H1313 VanDerWaalsContact C-N 3.33Å; H1313-R1315 PolarHBondContact O-N 3.33Å; H1313-F1316 WeakPolarHBondContact O-CB 3.22Å; H1313-F1316 PolarHBondContact O-N 3.23Å; H1313-S1317 VanDerWaalsContact O-CB 3.31Å; H1313-S1317 WeakPolarHBondContact O-CB 3.33Å; H1313-S1317 PolarHBondContact O-N 3.11Å; H1313-S1317 PolarHBondContact O-OG 3.18Å; H1313-S1317 VanDerWaalsContact O-OG 3.1Å |
| 1314 | H | 62.5 | Low | 61.8 | Low | 96.2 Ų | 96.2 | 44.7 Ų | 44.7 | 45% | 0.445 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 176 | -176.3 | 62.9 | 0 | 0 | 0 | 112.4 | Q1238 L1241 A1310 R1311 I1312 F1316 S1317 I1318 | Q1238-H1314 HydrophobicContact CG-CB 4.27Å; Q1238-H1314 PolarHBondContact NE2-ND1 3.14Å; L1241-H1314 HydrophobicContact CD1-CB 4.14Å; A1310-H1314 VanDerWaalsContact O-CB 3.28Å; A1310-H1314 WeakPolarHBondContact O-CB 3.34Å; A1310-H1314 PolarHBondContact O-N 3.02Å; R1311-H1314 PolarHBondContact O-N 3.21Å; I1312-H1314 VanDerWaalsContact C-N 3.3Å; I1312-H1314 PolarHBondContact O-N 3.02Å; H1314-F1316 VanDerWaalsContact C-N 3.33Å; H1314-F1316 PolarHBondContact O-N 3.2Å; H1314-S1317 WeakPolarHBondContact O-CB 3.36Å; H1314-S1317 PolarHBondContact O-N 3.11Å; H1314-S1317 VanDerWaalsContact O-N 3.16Å; H1314-I1318 VanDerWaalsContact NE2-CD1 3.32Å; H1314-I1318 WeakPolarHBondContact NE2-CD1 3.39Å; H1314-I1318 WeakPolarHBondContact O-CB 3.13Å; H1314-I1318 VanDerWaalsContact O-CG1 3.29Å; H1314-I1318 WeakPolarHBondContact O-CG1 3.25Å; H1314-I1318 PolarHBondContact O-N 2.97Å |
| 1315 | R | 60.7 | Low | 62.9 | Low | 116.8 Ų | 116.8 | 42.9 Ų | 42.9 | 44% | 0.441 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 175 | -74.9 | 177.9 | 175 | -173.7 | -0.8 | 112.1 | N1088 L1089 R1311 I1312 H1313 S1317 I1318 L1319 | N1088-R1315 PolarHBondContact O-NH1 2.76Å; N1088-R1315 PolarHBondContact O-NH2 2.75Å; L1089-R1315 HydrophobicContact CD2-CB 3.48Å; L1089-R1315 VanDerWaalsContact CD2-CB 3.48Å; L1089-R1315 HydrophobicContact CD2-CG 4.3Å; L1089-R1315 HydrophobicContact CG-CB 4.05Å; L1089-R1315 PolarHBondContact O-NH1 3.46Å; R1311-R1315 VanDerWaalsContact O-CB 3.27Å; R1311-R1315 WeakPolarHBondContact O-CB 3.34Å; R1311-R1315 VanDerWaalsContact O-CG 3.25Å; R1311-R1315 WeakPolarHBondContact O-CG 3.37Å; R1311-R1315 PolarHBondContact O-N 3.1Å; I1312-R1315 PolarHBondContact O-N 3.12Å; H1313-R1315 PolarHBondContact O-N 3.33Å; R1315-S1317 VanDerWaalsContact C-N 3.31Å; R1315-S1317 PolarHBondContact O-N 3.31Å; R1315-I1318 PolarHBondContact O-N 3.05Å; R1315-L1319 VanDerWaalsContact O-CB 3.27Å; R1315-L1319 WeakPolarHBondContact O-CB 3.38Å; R1315-L1319 WeakPolarHBondContact O-CG 3.49Å; R1315-L1319 PolarHBondContact O-N 3Å |
| 1316 | F | 66.8 | Low | 63.7 | Low | 38.4 Ų | 38.4 | 44.2 Ų | 44.2 | 17% | 0.168 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -41.9 | 174.3 | -179.6 | -104.5 | 0 | 0 | 0 | 111.4 | Y925 W984 W1112 I1312 H1313 H1314 I1318 L1319 K1320 | Y925-F1316 HydrophobicContact CG-CZ 4.12Å; W984-F1316 HydrophobicContact CH2-CB 3.57Å; W984-F1316 VanDerWaalsContact CH2-CB 3.49Å; W984-F1316 AromaticContact CH2-CD1 3.65Å; W984-F1316 HydrophobicContact CH2-CD1 3.65Å; W984-F1316 AromaticContact CH2-CD2 3.8Å; W984-F1316 HydrophobicContact CH2-CD2 4.02Å; W984-F1316 HydrophobicContact CH2-CE1 4.34Å; W984-F1316 HydrophobicContact CH2-CE2 4.4Å; W984-F1316 AromaticContact CH2-CG 3.46Å; W984-F1316 HydrophobicContact CH2-CG 3.46Å; W984-F1316 VanDerWaalsContact CH2-CG 3.45Å; W984-F1316 HydrophobicContact CZ2-CB 3.91Å; W984-F1316 HydrophobicContact CZ2-CD1 4.35Å; W984-F1316 AromaticContact CZ2-CD2 3.61Å; W984-F1316 HydrophobicContact CZ2-CD2 3.98Å; W984-F1316 HydrophobicContact CZ2-CE2 4.28Å; W984-F1316 AromaticContact CZ2-CG 3.73Å; W984-F1316 HydrophobicContact CZ2-CG 3.85Å; W984-F1316 HydrophobicContact CZ3-CB 4.43Å; W984-F1316 AromaticContact CZ3-CD1 3.78Å; W984-F1316 HydrophobicContact CZ3-CD1 3.78Å; W984-F1316 HydrophobicContact CZ3-CD2 4.45Å; W984-F1316 HydrophobicContact CZ3-CE1 4.09Å; W984-F1316 AromaticContact CZ3-CG 3.99Å; W984-F1316 HydrophobicContact CZ3-CG 4.05Å; W984-F1316 HydrophobicContact CZ3-CZ 4.46Å; W1112-F1316 HydrophobicContact CE3-CE2 4.32Å; W1112-F1316 HydrophobicContact CH2-CD2 4.08Å; W1112-F1316 HydrophobicContact CH2-CE2 4.36Å; W1112-F1316 AromaticContact CZ3-CD2 3.62Å; W1112-F1316 HydrophobicContact CZ3-CD2 3.95Å; W1112-F1316 AromaticContact CZ3-CE2 3.7Å; W1112-F1316 HydrophobicContact CZ3-CE2 3.86Å; I1312-F1316 VanDerWaalsContact O-CB 3.22Å; I1312-F1316 WeakPolarHBondContact O-CB 3.38Å; I1312-F1316 PolarHBondContact O-N 3.25Å; H1313-F1316 WeakPolarHBondContact O-CB 3.22Å; H1313-F1316 PolarHBondContact O-N 3.23Å; H1314-F1316 VanDerWaalsContact C-N 3.33Å; H1314-F1316 PolarHBondContact O-N 3.2Å; F1316-I1318 VanDerWaalsContact C-N 3.32Å; F1316-I1318 PolarHBondContact O-N 3.2Å; F1316-L1319 HydrophobicContact CD2-CD2 4.43Å; F1316-L1319 WeakPolarHBondContact O-CB 3.37Å; F1316-L1319 PolarHBondContact O-N 2.92Å; F1316-K1320 HydrophobicContact CD1-CD 4Å; F1316-K1320 HydrophobicContact CD1-CG 4.49Å; F1316-K1320 HydrophobicContact CE1-CD 4.1Å; F1316-K1320 HydrophobicContact CE1-CG 4.18Å; F1316-K1320 HydrophobicContact CZ-CD 4.07Å; F1316-K1320 HydrophobicContact CZ-CG 4.16Å; F1316-K1320 VanDerWaalsContact O-CB 3.23Å; F1316-K1320 WeakPolarHBondContact O-CB 3.36Å; F1316-K1320 PolarHBondContact O-N 3.05Å |
| 1317 | S | 67.3 | Low | 64.2 | Low | 34 Ų | 34 | 44.5 Ų | 44.5 | 24% | 0.238 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 174 | -99.1 | 0 | 0 | 0 | 0 | 111.9 | H1313 H1314 R1315 L1319 K1320 L1321 | H1313-S1317 VanDerWaalsContact O-CB 3.31Å; H1313-S1317 WeakPolarHBondContact O-CB 3.33Å; H1313-S1317 PolarHBondContact O-N 3.11Å; H1313-S1317 PolarHBondContact O-OG 3.18Å; H1313-S1317 VanDerWaalsContact O-OG 3.1Å; H1314-S1317 WeakPolarHBondContact O-CB 3.36Å; H1314-S1317 PolarHBondContact O-N 3.11Å; H1314-S1317 VanDerWaalsContact O-N 3.16Å; R1315-S1317 VanDerWaalsContact C-N 3.31Å; R1315-S1317 PolarHBondContact O-N 3.31Å; S1317-L1319 VanDerWaalsContact C-N 3.3Å; S1317-L1319 PolarHBondContact O-N 2.93Å; S1317-K1320 PolarHBondContact O-N 3.29Å; S1317-L1321 VanDerWaalsContact O-CB 3.25Å; S1317-L1321 WeakPolarHBondContact O-CB 3.38Å; S1317-L1321 PolarHBondContact O-N 3.04Å |
| 1318 | I | 64.7 | Low | 64.9 | Low | 68.2 Ų | 68.2 | 44.5 Ų | 44.5 | 35% | 0.35 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 173.9 | -68.3 | 166.6 | 0 | 0 | 0 | 111.1 | W1083 H1314 R1315 F1316 K1320 L1321 N1322 | W1083-I1318 HydrophobicContact CH2-CG2 4.15Å; W1083-I1318 HydrophobicContact CZ3-CG2 4.24Å; H1314-I1318 VanDerWaalsContact NE2-CD1 3.32Å; H1314-I1318 WeakPolarHBondContact NE2-CD1 3.39Å; H1314-I1318 WeakPolarHBondContact O-CB 3.13Å; H1314-I1318 VanDerWaalsContact O-CG1 3.29Å; H1314-I1318 WeakPolarHBondContact O-CG1 3.25Å; H1314-I1318 PolarHBondContact O-N 2.97Å; R1315-I1318 PolarHBondContact O-N 3.05Å; F1316-I1318 VanDerWaalsContact C-N 3.32Å; F1316-I1318 PolarHBondContact O-N 3.2Å; I1318-K1320 VanDerWaalsContact C-N 3.29Å; I1318-K1320 PolarHBondContact O-N 2.98Å; I1318-L1321 WeakPolarHBondContact O-CB 3.29Å; I1318-L1321 PolarHBondContact O-N 3.02Å; I1318-N1322 VanDerWaalsContact O-CB 3.22Å; I1318-N1322 WeakPolarHBondContact O-CB 3.41Å; I1318-N1322 VanDerWaalsContact O-CG 3.29Å; I1318-N1322 PolarHBondContact O-N 3.16Å; I1318-N1322 PolarHBondContact O-ND2 3.17Å; I1318-N1322 VanDerWaalsContact O-ND2 3.17Å |
| 1319 | L | 66 | Low | 65.3 | Low | 60.6 Ų | 60.6 | 43 Ų | 43 | 32% | 0.317 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 178.1 | -163 | 152 | 0 | 0 | 0 | 111.1 | L1089 W1112 I1114 R1315 F1316 S1317 N1322 H1323 | L1089-L1319 HydrophobicContact CD1-CD1 4Å; W1112-L1319 HydrophobicContact CE3-CD1 4.15Å; W1112-L1319 HydrophobicContact CE3-CD2 4.19Å; W1112-L1319 HydrophobicContact CE3-CG 4.09Å; W1112-L1319 HydrophobicContact CH2-CD1 3.72Å; W1112-L1319 HydrophobicContact CH2-CG 4.1Å; W1112-L1319 HydrophobicContact CZ2-CD1 4.35Å; W1112-L1319 HydrophobicContact CZ3-CD1 3.93Å; W1112-L1319 HydrophobicContact CZ3-CD2 4.17Å; W1112-L1319 HydrophobicContact CZ3-CG 3.55Å; I1114-L1319 HydrophobicContact CD1-CD2 4.1Å; R1315-L1319 VanDerWaalsContact O-CB 3.27Å; R1315-L1319 WeakPolarHBondContact O-CB 3.38Å; R1315-L1319 WeakPolarHBondContact O-CG 3.49Å; R1315-L1319 PolarHBondContact O-N 3Å; F1316-L1319 HydrophobicContact CD2-CD2 4.43Å; F1316-L1319 WeakPolarHBondContact O-CB 3.37Å; F1316-L1319 PolarHBondContact O-N 2.92Å; S1317-L1319 VanDerWaalsContact C-N 3.3Å; S1317-L1319 PolarHBondContact O-N 2.93Å; L1319-N1322 WeakPolarHBondContact O-CB 3.5Å; L1319-N1322 PolarHBondContact O-N 3.13Å; L1319-H1323 VanDerWaalsContact O-CB 3.31Å; L1319-H1323 WeakPolarHBondContact O-CB 3.37Å; L1319-H1323 PolarHBondContact O-N 3.1Å |
| 1320 | K | 69.6 | Low | 65.1 | Low | 12.8 Ų | 12.8 | 44 Ų | 44 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 176.4 | -162.9 | 177 | 174.2 | -178.5 | 0 | 112.2 | D1060 P1222 F1316 S1317 I1318 N1322 H1323 L1324 | D1060-K1320 VanDerWaalsContact C-NZ 3.34Å; D1060-K1320 VanDerWaalsContact CB-NZ 3.32Å; D1060-K1320 WeakPolarHBondContact O-CE 3.3Å; D1060-K1320 PolarHBondContact O-NZ 3.21Å; D1060-K1320 VanDerWaalsContact O-NZ 3.13Å; D1060-K1320 IonicContact OD1-NZ 3.99Å; D1060-K1320 WeakPolarHBondContact OD2-CE 3.48Å; D1060-K1320 IonicContact OD2-NZ 3.49Å; D1060-K1320 PolarHBondContact OD2-NZ 3.11Å; P1222-K1320 HydrophobicContact CB-CD 4.33Å; P1222-K1320 HydrophobicContact CB-CG 4.5Å; F1316-K1320 HydrophobicContact CD1-CD 4Å; F1316-K1320 HydrophobicContact CD1-CG 4.49Å; F1316-K1320 HydrophobicContact CE1-CD 4.1Å; F1316-K1320 HydrophobicContact CE1-CG 4.18Å; F1316-K1320 HydrophobicContact CZ-CD 4.07Å; F1316-K1320 HydrophobicContact CZ-CG 4.16Å; F1316-K1320 VanDerWaalsContact O-CB 3.23Å; F1316-K1320 WeakPolarHBondContact O-CB 3.36Å; F1316-K1320 PolarHBondContact O-N 3.05Å; S1317-K1320 PolarHBondContact O-N 3.29Å; I1318-K1320 VanDerWaalsContact C-N 3.29Å; I1318-K1320 PolarHBondContact O-N 2.98Å; K1320-N1322 VanDerWaalsContact C-N 3.31Å; K1320-N1322 PolarHBondContact O-N 3.14Å; K1320-H1323 CarbonylContact O-C 3.56Å; K1320-H1323 WeakPolarHBondContact O-CB 3.37Å; K1320-H1323 PolarHBondContact O-N 2.96Å; K1320-H1323 VanDerWaalsContact O-N 3.15Å; K1320-L1324 HydrophobicContact CG-CD1 4.26Å; K1320-L1324 WeakPolarHBondContact O-CB 3.4Å; K1320-L1324 VanDerWaalsContact O-CG 3.3Å; K1320-L1324 WeakPolarHBondContact O-CG 3.39Å; K1320-L1324 PolarHBondContact O-N 3Å |
| 1321 | L | 70.6 | Confident | 64.8 | Low | 32.4 Ų | 32.4 | 46.5 Ų | 46.5 | 17% | 0.17 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.3 | -47.4 | 172.8 | 177.5 | 97.4 | 0 | 0 | 0 | 110.9 | L1221 P1222 S1317 I1318 H1323 L1324 R1325 | L1221-L1321 HydrophobicContact CD2-CD1 3.9Å; P1222-L1321 HydrophobicContact CG-CB 4.13Å; P1222-L1321 HydrophobicContact CG-CD1 3.95Å; P1222-L1321 HydrophobicContact CG-CG 4.17Å; S1317-L1321 VanDerWaalsContact O-CB 3.25Å; S1317-L1321 WeakPolarHBondContact O-CB 3.38Å; S1317-L1321 PolarHBondContact O-N 3.04Å; I1318-L1321 WeakPolarHBondContact O-CB 3.29Å; I1318-L1321 PolarHBondContact O-N 3.02Å; L1321-H1323 VanDerWaalsContact C-N 3.32Å; L1321-H1323 PolarHBondContact O-N 3.05Å; L1321-L1324 PolarHBondContact O-N 3.36Å; L1321-R1325 HydrophobicContact CD1-CG 4.39Å; L1321-R1325 VanDerWaalsContact O-CB 3.27Å; L1321-R1325 WeakPolarHBondContact O-CB 3.21Å; L1321-R1325 VanDerWaalsContact O-CG 3.28Å; L1321-R1325 WeakPolarHBondContact O-CG 3.31Å; L1321-R1325 PolarHBondContact O-N 3.22Å |
| 1322 | N | 66.3 | Low | 64.5 | Low | 47.8 Ų | 47.8 | 44.4 Ų | 44.4 | 26% | 0.256 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65 | -38.3 | 177.6 | -72 | -20.3 | 0 | 0 | 0 | 112 | W1083 I1318 L1319 K1320 R1325 K1326 M1329 | W1083-N1322 WeakPolarHBondContact CH2-ND2 3.19Å; W1083-N1322 WeakPolarHBondContact CZ2-ND2 3.39Å; I1318-N1322 VanDerWaalsContact O-CB 3.22Å; I1318-N1322 WeakPolarHBondContact O-CB 3.41Å; I1318-N1322 VanDerWaalsContact O-CG 3.29Å; I1318-N1322 PolarHBondContact O-N 3.16Å; I1318-N1322 PolarHBondContact O-ND2 3.17Å; I1318-N1322 VanDerWaalsContact O-ND2 3.17Å; L1319-N1322 WeakPolarHBondContact O-CB 3.5Å; L1319-N1322 PolarHBondContact O-N 3.13Å; K1320-N1322 VanDerWaalsContact C-N 3.31Å; K1320-N1322 PolarHBondContact O-N 3.14Å; N1322-R1325 PolarHBondContact O-N 3.49Å; N1322-K1326 WeakPolarHBondContact O-CA 3.49Å; N1322-K1326 WeakPolarHBondContact O-CB 3.44Å; N1322-K1326 PolarHBondContact O-N 2.91Å; N1322-M1329 HydrophobicContact CB-CE 4.14Å; N1322-M1329 VanDerWaalsContact O-CE 3.31Å; N1322-M1329 WeakPolarHBondContact O-CE 3.39Å |
| 1323 | H | 69.4 | Low | 64 | Low | 36.2 Ų | 36.2 | 46.2 Ų | 46.2 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -45.9 | 177.6 | -170.7 | 36.6 | 0 | 0 | 0 | 112.2 | W1112 I1114 Y1116 L1319 K1320 L1321 R1325 K1326 | W1112-H1323 PolarHBondContact O-CE1 3.39Å; I1114-H1323 HydrophobicContact CD1-CB 4.46Å; Y1116-H1323 AromaticContact CE1-CD2 3.91Å; Y1116-H1323 AromaticContact CE1-NE2 3.83Å; Y1116-H1323 AromaticContact CZ-CD2 3.9Å; Y1116-H1323 AromaticContact CZ-CE1 4Å; Y1116-H1323 AromaticContact CZ-ND1 3.69Å; Y1116-H1323 AromaticContact CZ-NE2 3.48Å; Y1116-H1323 PolarHBondContact OH-CD2 3.12Å; Y1116-H1323 PolarHBondContact OH-CE1 3.31Å; Y1116-H1323 PolarHBondContact OH-ND1 3.15Å; Y1116-H1323 PolarHBondContact OH-NE2 2.9Å; L1319-H1323 VanDerWaalsContact O-CB 3.31Å; L1319-H1323 WeakPolarHBondContact O-CB 3.37Å; L1319-H1323 PolarHBondContact O-N 3.1Å; K1320-H1323 CarbonylContact O-C 3.56Å; K1320-H1323 WeakPolarHBondContact O-CB 3.37Å; K1320-H1323 PolarHBondContact O-N 2.96Å; K1320-H1323 VanDerWaalsContact O-N 3.15Å; L1321-H1323 VanDerWaalsContact C-N 3.32Å; L1321-H1323 PolarHBondContact O-N 3.05Å; H1323-R1325 VanDerWaalsContact C-N 3.31Å; H1323-R1325 PolarHBondContact O-N 3.15Å; H1323-K1326 VanDerWaalsContact O-CB 3.29Å; H1323-K1326 WeakPolarHBondContact O-CB 3.36Å; H1323-K1326 PolarHBondContact O-N 3.18Å |
| 1324 | L | 72 | Confident | 63.3 | Low | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -37.4 | 176.2 | -72.3 | 173.5 | 0 | 0 | 0 | 112.3 | P1064 Y1116 N1220 P1222 K1320 L1321 K1326 | P1064-L1324 HydrophobicContact CB-CD2 4.3Å; P1064-L1324 WeakPolarHBondContact CB-O 3.15Å; Y1116-L1324 HydrophobicContact CD1-CD2 4.39Å; Y1116-L1324 HydrophobicContact CE1-CD2 3.82Å; N1220-L1324 HydrophobicContact CB-CB 4.24Å; N1220-L1324 WeakPolarHBondContact CB-O 3.34Å; N1220-L1324 PolarHBondContact ND2-O 3.3Å; N1220-L1324 WeakPolarHBondContact O-CB 3.41Å; P1222-L1324 HydrophobicContact CB-CD1 4.24Å; K1320-L1324 HydrophobicContact CG-CD1 4.26Å; K1320-L1324 WeakPolarHBondContact O-CB 3.4Å; K1320-L1324 VanDerWaalsContact O-CG 3.3Å; K1320-L1324 WeakPolarHBondContact O-CG 3.39Å; K1320-L1324 PolarHBondContact O-N 3Å; L1321-L1324 PolarHBondContact O-N 3.36Å; L1324-K1326 VanDerWaalsContact C-N 3.32Å; L1324-K1326 PolarHBondContact O-N 3.23Å |
| 1325 | R | 72.4 | Confident | 62.9 | Low | 6.2 Ų | 6.2 | 46.1 Ų | 46.1 | 2% | 0.023 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -78.9 | -18.4 | 177.8 | -73.8 | 179.5 | 173.7 | -168.9 | -2.2 | 114 | F1219 N1220 L1321 N1322 H1323 H1327 L1328 M1329 I1350 F1390 | F1219-R1325 VanDerWaalsContact O-CG 3.29Å; F1219-R1325 WeakPolarHBondContact O-CG 3.47Å; F1219-R1325 PolarHBondContact O-NE 3.31Å; F1219-R1325 VanDerWaalsContact O-NE 3.1Å; N1220-R1325 HydrophobicContact CB-CG 4.35Å; L1321-R1325 HydrophobicContact CD1-CG 4.39Å; L1321-R1325 VanDerWaalsContact O-CB 3.27Å; L1321-R1325 WeakPolarHBondContact O-CB 3.21Å; L1321-R1325 VanDerWaalsContact O-CG 3.28Å; L1321-R1325 WeakPolarHBondContact O-CG 3.31Å; L1321-R1325 PolarHBondContact O-N 3.22Å; N1322-R1325 PolarHBondContact O-N 3.49Å; H1323-R1325 VanDerWaalsContact C-N 3.31Å; H1323-R1325 PolarHBondContact O-N 3.15Å; R1325-H1327 PolarHBondContact O-N 3.09Å; R1325-L1328 CarbonylContact O-C 3.48Å; R1325-L1328 WeakPolarHBondContact O-CA 3.39Å; R1325-L1328 PolarHBondContact O-N 3.14Å; R1325-M1329 HydrophobicContact CB-CE 3.47Å; R1325-M1329 VanDerWaalsContact CB-CE 3.44Å; R1325-M1329 HydrophobicContact CB-CG 4.3Å; R1325-M1329 WeakPolarHBondContact O-CG 3.38Å; R1325-M1329 PolarHBondContact O-N 2.96Å; R1325-M1329 VanDerWaalsContact O-N 3.1Å; R1325-I1350 HydrophobicContact CG-CD1 4.36Å; R1325-F1390 VanDerWaalsContact NH1-CD1 3.26Å; R1325-F1390 VanDerWaalsContact NH1-CE1 3.29Å; R1325-F1390 VanDerWaalsContact NH2-CD1 3.31Å |
| 1326 | K | 66.4 | Low | 62.5 | Low | 64.6 Ų | 64.6 | 44.4 Ų | 44.4 | 28% | 0.281 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -37.3 | 178.7 | -176.9 | -178 | 173.4 | -169.4 | 0 | 112.1 | D1111 N1322 H1323 L1324 L1328 M1329 | D1111-K1326 VanDerWaalsContact CG-NZ 3.27Å; D1111-K1326 IonicContact OD1-NZ 3.36Å; D1111-K1326 PolarHBondContact OD1-NZ 3.32Å; D1111-K1326 IonicContact OD2-NZ 3.67Å; D1111-K1326 PolarHBondContact OD2-NZ 2.96Å; N1322-K1326 WeakPolarHBondContact O-CA 3.49Å; N1322-K1326 WeakPolarHBondContact O-CB 3.44Å; N1322-K1326 PolarHBondContact O-N 2.91Å; H1323-K1326 VanDerWaalsContact O-CB 3.29Å; H1323-K1326 WeakPolarHBondContact O-CB 3.36Å; H1323-K1326 PolarHBondContact O-N 3.18Å; L1324-K1326 VanDerWaalsContact C-N 3.32Å; L1324-K1326 PolarHBondContact O-N 3.23Å; K1326-L1328 VanDerWaalsContact C-N 3.28Å; K1326-L1328 PolarHBondContact O-N 3.33Å; K1326-M1329 PolarHBondContact O-N 3.12Å; K1326-M1329 VanDerWaalsContact O-N 3.17Å |
| 1327 | H | 66 | Low | 61.7 | Low | 52.2 Ų | 52.2 | 44.9 Ų | 44.9 | 24% | 0.242 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -24.1 | 178.8 | -61.6 | -82.6 | 0 | 0 | 0 | 114.4 | P1064 R1065 K1067 I1101 Y1116 R1325 | P1064-H1327 HydrophobicContact CB-CB 4.18Å; P1064-H1327 HydrophobicContact CG-CB 4.21Å; P1064-H1327 WeakPolarHBondContact CG-CD2 3.35Å; P1064-H1327 VanDerWaalsContact CG-NE2 3.33Å; P1064-H1327 WeakPolarHBondContact CG-NE2 3.33Å; R1065-H1327 WeakPolarHBondContact O-CB 3.34Å; K1067-H1327 WeakPolarHBondContact CD-O 3.35Å; K1067-H1327 WeakPolarHBondContact CE-O 3.42Å; K1067-H1327 VanDerWaalsContact CG-O 3.25Å; K1067-H1327 WeakPolarHBondContact CG-O 3.45Å; K1067-H1327 PolarHBondContact NZ-O 3.38Å; I1101-H1327 HydrophobicContact CD1-CB 4.26Å; Y1116-H1327 AromaticContact CE2-NE2 3.79Å; Y1116-H1327 AromaticContact CZ-NE2 3.66Å; Y1116-H1327 PolarHBondContact OH-NE2 3.17Å; R1325-H1327 PolarHBondContact O-N 3.09Å |
| 1328 | L | 66.5 | Low | 60.8 | Low | 15.2 Ų | 15.2 | 50.1 Ų | 50.1 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -15.2 | 177.1 | -60.8 | 177.9 | 0 | 0 | 0 | 113 | R1065 K1067 F1219 N1220 R1325 K1326 I1350 | R1065-L1328 HydrophobicContact CB-CD2 4.44Å; K1067-L1328 VanDerWaalsContact CE-C 3.48Å; K1067-L1328 WeakPolarHBondContact CE-O 3.27Å; K1067-L1328 HydrophobicContact CG-CD2 4.47Å; K1067-L1328 VanDerWaalsContact NZ-C 3.33Å; K1067-L1328 PolarHBondContact NZ-O 3.22Å; F1219-L1328 VanDerWaalsContact C-CD1 3.43Å; N1220-L1328 HydrophobicContact CB-CD1 3.97Å; N1220-L1328 HydrophobicContact CB-CG 4.48Å; N1220-L1328 WeakPolarHBondContact ND2-CD1 3.47Å; N1220-L1328 WeakPolarHBondContact ND2-CG 3.22Å; R1325-L1328 CarbonylContact O-C 3.48Å; R1325-L1328 WeakPolarHBondContact O-CA 3.39Å; R1325-L1328 PolarHBondContact O-N 3.14Å; K1326-L1328 VanDerWaalsContact C-N 3.28Å; K1326-L1328 PolarHBondContact O-N 3.33Å; L1328-I1350 HydrophobicContact CB-CD1 4.35Å; L1328-I1350 HydrophobicContact CB-CG1 4.36Å; L1328-I1350 HydrophobicContact CB-CG2 4.25Å; L1328-I1350 HydrophobicContact CD1-CD1 4.33Å |
| 1329 | M | 62.6 | Low | 60 | Low | 33.4 Ų | 33.4 | 49.9 Ų | 49.9 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -72.9 | 154.3 | 179.2 | -69.8 | 175.3 | -172 | 0 | 0 | 111.9 | K1067 N1322 R1325 K1326 S1347 | K1067-M1329 PolarHBondContact NZ-O 3.25Å; K1067-M1329 VanDerWaalsContact NZ-O 3.08Å; N1322-M1329 HydrophobicContact CB-CE 4.14Å; N1322-M1329 VanDerWaalsContact O-CE 3.31Å; N1322-M1329 WeakPolarHBondContact O-CE 3.39Å; R1325-M1329 HydrophobicContact CB-CE 3.47Å; R1325-M1329 VanDerWaalsContact CB-CE 3.44Å; R1325-M1329 HydrophobicContact CB-CG 4.3Å; R1325-M1329 WeakPolarHBondContact O-CG 3.38Å; R1325-M1329 PolarHBondContact O-N 2.96Å; R1325-M1329 VanDerWaalsContact O-N 3.1Å; K1326-M1329 PolarHBondContact O-N 3.12Å; K1326-M1329 VanDerWaalsContact O-N 3.17Å; M1329-S1347 VanDerWaalsContact CE-C 3.46Å; M1329-S1347 VanDerWaalsContact CE-O 3.28Å; M1329-S1347 WeakPolarHBondContact CE-O 3.36Å; M1329-S1347 VanDerWaalsContact SD-CA 3.51Å |
| 1330 | L | 54.8 | Low | 59.1 | Low | 45.6 Ų | 45.6 | 50.3 Ų | 50.3 | 24% | 0.239 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 130.3 | 173.9 | -77.1 | 163.1 | 0 | 0 | 0 | 110.7 | K1067 L1069 I1074 V1098 V1332 I1349 Q1351 | K1067-L1330 VanDerWaalsContact NZ-CG 3.35Å; L1069-L1330 HydrophobicContact CD2-CD2 4.29Å; I1074-L1330 HydrophobicContact CD1-CB 4.19Å; I1074-L1330 HydrophobicContact CD1-CD1 3.81Å; I1074-L1330 HydrophobicContact CD1-CD2 4.03Å; I1074-L1330 HydrophobicContact CD1-CG 4.16Å; I1074-L1330 HydrophobicContact CG1-CD1 4.39Å; V1098-L1330 HydrophobicContact CG1-CD2 3.92Å; V1098-L1330 HydrophobicContact CG2-CD2 4.4Å; L1330-V1332 HydrophobicContact CB-CG2 4.33Å; L1330-V1332 PolarHBondContact O-N 2.79Å; L1330-I1349 HydrophobicContact CD1-CB 4.42Å; L1330-I1349 HydrophobicContact CD1-CG2 3.73Å; L1330-Q1351 HydrophobicContact CD1-CB 4.28Å; L1330-Q1351 HydrophobicContact CD1-CG 4.24Å; L1330-Q1351 VanDerWaalsContact CD1-OE1 3.28Å; L1330-Q1351 HydrophobicContact CD2-CB 4.06Å; L1330-Q1351 HydrophobicContact CD2-CG 4.22Å; L1330-Q1351 HydrophobicContact CG-CB 4.21Å; L1330-Q1351 HydrophobicContact CG-CG 4.09Å |
| 1331 | T | 54.5 | Low | 57.8 | Low | 57.2 Ų | 57.2 | 52.6 Ų | 52.6 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | trans | -95.4 | 113.2 | 162 | 42.2 | 0 | 0 | 0 | 0 | 109.1 | I1099 L1104 K1333 L1339 S1341 | I1099-T1331 PolarHBondContact N-O 3.27Å; I1099-T1331 VanDerWaalsContact N-O 3.15Å; I1099-T1331 PolarHBondContact O-OG1 2.93Å; I1099-T1331 VanDerWaalsContact O-OG1 3.05Å; L1104-T1331 HydrophobicContact CD1-CG2 3.79Å; L1104-T1331 VanDerWaalsContact CD1-CG2 3.49Å; L1104-T1331 VanDerWaalsContact CD1-OG1 3.3Å; L1104-T1331 WeakPolarHBondContact CD1-OG1 3.4Å; L1104-T1331 HydrophobicContact CD2-CG2 4.17Å; T1331-K1333 PolarHBondContact O-N 3.37Å; T1331-L1339 HydrophobicContact CG2-CD2 4.09Å; T1331-S1341 WeakPolarHBondContact CA-OG 3.41Å; T1331-S1341 WeakPolarHBondContact CG2-OG 3.37Å | ||
| 1332 | V | 50.8 | Low | 56.4 | Low | 32.6 Ų | 32.6 | 56.9 Ų | 56.9 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.8 | -176.3 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | I1074 V1076 Y1096 L1330 I1340 S1341 | I1074-V1332 HydrophobicContact CD1-CG2 4.04Å; V1076-V1332 HydrophobicContact CG2-CG1 3.09Å; Y1096-V1332 HydrophobicContact CD1-CG1 3.31Å; Y1096-V1332 HydrophobicContact CE1-CG1 4.39Å; Y1096-V1332 HydrophobicContact CG-CG1 3.49Å; Y1096-V1332 VanDerWaalsContact CG-CG1 3.49Å; L1330-V1332 HydrophobicContact CB-CG2 4.33Å; L1330-V1332 PolarHBondContact O-N 2.79Å; V1332-I1340 HydrophobicContact CB-CD1 4.24Å; V1332-I1340 HydrophobicContact CG1-CD1 4.07Å; V1332-I1340 PolarHBondContact O-N 3.1Å; V1332-I1340 VanDerWaalsContact O-N 3.13Å; V1332-S1341 PolarHBondContact N-OG 2.95Å |
| 1333 | K | 49.9 | Very low | 55.1 | Low | 78.2 Ų | 78.2 | 57.6 Ų | 57.6 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -94.9 | 135 | 166 | -81.8 | 172.6 | -174.2 | 170.5 | 0 | 108.8 | E1073 V1076 N1097 I1099 T1331 G1337 K1338 L1339 | E1073-K1333 IonicContact OE1-NZ 3.19Å; E1073-K1333 PolarHBondContact OE1-NZ 3.06Å; E1073-K1333 IonicContact OE2-NZ 3.66Å; E1073-K1333 PolarHBondContact OE2-NZ 2.91Å; V1076-K1333 WeakPolarHBondContact CG2-O 3.15Å; V1076-K1333 PolarHBondContact N-O 3.15Å; N1097-K1333 PolarHBondContact N-O 3.13Å; N1097-K1333 VanDerWaalsContact N-O 3.09Å; N1097-K1333 PolarHBondContact O-N 3.25Å; I1099-K1333 HydrophobicContact CD1-CB 4Å; I1099-K1333 HydrophobicContact CD1-CD 3.67Å; I1099-K1333 HydrophobicContact CD1-CG 3.45Å; I1099-K1333 HydrophobicContact CG1-CB 3.98Å; I1099-K1333 HydrophobicContact CG1-CD 3.83Å; I1099-K1333 HydrophobicContact CG1-CG 3.87Å; T1331-K1333 PolarHBondContact O-N 3.37Å; K1333-G1337 WeakPolarHBondContact CD-O 3.33Å; K1333-K1338 CarbonylContact C-O 3.6Å; K1333-K1338 VanDerWaalsContact CA-O 3.23Å; K1333-K1338 WeakPolarHBondContact CA-O 3.3Å; K1333-L1339 HydrophobicContact CG-CD2 3.81Å; K1333-L1339 HydrophobicContact CG-CG 4.11Å |
| 1334 | S | 50.3 | Low | 53.7 | Low | 23 Ų | 23 | 61.7 Ų | 61.7 | 16% | 0.161 | 35% | 0.347 | C | S | . | . | trans | -63.6 | 164 | 166.4 | 70.5 | 0 | 0 | 0 | 0 | 110.6 | E1094 A1336 G1337 K1338 | E1094-S1334 WeakPolarHBondContact OE1-CB 3.19Å; S1334-A1336 PolarHBondContact O-N 3.21Å; S1334-A1336 VanDerWaalsContact O-N 3.12Å; S1334-A1336 PolarHBondContact OG-N 3.26Å; S1334-G1337 PolarHBondContact O-N 3.17Å; S1334-K1338 WeakPolarHBondContact CB-O 3.46Å; S1334-K1338 PolarHBondContact N-O 3.13Å; S1334-K1338 PolarHBondContact OG-N 3.02Å; S1334-K1338 VanDerWaalsContact OG-N 3.13Å; S1334-K1338 PolarHBondContact OG-O 2.91Å | ||
| 1335 | S | 52.9 | Low | 52.1 | Low | 111.2 Ų | 111.2 | 64.2 Ų | 64.2 | 78% | 0.778 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -27.2 | 172.6 | 55 | 0 | 0 | 0 | 0 | 112.9 | E1094 V1095 G1337 | E1094-S1335 PolarHBondContact OE1-N 3.48Å; E1094-S1335 VanDerWaalsContact OE1-N 3.11Å; E1094-S1335 PolarHBondContact OE1-OG 2.9Å; V1095-S1335 PolarHBondContact O-N 3.24Å; S1335-G1337 VanDerWaalsContact C-N 3.27Å; S1335-G1337 PolarHBondContact O-N 3.01Å |
| 1336 | A | 52.8 | Low | 50.5 | Low | 79.6 Ų | 79.6 | 66.5 Ų | 66.5 | 66% | 0.658 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 9.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1334 K1338 | S1334-A1336 PolarHBondContact O-N 3.21Å; S1334-A1336 VanDerWaalsContact O-N 3.12Å; S1334-A1336 PolarHBondContact OG-N 3.26Å; A1336-K1338 VanDerWaalsContact C-N 3.29Å; A1336-K1338 PolarHBondContact O-N 3.05Å |
| 1337 | G | 49.8 | Very low | 49.5 | Very low | 49.6 Ų | 49.6 | 64.9 Ų | 64.9 | 51% | 0.511 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 76.5 | -0 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K1333 S1334 S1335 L1339 | K1333-G1337 WeakPolarHBondContact CD-O 3.33Å; S1334-G1337 PolarHBondContact O-N 3.17Å; S1335-G1337 VanDerWaalsContact C-N 3.27Å; S1335-G1337 PolarHBondContact O-N 3.01Å; G1337-L1339 PolarHBondContact O-N 2.83Å |
| 1338 | K | 47.9 | Very low | 48.9 | Very low | 144.2 Ų | 144.2 | 64.3 Ų | 64.3 | 63% | 0.627 | 38% | 0.382 | S | S | * | . | trans | -78.2 | 131.9 | 176.4 | -69.6 | -176.2 | 178.4 | 179.7 | 0 | 110.5 | V1098 K1333 S1334 A1336 I1340 | V1098-K1338 HydrophobicContact CG2-CD 4.32Å; K1333-K1338 CarbonylContact C-O 3.6Å; K1333-K1338 VanDerWaalsContact CA-O 3.23Å; K1333-K1338 WeakPolarHBondContact CA-O 3.3Å; S1334-K1338 WeakPolarHBondContact CB-O 3.46Å; S1334-K1338 PolarHBondContact N-O 3.13Å; S1334-K1338 PolarHBondContact OG-N 3.02Å; S1334-K1338 VanDerWaalsContact OG-N 3.13Å; S1334-K1338 PolarHBondContact OG-O 2.91Å; A1336-K1338 VanDerWaalsContact C-N 3.29Å; A1336-K1338 PolarHBondContact O-N 3.05Å; K1338-I1340 PolarHBondContact O-N 3.31Å | ||
| 1339 | L | 48 | Very low | 48.5 | Very low | 63.2 Ų | 63.2 | 64.8 Ų | 64.8 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 122 | 172.2 | -100.5 | 137.8 | 0 | 0 | 0 | 109.3 | F1080 I1099 I1101 L1104 T1331 K1333 G1337 S1341 | F1080-L1339 HydrophobicContact CD2-CD2 4.48Å; F1080-L1339 HydrophobicContact CE2-CD2 3.73Å; F1080-L1339 HydrophobicContact CZ-CD2 4.27Å; I1099-L1339 HydrophobicContact CD1-CD1 4.13Å; I1099-L1339 HydrophobicContact CD1-CD2 3.43Å; I1099-L1339 VanDerWaalsContact CD1-CD2 3.43Å; I1099-L1339 HydrophobicContact CD1-CG 3.98Å; I1101-L1339 HydrophobicContact CD1-CD1 3.99Å; I1101-L1339 HydrophobicContact CG1-CD1 3.8Å; L1104-L1339 HydrophobicContact CD1-CD2 4.34Å; L1104-L1339 HydrophobicContact CG-CD1 4.5Å; T1331-L1339 HydrophobicContact CG2-CD2 4.09Å; K1333-L1339 HydrophobicContact CG-CD2 3.81Å; K1333-L1339 HydrophobicContact CG-CG 4.11Å; G1337-L1339 PolarHBondContact O-N 2.83Å; L1339-S1341 PolarHBondContact O-N 3.11Å |
| 1340 | I | 47 | Very low | 48.6 | Very low | 68.6 Ų | 68.6 | 63.4 Ų | 63.4 | 35% | 0.352 | 38% | 0.377 | S | S | . | . | trans | -81.4 | 105.5 | 173.9 | -58.8 | 175.1 | 0 | 0 | 0 | 107.7 | I1090 Y1096 V1332 K1338 R1342 I1344 | I1090-I1340 HydrophobicContact CG1-CG2 4.27Å; Y1096-I1340 HydrophobicContact CD1-CD1 3.86Å; Y1096-I1340 HydrophobicContact CE1-CD1 3.41Å; V1332-I1340 HydrophobicContact CB-CD1 4.24Å; V1332-I1340 HydrophobicContact CG1-CD1 4.07Å; V1332-I1340 PolarHBondContact O-N 3.1Å; V1332-I1340 VanDerWaalsContact O-N 3.13Å; K1338-I1340 PolarHBondContact O-N 3.31Å; I1340-R1342 PolarHBondContact O-N 3.01Å; I1340-R1342 VanDerWaalsContact O-N 3.15Å; I1340-I1344 HydrophobicContact CG2-CD1 3.35Å; I1340-I1344 HydrophobicContact CG2-CG1 4.35Å | ||
| 1341 | S | 43 | Very low | 49 | Very low | 60.8 Ų | 60.8 | 64 Ų | 64 | 43% | 0.425 | 38% | 0.379 | S | S | . | . | trans | -66.7 | 121.6 | 179.9 | 70.8 | 0 | 0 | 0 | 0 | 111 | T1331 V1332 L1339 S1343 I1344 | T1331-S1341 WeakPolarHBondContact CA-OG 3.41Å; T1331-S1341 WeakPolarHBondContact CG2-OG 3.37Å; V1332-S1341 PolarHBondContact N-OG 2.95Å; L1339-S1341 PolarHBondContact O-N 3.11Å; S1341-S1343 WeakPolarHBondContact CB-OG 3.01Å; S1341-S1343 PolarHBondContact O-N 3.12Å; S1341-S1343 VanDerWaalsContact O-N 3.16Å; S1341-S1343 PolarHBondContact OG-OG 3Å; S1341-I1344 PolarHBondContact O-N 3.22Å; S1341-I1344 VanDerWaalsContact O-N 3.11Å | ||
| 1342 | R | 42.1 | Very low | 49.6 | Very low | 124.4 Ų | 124.4 | 63.6 Ų | 63.6 | 47% | 0.469 | 38% | 0.377 | S | S | . | . | trans | -73 | 63.2 | 172.8 | -69 | -175.3 | 179 | 163.3 | 0.4 | 112.3 | S1107 I1340 I1344 C1346 | S1107-R1342 PolarHBondContact OG-NH2 3.39Å; I1340-R1342 PolarHBondContact O-N 3.01Å; I1340-R1342 VanDerWaalsContact O-N 3.15Å; R1342-I1344 CarbonylContact O-C 3.58Å; R1342-I1344 PolarHBondContact O-N 2.89Å; R1342-I1344 VanDerWaalsContact O-N 3.15Å; R1342-C1346 HydrophobicContact CB-CB 3.67Å; R1342-C1346 HydrophobicContact CG-CB 4.31Å | ||
| 1343 | S | 38.8 | Very low | 50.7 | Low | 60.6 Ų | 60.6 | 63.7 Ų | 63.7 | 42% | 0.424 | 38% | 0.379 | S | S | . | . | trans | -66.4 | 130.8 | 170.6 | 71.3 | 0 | 0 | 0 | 0 | 110.5 | S1341 A1345 C1346 S1347 | S1341-S1343 WeakPolarHBondContact CB-OG 3.01Å; S1341-S1343 PolarHBondContact O-N 3.12Å; S1341-S1343 VanDerWaalsContact O-N 3.16Å; S1341-S1343 PolarHBondContact OG-OG 3Å; S1343-A1345 PolarHBondContact O-N 2.99Å; S1343-C1346 WeakPolarHBondContact O-CB 3.33Å; S1343-C1346 PolarHBondContact O-N 3.05Å; S1343-C1346 PolarHBondContact OG-SG 3.44Å; S1343-S1347 PolarHBondContact O-N 3.36Å | ||
| 1344 | I | 39.3 | Very low | 52 | Low | 123.6 Ų | 123.6 | 66.3 Ų | 66.3 | 63% | 0.634 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -54.5 | -13.8 | 174.8 | -63.9 | 167.2 | 0 | 0 | 0 | 111 | L1086 I1269 I1340 S1341 R1342 C1346 S1347 | L1086-I1344 HydrophobicContact CD1-CG2 4.16Å; L1086-I1344 HydrophobicContact CD2-CD1 4.47Å; L1086-I1344 HydrophobicContact CD2-CG2 4.16Å; I1269-I1344 HydrophobicContact CD1-CD1 4.48Å; I1340-I1344 HydrophobicContact CG2-CD1 3.35Å; I1340-I1344 HydrophobicContact CG2-CG1 4.35Å; S1341-I1344 PolarHBondContact O-N 3.22Å; S1341-I1344 VanDerWaalsContact O-N 3.11Å; R1342-I1344 CarbonylContact O-C 3.58Å; R1342-I1344 PolarHBondContact O-N 2.89Å; R1342-I1344 VanDerWaalsContact O-N 3.15Å; I1344-C1346 VanDerWaalsContact C-N 3.32Å; I1344-C1346 PolarHBondContact O-N 3.39Å; I1344-S1347 WeakPolarHBondContact O-CB 3.45Å; I1344-S1347 PolarHBondContact O-N 3.14Å; I1344-S1347 VanDerWaalsContact O-N 3.15Å; I1344-S1347 PolarHBondContact O-OG 3.39Å |
| 1345 | A | 37.9 | Very low | 53.6 | Low | 54.6 Ų | 54.6 | 67.1 Ų | 67.1 | 45% | 0.451 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -65.8 | -27.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | W1083 S1343 S1347 T1348 | W1083-A1345 HydrophobicContact CD2-CB 4.1Å; W1083-A1345 HydrophobicContact CE3-CB 3.79Å; W1083-A1345 HydrophobicContact CH2-CB 3.1Å; W1083-A1345 HydrophobicContact CZ2-CB 3.42Å; W1083-A1345 VanDerWaalsContact CZ2-CB 3.42Å; W1083-A1345 HydrophobicContact CZ3-CB 3.29Å; S1343-A1345 PolarHBondContact O-N 2.99Å; A1345-S1347 VanDerWaalsContact C-N 3.29Å; A1345-S1347 PolarHBondContact O-N 3.25Å; A1345-T1348 PolarHBondContact O-OG1 2.85Å; A1345-T1348 VanDerWaalsContact O-OG1 3.08Å |
| 1346 | C | 39.4 | Very low | 55 | Low | 54.4 Ų | 54.4 | 62 Ų | 62 | 37% | 0.368 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -73.8 | -4.8 | 175.2 | -62.2 | 0 | 0 | 0 | 0 | 114.2 | L1086 R1342 S1343 I1344 T1348 I1349 | L1086-C1346 WeakPolarHBondContact CD1-SG 3.29Å; L1086-C1346 VanDerWaalsContact CD2-SG 3.57Å; R1342-C1346 HydrophobicContact CB-CB 3.67Å; R1342-C1346 HydrophobicContact CG-CB 4.31Å; S1343-C1346 WeakPolarHBondContact O-CB 3.33Å; S1343-C1346 PolarHBondContact O-N 3.05Å; S1343-C1346 PolarHBondContact OG-SG 3.44Å; I1344-C1346 VanDerWaalsContact C-N 3.32Å; I1344-C1346 PolarHBondContact O-N 3.39Å; C1346-T1348 PolarHBondContact O-N 3.03Å; C1346-I1349 HydrophobicContact CB-CD1 4.05Å; C1346-I1349 PolarHBondContact O-N 3.04Å |
| 1347 | S | 45.9 | Very low | 56.3 | Low | 30.4 Ų | 30.4 | 59.4 Ų | 59.4 | 21% | 0.213 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -68.9 | 8.4 | -176.9 | 70.4 | 0 | 0 | 0 | 0 | 113.5 | M1329 S1343 I1344 A1345 I1349 | M1329-S1347 VanDerWaalsContact CE-C 3.46Å; M1329-S1347 VanDerWaalsContact CE-O 3.28Å; M1329-S1347 WeakPolarHBondContact CE-O 3.36Å; M1329-S1347 VanDerWaalsContact SD-CA 3.51Å; S1343-S1347 PolarHBondContact O-N 3.36Å; I1344-S1347 WeakPolarHBondContact O-CB 3.45Å; I1344-S1347 PolarHBondContact O-N 3.14Å; I1344-S1347 VanDerWaalsContact O-N 3.15Å; I1344-S1347 PolarHBondContact O-OG 3.39Å; A1345-S1347 VanDerWaalsContact C-N 3.29Å; A1345-S1347 PolarHBondContact O-N 3.25Å; S1347-I1349 PolarHBondContact O-N 3.08Å |
| 1348 | T | 51.8 | Low | 58 | Low | 39 Ų | 39 | 61.5 Ų | 61.5 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -94.2 | -2.3 | 179.3 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | A1345 C1346 I1350 R1480 | A1345-T1348 PolarHBondContact O-OG1 2.85Å; A1345-T1348 VanDerWaalsContact O-OG1 3.08Å; C1346-T1348 PolarHBondContact O-N 3.03Å; T1348-I1350 PolarHBondContact O-N 2.66Å; T1348-R1480 PolarHBondContact OG1-NH1 3.29Å |
| 1349 | I | 58.2 | Low | 60 | Low | 26.8 Ų | 26.8 | 54.6 Ų | 54.6 | 14% | 0.137 | 30% | 0.302 | C | S | . | . | trans | -88.6 | 118.3 | -168.6 | -57.8 | 174.6 | 0 | 0 | 0 | 110.4 | F1080 W1083 L1330 C1346 S1347 F1390 P1392 | F1080-I1349 HydrophobicContact CE2-CG2 3.79Å; F1080-I1349 HydrophobicContact CZ-CG2 4.18Å; W1083-I1349 HydrophobicContact CB-CD1 4.14Å; W1083-I1349 HydrophobicContact CD2-CD1 3.4Å; W1083-I1349 VanDerWaalsContact CD2-CD1 3.4Å; W1083-I1349 HydrophobicContact CD2-CG1 4.35Å; W1083-I1349 HydrophobicContact CE3-CD1 3.88Å; W1083-I1349 HydrophobicContact CG-CD1 3.9Å; W1083-I1349 VanDerWaalsContact CG-CD1 3.49Å; W1083-I1349 HydrophobicContact CZ2-CD1 4.39Å; L1330-I1349 HydrophobicContact CD1-CB 4.42Å; L1330-I1349 HydrophobicContact CD1-CG2 3.73Å; C1346-I1349 HydrophobicContact CB-CD1 4.05Å; C1346-I1349 PolarHBondContact O-N 3.04Å; S1347-I1349 PolarHBondContact O-N 3.08Å; I1349-F1390 WeakPolarHBondContact CA-O 2.97Å; I1349-P1392 HydrophobicContact CB-CG 4.2Å; I1349-P1392 HydrophobicContact CD1-CG 4.37Å; I1349-P1392 HydrophobicContact CG1-CG 4.27Å; I1349-P1392 HydrophobicContact CG2-CG 3.55Å | ||
| 1350 | I | 65 | Low | 61.7 | Low | 4.2 Ų | 4.2 | 51.7 Ų | 51.7 | 2% | 0.022 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -109.2 | 141.1 | 178.4 | -62.9 | 171.1 | 0 | 0 | 0 | 108.6 | F1219 R1325 L1328 T1348 I1356 F1390 V1391 P1392 | F1219-I1350 HydrophobicContact CD1-CD1 3.62Å; F1219-I1350 VanDerWaalsContact CD1-CD1 3.48Å; F1219-I1350 HydrophobicContact CE1-CB 4.44Å; F1219-I1350 HydrophobicContact CE1-CD1 4.23Å; F1219-I1350 HydrophobicContact CE1-CG2 4.43Å; R1325-I1350 HydrophobicContact CG-CD1 4.36Å; L1328-I1350 HydrophobicContact CB-CD1 4.35Å; L1328-I1350 HydrophobicContact CB-CG1 4.36Å; L1328-I1350 HydrophobicContact CB-CG2 4.25Å; L1328-I1350 HydrophobicContact CD1-CD1 4.33Å; T1348-I1350 PolarHBondContact O-N 2.66Å; I1350-I1356 HydrophobicContact CG2-CD1 3.94Å; I1350-F1390 HydrophobicContact CD1-CB 4.42Å; I1350-F1390 PolarHBondContact N-O 3.05Å; I1350-F1390 VanDerWaalsContact N-O 3.14Å; I1350-V1391 HydrophobicContact CB-CG2 4.25Å; I1350-V1391 HydrophobicContact CG2-CG2 4.44Å; I1350-V1391 WeakPolarHBondContact O-CG1 3.25Å; I1350-P1392 VanDerWaalsContact O-CD 3.31Å; I1350-P1392 WeakPolarHBondContact O-CD 3.35Å |
| 1351 | Q | 62.9 | Low | 63.5 | Low | 57.2 Ų | 57.2 | 51.4 Ų | 51.4 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | trans | -75.1 | 144 | 176.4 | -156.5 | 179.2 | -3.7 | 0 | 0 | 110.8 | L1330 S1353 I1356 | L1330-Q1351 HydrophobicContact CD1-CB 4.28Å; L1330-Q1351 HydrophobicContact CD1-CG 4.24Å; L1330-Q1351 VanDerWaalsContact CD1-OE1 3.28Å; L1330-Q1351 HydrophobicContact CD2-CB 4.06Å; L1330-Q1351 HydrophobicContact CD2-CG 4.22Å; L1330-Q1351 HydrophobicContact CG-CB 4.21Å; L1330-Q1351 HydrophobicContact CG-CG 4.09Å; Q1351-S1353 PolarHBondContact O-N 3.3Å; Q1351-I1356 WeakPolarHBondContact O-CD1 3.33Å | ||
| 1352 | P | 67.4 | Low | 65.5 | Low | 49.2 Ų | 49.2 | 48.7 Ų | 48.7 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | trans | -64.4 | 104.6 | 173.3 | 26.6 | -35.1 | 0 | 0 | 0 | 110.7 | V1357 V1391 S1393 I1394 | P1352-V1357 HydrophobicContact CB-CG2 4.15Å; P1352-V1391 HydrophobicContact CB-CG1 4.13Å; P1352-V1391 HydrophobicContact CG-CG1 4.43Å; P1352-S1393 WeakPolarHBondContact CD-OG 3.37Å; P1352-S1393 WeakPolarHBondContact CG-OG 3.4Å; P1352-I1394 HydrophobicContact CB-CD1 4.08Å; P1352-I1394 HydrophobicContact CB-CG1 3.98Å | ||
| 1353 | S | 73.8 | Confident | 67.6 | Low | 34.6 Ų | 34.6 | 42.8 Ų | 42.8 | 24% | 0.242 | 25% | 0.245 | C | C | . | . | trans | -79.5 | 164 | 166.8 | 78.8 | 0 | 0 | 0 | 0 | 110.5 | Q1351 E1355 I1356 V1357 | Q1351-S1353 PolarHBondContact O-N 3.3Å; S1353-E1355 VanDerWaalsContact CB-OE2 3.24Å; S1353-E1355 WeakPolarHBondContact CB-OE2 3.34Å; S1353-E1355 PolarHBondContact O-N 3.32Å; S1353-E1355 PolarHBondContact OG-N 3.03Å; S1353-E1355 PolarHBondContact OG-OE2 2.99Å; S1353-I1356 PolarHBondContact O-N 3.33Å; S1353-I1356 VanDerWaalsContact O-N 3.12Å; S1353-I1356 WeakPolarHBondContact OG-CD1 3.36Å; S1353-I1356 WeakPolarHBondContact OG-CG1 3.32Å; S1353-I1356 PolarHBondContact OG-N 3.14Å; S1353-V1357 WeakPolarHBondContact O-CG2 3.36Å; S1353-V1357 PolarHBondContact O-N 2.99Å | ||
| 1354 | L | 78.5 | Confident | 69.7 | Low | 133 Ų | 133 | 40.6 Ų | 40.6 | 70% | 0.696 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -57.3 | -36.2 | 177.2 | -160.4 | 95.8 | 0 | 0 | 0 | 111.8 | V1357 K1358 | L1354-V1357 PolarHBondContact O-N 3.18Å; L1354-K1358 WeakPolarHBondContact O-CB 3.36Å; L1354-K1358 WeakPolarHBondContact O-CG 3.41Å; L1354-K1358 PolarHBondContact O-N 3.02Å |
| 1355 | E | 83.3 | Confident | 71.7 | Confident | 40.8 Ų | 40.8 | 37 Ų | 37 | 19% | 0.191 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.8 | -40.7 | 176.8 | -55.4 | 80 | -163.2 | 0 | 0 | 112 | R1065 N1068 L1134 L1138 L1218 S1353 V1357 K1358 F1359 | R1065-E1355 IonicContact CZ-OE2 3.95Å; R1065-E1355 IonicContact NH1-OE2 3.98Å; R1065-E1355 IonicContact NH2-OE2 3.12Å; R1065-E1355 PolarHBondContact NH2-OE2 3.07Å; N1068-E1355 PolarHBondContact ND2-OE1 2.64Å; L1134-E1355 HydrophobicContact CD2-CB 4.27Å; L1134-E1355 HydrophobicContact CD2-CG 4.28Å; L1138-E1355 HydrophobicContact CD1-CB 3.92Å; L1138-E1355 HydrophobicContact CD1-CG 4.3Å; L1218-E1355 HydrophobicContact CD1-CB 3.93Å; S1353-E1355 VanDerWaalsContact CB-OE2 3.24Å; S1353-E1355 WeakPolarHBondContact CB-OE2 3.34Å; S1353-E1355 PolarHBondContact O-N 3.32Å; S1353-E1355 PolarHBondContact OG-N 3.03Å; S1353-E1355 PolarHBondContact OG-OE2 2.99Å; E1355-V1357 VanDerWaalsContact C-N 3.33Å; E1355-K1358 PolarHBondContact O-N 3.3Å; E1355-F1359 VanDerWaalsContact O-CB 3.31Å; E1355-F1359 WeakPolarHBondContact O-CB 3.38Å; E1355-F1359 PolarHBondContact O-N 3.03Å |
| 1356 | I | 82 | Confident | 73.8 | Confident | 3.8 Ų | 3.8 | 34.4 Ų | 34.4 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 176.3 | -61.1 | 171.5 | 0 | 0 | 0 | 109.9 | L1218 F1219 I1350 Q1351 S1353 F1359 T1360 L1387 V1391 I1394 | L1218-I1356 HydrophobicContact CD1-CB 4.42Å; L1218-I1356 HydrophobicContact CD1-CG1 3.65Å; L1218-I1356 HydrophobicContact CD2-CB 4.41Å; L1218-I1356 HydrophobicContact CD2-CG1 4Å; L1218-I1356 HydrophobicContact CD2-CG2 4.39Å; L1218-I1356 HydrophobicContact CG-CG1 3.85Å; F1219-I1356 HydrophobicContact CE1-CD1 4.02Å; F1219-I1356 HydrophobicContact CE1-CG1 4.39Å; F1219-I1356 HydrophobicContact CE1-CG2 4.37Å; F1219-I1356 HydrophobicContact CZ-CG2 4.12Å; I1350-I1356 HydrophobicContact CG2-CD1 3.94Å; Q1351-I1356 WeakPolarHBondContact O-CD1 3.33Å; S1353-I1356 PolarHBondContact O-N 3.33Å; S1353-I1356 VanDerWaalsContact O-N 3.12Å; S1353-I1356 WeakPolarHBondContact OG-CD1 3.36Å; S1353-I1356 WeakPolarHBondContact OG-CG1 3.32Å; S1353-I1356 PolarHBondContact OG-N 3.14Å; I1356-F1359 PolarHBondContact O-N 3.07Å; I1356-T1360 WeakPolarHBondContact O-CB 3.42Å; I1356-T1360 PolarHBondContact O-N 3.23Å; I1356-T1360 PolarHBondContact O-OG1 3.21Å; I1356-L1387 HydrophobicContact CG2-CD2 3.94Å; I1356-V1391 HydrophobicContact CD1-CG2 4.3Å; I1356-V1391 HydrophobicContact CG2-CG1 4.46Å; I1356-V1391 HydrophobicContact CG2-CG2 4.16Å; I1356-I1394 HydrophobicContact CB-CD1 4.3Å; I1356-I1394 HydrophobicContact CG2-CD1 3.29Å |
| 1357 | V | 80.8 | Confident | 75.7 | Confident | 23.8 Ų | 23.8 | 31.9 Ų | 31.9 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -51 | 175.6 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | P1352 S1353 L1354 E1355 F1359 T1360 D1361 R1397 | P1352-V1357 HydrophobicContact CB-CG2 4.15Å; S1353-V1357 WeakPolarHBondContact O-CG2 3.36Å; S1353-V1357 PolarHBondContact O-N 2.99Å; L1354-V1357 PolarHBondContact O-N 3.18Å; E1355-V1357 VanDerWaalsContact C-N 3.33Å; V1357-F1359 VanDerWaalsContact C-N 3.31Å; V1357-F1359 PolarHBondContact O-N 3.24Å; V1357-T1360 WeakPolarHBondContact O-CB 3.41Å; V1357-T1360 PolarHBondContact O-N 3.27Å; V1357-T1360 VanDerWaalsContact O-N 3.11Å; V1357-D1361 VanDerWaalsContact O-CG 3.3Å; V1357-D1361 PolarHBondContact O-N 3.21Å; V1357-R1397 VanDerWaalsContact CG1-CZ 3.46Å; V1357-R1397 VanDerWaalsContact CG1-NH1 3.29Å; V1357-R1397 VanDerWaalsContact CG1-NH2 3.31Å |
| 1358 | K | 85.1 | Confident | 77.1 | Confident | 93.4 Ų | 93.4 | 30.6 Ų | 30.6 | 41% | 0.406 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 177.1 | -137.7 | 176.8 | -180 | -178.9 | 0 | 112 | D1142 L1354 E1355 T1360 D1361 I1362 | D1142-K1358 WeakPolarHBondContact OD2-CE 3.38Å; D1142-K1358 IonicContact OD2-NZ 3.29Å; D1142-K1358 PolarHBondContact OD2-NZ 3.21Å; L1354-K1358 WeakPolarHBondContact O-CB 3.36Å; L1354-K1358 WeakPolarHBondContact O-CG 3.41Å; L1354-K1358 PolarHBondContact O-N 3.02Å; E1355-K1358 PolarHBondContact O-N 3.3Å; K1358-T1360 VanDerWaalsContact C-N 3.3Å; K1358-T1360 PolarHBondContact O-N 3.05Å; K1358-D1361 PolarHBondContact O-N 3.17Å; K1358-I1362 HydrophobicContact CG-CD1 4.02Å; K1358-I1362 WeakPolarHBondContact O-CB 3.45Å; K1358-I1362 WeakPolarHBondContact O-CD1 3.36Å; K1358-I1362 VanDerWaalsContact O-CG1 3.24Å; K1358-I1362 WeakPolarHBondContact O-CG1 3.34Å; K1358-I1362 PolarHBondContact O-N 3.01Å |
| 1359 | F | 88.7 | Confident | 78.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -39.6 | 177.1 | -173.3 | -119.5 | 0 | 0 | 0 | 112.4 | L1138 L1141 I1211 T1214 H1215 L1218 E1355 I1356 V1357 I1362 L1363 L1387 | L1138-F1359 HydrophobicContact CD2-CB 3.79Å; L1138-F1359 HydrophobicContact CD2-CD2 3.82Å; L1138-F1359 HydrophobicContact CD2-CG 4.23Å; L1141-F1359 HydrophobicContact CD1-CD2 4.45Å; L1141-F1359 HydrophobicContact CD1-CE2 3.95Å; I1211-F1359 HydrophobicContact CG2-CZ 4.08Å; T1214-F1359 HydrophobicContact CG2-CD2 3.85Å; T1214-F1359 HydrophobicContact CG2-CE2 3.73Å; T1214-F1359 HydrophobicContact CG2-CZ 4.49Å; H1215-F1359 HydrophobicContact CB-CE1 4.31Å; H1215-F1359 HydrophobicContact CB-CZ 4.12Å; H1215-F1359 AromaticContact CD2-CE1 3.99Å; L1218-F1359 HydrophobicContact CD2-CB 4.06Å; L1218-F1359 HydrophobicContact CD2-CD1 3.5Å; L1218-F1359 VanDerWaalsContact CD2-CD1 3.44Å; L1218-F1359 HydrophobicContact CD2-CE1 4.14Å; L1218-F1359 HydrophobicContact CD2-CG 3.94Å; E1355-F1359 VanDerWaalsContact O-CB 3.31Å; E1355-F1359 WeakPolarHBondContact O-CB 3.38Å; E1355-F1359 PolarHBondContact O-N 3.03Å; I1356-F1359 PolarHBondContact O-N 3.07Å; V1357-F1359 VanDerWaalsContact C-N 3.31Å; V1357-F1359 PolarHBondContact O-N 3.24Å; F1359-I1362 PolarHBondContact O-N 3.16Å; F1359-L1363 HydrophobicContact CD1-CD1 3.95Å; F1359-L1363 HydrophobicContact CE1-CD1 3.49Å; F1359-L1363 VanDerWaalsContact CE1-CD1 3.47Å; F1359-L1363 HydrophobicContact CE1-CG 4.33Å; F1359-L1363 HydrophobicContact CE2-CD1 4.29Å; F1359-L1363 HydrophobicContact CE2-CG 4.31Å; F1359-L1363 HydrophobicContact CG-CD1 4.47Å; F1359-L1363 HydrophobicContact CZ-CD1 3.73Å; F1359-L1363 HydrophobicContact CZ-CD2 4.42Å; F1359-L1363 HydrophobicContact CZ-CG 4.22Å; F1359-L1363 WeakPolarHBondContact O-CB 3.09Å; F1359-L1363 WeakPolarHBondContact O-CG 3.33Å; F1359-L1363 PolarHBondContact O-N 3.27Å; F1359-L1387 HydrophobicContact CD1-CD1 3.67Å; F1359-L1387 HydrophobicContact CD1-CD2 4.12Å; F1359-L1387 HydrophobicContact CD1-CG 4.24Å; F1359-L1387 HydrophobicContact CE1-CD1 3.94Å; F1359-L1387 HydrophobicContact CE1-CG 4.32Å |
| 1360 | T | 84.9 | Confident | 78.6 | Confident | 2.8 Ų | 2.8 | 27.8 Ų | 27.8 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.8 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | I1356 V1357 K1358 I1362 L1363 S1364 L1383 L1387 I1394 V1398 | I1356-T1360 WeakPolarHBondContact O-CB 3.42Å; I1356-T1360 PolarHBondContact O-N 3.23Å; I1356-T1360 PolarHBondContact O-OG1 3.21Å; V1357-T1360 WeakPolarHBondContact O-CB 3.41Å; V1357-T1360 PolarHBondContact O-N 3.27Å; V1357-T1360 VanDerWaalsContact O-N 3.11Å; K1358-T1360 VanDerWaalsContact C-N 3.3Å; K1358-T1360 PolarHBondContact O-N 3.05Å; T1360-I1362 VanDerWaalsContact C-N 3.31Å; T1360-I1362 PolarHBondContact O-N 3.02Å; T1360-L1363 PolarHBondContact O-N 2.97Å; T1360-S1364 WeakPolarHBondContact O-CB 3.35Å; T1360-S1364 PolarHBondContact O-N 3.16Å; T1360-S1364 PolarHBondContact O-OG 3.01Å; T1360-L1383 HydrophobicContact CG2-CD2 4.29Å; T1360-L1387 HydrophobicContact CG2-CD2 4.29Å; T1360-L1387 WeakPolarHBondContact OG1-CD1 2.95Å; T1360-L1387 WeakPolarHBondContact OG1-CD2 3.44Å; T1360-I1394 HydrophobicContact CG2-CG2 3.5Å; T1360-V1398 HydrophobicContact CG2-CG2 3.27Å |
| 1361 | D | 84.2 | Confident | 78.6 | Confident | 62 Ų | 62 | 31.1 Ų | 31.1 | 33% | 0.332 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 179.2 | -65.2 | -27 | 0 | 0 | 0 | 110.2 | V1357 K1358 L1363 S1364 I1365 R1397 | V1357-D1361 VanDerWaalsContact O-CG 3.3Å; V1357-D1361 PolarHBondContact O-N 3.21Å; K1358-D1361 PolarHBondContact O-N 3.17Å; D1361-L1363 PolarHBondContact O-N 3.08Å; D1361-S1364 WeakPolarHBondContact O-CB 3.46Å; D1361-S1364 PolarHBondContact O-N 3.14Å; D1361-S1364 PolarHBondContact O-OG 3.26Å; D1361-I1365 WeakPolarHBondContact O-CG1 3.36Å; D1361-I1365 PolarHBondContact O-N 3.15Å; D1361-I1365 VanDerWaalsContact O-N 3.13Å; D1361-R1397 IonicContact OD1-CZ 3.21Å; D1361-R1397 IonicContact OD1-NE 3.53Å; D1361-R1397 IonicContact OD1-NH2 3.13Å; D1361-R1397 PolarHBondContact OD1-NH2 3.26Å; D1361-R1397 IonicContact OD2-CZ 3.71Å; D1361-R1397 IonicContact OD2-NH2 3.37Å; D1361-R1397 PolarHBondContact OD2-NH2 3.04Å |
| 1362 | I | 86 | Confident | 78.9 | Confident | 4.6 Ų | 4.6 | 31.4 Ų | 31.4 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.2 | -49.6 | 174.9 | -66.9 | 164.5 | 0 | 0 | 0 | 111.7 | L1138 L1141 D1142 K1358 F1359 T1360 S1364 I1365 L1366 | L1138-I1362 HydrophobicContact CD2-CD1 4.42Å; L1141-I1362 HydrophobicContact CB-CD1 4.48Å; L1141-I1362 HydrophobicContact CB-CG2 3.91Å; D1142-I1362 HydrophobicContact CB-CD1 3.83Å; D1142-I1362 HydrophobicContact CB-CG1 4.33Å; K1358-I1362 HydrophobicContact CG-CD1 4.02Å; K1358-I1362 WeakPolarHBondContact O-CB 3.45Å; K1358-I1362 WeakPolarHBondContact O-CD1 3.36Å; K1358-I1362 VanDerWaalsContact O-CG1 3.24Å; K1358-I1362 WeakPolarHBondContact O-CG1 3.34Å; K1358-I1362 PolarHBondContact O-N 3.01Å; F1359-I1362 PolarHBondContact O-N 3.16Å; T1360-I1362 VanDerWaalsContact C-N 3.31Å; T1360-I1362 PolarHBondContact O-N 3.02Å; I1362-S1364 VanDerWaalsContact C-N 3.28Å; I1362-S1364 PolarHBondContact O-N 3Å; I1362-I1365 WeakPolarHBondContact O-CB 3.39Å; I1362-I1365 PolarHBondContact O-N 3.27Å; I1362-L1366 HydrophobicContact CG2-CD1 4.16Å; I1362-L1366 WeakPolarHBondContact O-CG 2.98Å; I1362-L1366 PolarHBondContact O-N 3.04Å |
| 1363 | L | 86.6 | Confident | 78.9 | Confident | 0.2 Ų | 0.2 | 31.6 Ų | 31.6 | 0% | 0.001 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.7 | -34.7 | 178.5 | -74.1 | 178.1 | 0 | 0 | 0 | 112 | I1211 F1359 T1360 D1361 I1365 L1366 A1367 A1379 F1382 L1383 L1387 | I1211-L1363 HydrophobicContact CD1-CD2 3.77Å; I1211-L1363 HydrophobicContact CG1-CD2 4.17Å; I1211-L1363 HydrophobicContact CG2-CD2 4.28Å; F1359-L1363 HydrophobicContact CD1-CD1 3.95Å; F1359-L1363 HydrophobicContact CE1-CD1 3.49Å; F1359-L1363 VanDerWaalsContact CE1-CD1 3.47Å; F1359-L1363 HydrophobicContact CE1-CG 4.33Å; F1359-L1363 HydrophobicContact CE2-CD1 4.29Å; F1359-L1363 HydrophobicContact CE2-CG 4.31Å; F1359-L1363 HydrophobicContact CG-CD1 4.47Å; F1359-L1363 HydrophobicContact CZ-CD1 3.73Å; F1359-L1363 HydrophobicContact CZ-CD2 4.42Å; F1359-L1363 HydrophobicContact CZ-CG 4.22Å; F1359-L1363 WeakPolarHBondContact O-CB 3.09Å; F1359-L1363 WeakPolarHBondContact O-CG 3.33Å; F1359-L1363 PolarHBondContact O-N 3.27Å; T1360-L1363 PolarHBondContact O-N 2.97Å; D1361-L1363 PolarHBondContact O-N 3.08Å; L1363-I1365 VanDerWaalsContact C-N 3.32Å; L1363-I1365 PolarHBondContact O-N 3.12Å; L1363-L1366 HydrophobicContact CD2-CD1 4.48Å; L1363-L1366 PolarHBondContact O-N 3.09Å; L1363-A1367 VanDerWaalsContact O-CB 3.25Å; L1363-A1367 WeakPolarHBondContact O-CB 3.37Å; L1363-A1367 PolarHBondContact O-N 3.13Å; L1363-A1379 HydrophobicContact CD2-CB 4.31Å; L1363-F1382 HydrophobicContact CD1-CB 4.22Å; L1363-F1382 HydrophobicContact CD2-CB 4.45Å; L1363-L1383 HydrophobicContact CB-CD1 4.15Å; L1363-L1383 HydrophobicContact CB-CD2 3.74Å; L1363-L1383 HydrophobicContact CB-CG 3.73Å; L1363-L1383 HydrophobicContact CD1-CB 4.5Å; L1363-L1383 HydrophobicContact CD1-CD2 4.25Å; L1363-L1383 HydrophobicContact CD1-CG 4.24Å; L1363-L1387 HydrophobicContact CD1-CD1 3.74Å |
| 1364 | S | 82.1 | Confident | 78.7 | Confident | 15.2 Ų | 15.2 | 32.3 Ų | 32.3 | 11% | 0.106 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 176.1 | 39.5 | 0 | 0 | 0 | 0 | 112 | T1360 D1361 I1362 T1368 | T1360-S1364 WeakPolarHBondContact O-CB 3.35Å; T1360-S1364 PolarHBondContact O-N 3.16Å; T1360-S1364 PolarHBondContact O-OG 3.01Å; D1361-S1364 WeakPolarHBondContact O-CB 3.46Å; D1361-S1364 PolarHBondContact O-N 3.14Å; D1361-S1364 PolarHBondContact O-OG 3.26Å; I1362-S1364 VanDerWaalsContact C-N 3.28Å; I1362-S1364 PolarHBondContact O-N 3Å; S1364-T1368 WeakPolarHBondContact O-CB 3.19Å; S1364-T1368 WeakPolarHBondContact O-CG2 3.35Å; S1364-T1368 PolarHBondContact O-N 3.24Å; S1364-T1368 PolarHBondContact O-OG1 3.24Å |
| 1365 | I | 80.7 | Confident | 78.5 | Confident | 47.2 Ų | 47.2 | 26 Ų | 26 | 24% | 0.242 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.1 | -52.9 | 172.4 | -65.9 | 165.6 | 0 | 0 | 0 | 109.3 | S1145 K1149 D1361 I1362 L1363 A1367 T1368 S1369 | S1145-I1365 WeakPolarHBondContact O-CG2 3.1Å; K1149-I1365 HydrophobicContact CB-CG2 4.23Å; D1361-I1365 WeakPolarHBondContact O-CG1 3.36Å; D1361-I1365 PolarHBondContact O-N 3.15Å; D1361-I1365 VanDerWaalsContact O-N 3.13Å; I1362-I1365 WeakPolarHBondContact O-CB 3.39Å; I1362-I1365 PolarHBondContact O-N 3.27Å; L1363-I1365 VanDerWaalsContact C-N 3.32Å; L1363-I1365 PolarHBondContact O-N 3.12Å; I1365-A1367 PolarHBondContact O-N 3.1Å; I1365-A1367 VanDerWaalsContact O-N 3.16Å; I1365-T1368 PolarHBondContact O-N 3.18Å; I1365-T1368 PolarHBondContact O-OG1 3.22Å; I1365-T1368 VanDerWaalsContact O-OG1 3.07Å; I1365-S1369 VanDerWaalsContact CG2-OG 3.29Å; I1365-S1369 WeakPolarHBondContact CG2-OG 3.36Å; I1365-S1369 WeakPolarHBondContact O-CB 3.05Å; I1365-S1369 PolarHBondContact O-N 3.13Å; I1365-S1369 PolarHBondContact O-OG 3.1Å |
| 1366 | L | 82.2 | Confident | 78.2 | Confident | 0.2 Ų | 0.2 | 25.7 Ų | 25.7 | 0% | 0.001 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.1 | -29.3 | 179.9 | -67.8 | 174.7 | 0 | 0 | 0 | 113.7 | M1148 I1207 I1211 I1362 L1363 T1368 S1369 P1370 I1375 A1379 | M1148-L1366 HydrophobicContact SD-CD2 3.89Å; I1207-L1366 HydrophobicContact CG2-CD1 4.49Å; I1211-L1366 HydrophobicContact CD1-CD1 4.37Å; I1362-L1366 HydrophobicContact CG2-CD1 4.16Å; I1362-L1366 WeakPolarHBondContact O-CG 2.98Å; I1362-L1366 PolarHBondContact O-N 3.04Å; L1363-L1366 HydrophobicContact CD2-CD1 4.48Å; L1363-L1366 PolarHBondContact O-N 3.09Å; L1366-T1368 VanDerWaalsContact C-N 3.33Å; L1366-T1368 PolarHBondContact O-N 3.42Å; L1366-T1368 VanDerWaalsContact O-N 3.17Å; L1366-S1369 PolarHBondContact O-N 3.03Å; L1366-S1369 PolarHBondContact O-OG 2.79Å; L1366-S1369 VanDerWaalsContact O-OG 3.07Å; L1366-P1370 HydrophobicContact CD2-CG 4.41Å; L1366-P1370 WeakPolarHBondContact O-CD 3.39Å; L1366-P1370 WeakPolarHBondContact O-CG 3.2Å; L1366-I1375 HydrophobicContact CB-CG2 4.44Å; L1366-I1375 HydrophobicContact CD2-CG2 4.34Å; L1366-A1379 HydrophobicContact CB-CB 3.8Å |
| 1367 | A | 79.9 | Confident | 77.9 | Confident | 2.2 Ų | 2.2 | 31.1 Ų | 31.1 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.7 | -22.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1363 I1365 R1376 A1379 N1380 L1383 | L1363-A1367 VanDerWaalsContact O-CB 3.25Å; L1363-A1367 WeakPolarHBondContact O-CB 3.37Å; L1363-A1367 PolarHBondContact O-N 3.13Å; I1365-A1367 PolarHBondContact O-N 3.1Å; I1365-A1367 VanDerWaalsContact O-N 3.16Å; A1367-R1376 WeakPolarHBondContact O-CD 3.38Å; A1367-R1376 WeakPolarHBondContact O-CG 3.38Å; A1367-A1379 HydrophobicContact CB-CB 4.13Å; A1367-N1380 VanDerWaalsContact CB-OD1 3.28Å; A1367-N1380 WeakPolarHBondContact CB-OD1 3.27Å; A1367-L1383 HydrophobicContact CB-CD1 3.94Å |
| 1368 | T | 74.9 | Confident | 77.7 | Confident | 1.8 Ų | 1.8 | 31.1 Ų | 31.1 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -124.8 | -16.7 | -168.1 | 58.9 | 0 | 0 | 0 | 0 | 115.4 | S1364 I1365 L1366 L1402 R1405 S1464 A1468 | S1364-T1368 WeakPolarHBondContact O-CB 3.19Å; S1364-T1368 WeakPolarHBondContact O-CG2 3.35Å; S1364-T1368 PolarHBondContact O-N 3.24Å; S1364-T1368 PolarHBondContact O-OG1 3.24Å; I1365-T1368 PolarHBondContact O-N 3.18Å; I1365-T1368 PolarHBondContact O-OG1 3.22Å; I1365-T1368 VanDerWaalsContact O-OG1 3.07Å; L1366-T1368 VanDerWaalsContact C-N 3.33Å; L1366-T1368 PolarHBondContact O-N 3.42Å; L1366-T1368 VanDerWaalsContact O-N 3.17Å; T1368-L1402 HydrophobicContact CG2-CD2 3.73Å; T1368-R1405 PolarHBondContact OG1-NH1 3.25Å; T1368-S1464 WeakPolarHBondContact O-CB 3.24Å; T1368-A1468 HydrophobicContact CG2-CB 4.37Å |
| 1369 | S | 72.3 | Confident | 77.5 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -83.5 | -50.8 | 179.2 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | I1365 L1366 R1371 R1376 H1460 | I1365-S1369 VanDerWaalsContact CG2-OG 3.29Å; I1365-S1369 WeakPolarHBondContact CG2-OG 3.36Å; I1365-S1369 WeakPolarHBondContact O-CB 3.05Å; I1365-S1369 PolarHBondContact O-N 3.13Å; I1365-S1369 PolarHBondContact O-OG 3.1Å; L1366-S1369 PolarHBondContact O-N 3.03Å; L1366-S1369 PolarHBondContact O-OG 2.79Å; L1366-S1369 VanDerWaalsContact O-OG 3.07Å; S1369-R1371 PolarHBondContact O-N 3.36Å; S1369-R1376 WeakPolarHBondContact O-CD 3.36Å; S1369-R1376 WeakPolarHBondContact O-CG 3.36Å; S1369-H1460 PolarHBondContact O-NE2 3.43Å; S1369-H1460 VanDerWaalsContact O-NE2 3.15Å |
| 1370 | P | 68.5 | Low | 77.1 | Confident | 3.8 Ų | 3.8 | 27 Ų | 27 | 3% | 0.025 | 13% | 0.133 | C | C | . | . | trans | -70.2 | 131 | -166.8 | 8.6 | -8 | 0 | 0 | 0 | 113.8 | M1148 D1152 W1199 L1366 R1372 I1375 R1376 L1457 H1460 | M1148-P1370 HydrophobicContact CE-CB 3.65Å; D1152-P1370 HydrophobicContact CB-CG 3.8Å; D1152-P1370 VanDerWaalsContact OD2-CA 3.28Å; D1152-P1370 WeakPolarHBondContact OD2-CA 3.36Å; D1152-P1370 WeakPolarHBondContact OD2-CD 3.13Å; D1152-P1370 WeakPolarHBondContact OD2-CG 3.32Å; W1199-P1370 HydrophobicContact CH2-CB 4.04Å; W1199-P1370 HydrophobicContact CZ3-CB 4.22Å; L1366-P1370 HydrophobicContact CD2-CG 4.41Å; L1366-P1370 WeakPolarHBondContact O-CD 3.39Å; L1366-P1370 WeakPolarHBondContact O-CG 3.2Å; P1370-R1372 VanDerWaalsContact C-N 3.27Å; P1370-R1372 PolarHBondContact O-N 2.97Å; P1370-R1372 VanDerWaalsContact O-N 3.14Å; P1370-I1375 HydrophobicContact CG-CB 4.38Å; P1370-I1375 HydrophobicContact CG-CG2 4.15Å; P1370-R1376 HydrophobicContact CG-CG 3.89Å; P1370-R1376 VanDerWaalsContact O-CD 3.25Å; P1370-R1376 WeakPolarHBondContact O-CD 3.39Å; P1370-R1376 WeakPolarHBondContact O-CG 3.4Å; P1370-R1376 PolarHBondContact O-NE 3.36Å; P1370-L1457 HydrophobicContact CB-CD1 3.56Å; P1370-L1457 HydrophobicContact CG-CD1 3.61Å; P1370-H1460 WeakPolarHBondContact CA-CD2 3.36Å; P1370-H1460 WeakPolarHBondContact CA-NE2 3.29Å; P1370-H1460 PolarHBondContact O-CD2 2.92Å; P1370-H1460 PolarHBondContact O-CE1 3.14Å; P1370-H1460 PolarHBondContact O-NE2 3.09Å | ||
| 1371 | R | 66 | Low | 76.8 | Confident | 74.6 Ų | 74.6 | 31.4 Ų | 31.4 | 28% | 0.282 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -68.7 | -33.9 | 175.2 | -74.3 | -170.9 | 174.8 | -163.5 | 2.5 | 113.9 | D1152 D1169 W1199 S1369 S1373 R1376 H1460 | D1152-R1371 PolarHBondContact OD2-N 3.05Å; D1169-R1371 VanDerWaalsContact CG-NH1 3.26Å; D1169-R1371 IonicContact OD1-NH1 3.31Å; D1169-R1371 PolarHBondContact OD1-NH1 2.99Å; D1169-R1371 IonicContact OD2-NH1 2.72Å; D1169-R1371 PolarHBondContact OD2-NH1 3.03Å; W1199-R1371 HydrophobicContact CH2-CB 4.16Å; W1199-R1371 HydrophobicContact CZ2-CB 4.35Å; S1369-R1371 PolarHBondContact O-N 3.36Å; R1371-S1373 PolarHBondContact O-N 3Å; R1371-R1376 PolarHBondContact O-NH2 3Å; R1371-R1376 VanDerWaalsContact O-NH2 3.11Å; R1371-H1460 VanDerWaalsContact CA-CE1 3.5Å; R1371-H1460 WeakPolarHBondContact CA-CE1 3.44Å; R1371-H1460 WeakPolarHBondContact CA-NE2 3.19Å |
| 1372 | R | 68 | Low | 76.6 | Confident | 63.6 Ų | 63.6 | 28.8 Ų | 28.8 | 24% | 0.24 | 14% | 0.138 | C | C | . | . | trans | -69.9 | 116.9 | 178.8 | -91 | -177.9 | 97.6 | 159 | 10.9 | 112.4 | W1199 F1202 N1204 P1370 D1374 I1375 R1376 | W1199-R1372 HydrophobicContact CE3-CG 4.11Å; W1199-R1372 HydrophobicContact CH2-CB 3.98Å; W1199-R1372 HydrophobicContact CH2-CG 3.9Å; W1199-R1372 HydrophobicContact CZ3-CB 3.97Å; W1199-R1372 HydrophobicContact CZ3-CG 3.57Å; W1199-R1372 VanDerWaalsContact CZ3-CG 3.47Å; W1199-R1372 PolarHBondContact O-NH2 2.74Å; F1202-R1372 PolarHBondContact O-NH1 3.12Å; N1204-R1372 WeakPolarHBondContact OD1-CD 3.34Å; P1370-R1372 VanDerWaalsContact C-N 3.27Å; P1370-R1372 PolarHBondContact O-N 2.97Å; P1370-R1372 VanDerWaalsContact O-N 3.14Å; R1372-D1374 VanDerWaalsContact CB-OD1 3.23Å; R1372-D1374 WeakPolarHBondContact CB-OD1 3.29Å; R1372-D1374 VanDerWaalsContact CG-OD1 3.22Å; R1372-D1374 WeakPolarHBondContact CG-OD1 3.41Å; R1372-D1374 IonicContact CZ-OD1 3.23Å; R1372-D1374 IonicContact CZ-OD2 3.32Å; R1372-D1374 IonicContact NE-OD1 3.43Å; R1372-D1374 PolarHBondContact NE-OD1 3.24Å; R1372-D1374 IonicContact NE-OD2 3Å; R1372-D1374 PolarHBondContact NE-OD2 3.12Å; R1372-D1374 VanDerWaalsContact NE-OD2 3.15Å; R1372-D1374 IonicContact NH2-OD1 3.03Å; R1372-D1374 PolarHBondContact NH2-OD1 3.12Å; R1372-D1374 IonicContact NH2-OD2 3.35Å; R1372-D1374 PolarHBondContact NH2-OD2 2.89Å; R1372-D1374 PolarHBondContact O-N 3.4Å; R1372-I1375 HydrophobicContact CB-CB 4.35Å; R1372-I1375 HydrophobicContact CB-CD1 3.99Å; R1372-I1375 HydrophobicContact CB-CG1 4.18Å; R1372-I1375 HydrophobicContact CG-CD1 4.41Å; R1372-I1375 PolarHBondContact O-N 2.88Å; R1372-R1376 WeakPolarHBondContact O-CG 3.39Å; R1372-R1376 PolarHBondContact O-N 2.96Å; R1372-R1376 PolarHBondContact O-NE 3.34Å | ||
| 1373 | S | 68.3 | Low | 76.3 | Confident | 53 Ų | 53 | 28.7 Ų | 28.7 | 37% | 0.371 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.7 | -38 | 177.4 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | R1371 I1375 R1376 Q1377 | R1371-S1373 PolarHBondContact O-N 3Å; S1373-I1375 PolarHBondContact O-N 3.26Å; S1373-R1376 PolarHBondContact O-N 3.19Å; S1373-Q1377 WeakPolarHBondContact O-CB 3.33Å; S1373-Q1377 VanDerWaalsContact O-CG 3.27Å; S1373-Q1377 WeakPolarHBondContact O-CG 3.2Å; S1373-Q1377 PolarHBondContact O-N 3.14Å |
| 1374 | D | 68.6 | Low | 75.5 | Confident | 48.4 Ų | 48.4 | 29.3 Ų | 29.3 | 26% | 0.259 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -65.7 | -42.2 | -176.1 | 50.1 | -25.7 | 0 | 0 | 0 | 112.5 | N1204 R1372 R1376 Q1377 L1378 | N1204-D1374 VanDerWaalsContact CB-OD2 3.25Å; N1204-D1374 WeakPolarHBondContact CB-OD2 3.18Å; N1204-D1374 VanDerWaalsContact ND2-CB 3.34Å; N1204-D1374 WeakPolarHBondContact ND2-CB 3.34Å; N1204-D1374 VanDerWaalsContact ND2-CG 3.32Å; N1204-D1374 PolarHBondContact ND2-OD2 3.01Å; R1372-D1374 VanDerWaalsContact CB-OD1 3.23Å; R1372-D1374 WeakPolarHBondContact CB-OD1 3.29Å; R1372-D1374 VanDerWaalsContact CG-OD1 3.22Å; R1372-D1374 WeakPolarHBondContact CG-OD1 3.41Å; R1372-D1374 IonicContact CZ-OD1 3.23Å; R1372-D1374 IonicContact CZ-OD2 3.32Å; R1372-D1374 IonicContact NE-OD1 3.43Å; R1372-D1374 PolarHBondContact NE-OD1 3.24Å; R1372-D1374 IonicContact NE-OD2 3Å; R1372-D1374 PolarHBondContact NE-OD2 3.12Å; R1372-D1374 VanDerWaalsContact NE-OD2 3.15Å; R1372-D1374 IonicContact NH2-OD1 3.03Å; R1372-D1374 PolarHBondContact NH2-OD1 3.12Å; R1372-D1374 IonicContact NH2-OD2 3.35Å; R1372-D1374 PolarHBondContact NH2-OD2 2.89Å; R1372-D1374 PolarHBondContact O-N 3.4Å; D1374-R1376 VanDerWaalsContact C-N 3.31Å; D1374-R1376 PolarHBondContact O-N 3.3Å; D1374-Q1377 PolarHBondContact O-N 2.96Å; D1374-L1378 VanDerWaalsContact O-CB 3.3Å; D1374-L1378 WeakPolarHBondContact O-CB 3.38Å; D1374-L1378 PolarHBondContact O-N 3.03Å; D1374-L1378 VanDerWaalsContact O-N 3.08Å |
| 1375 | I | 74.4 | Confident | 74.8 | Confident | 1.4 Ų | 1.4 | 29.4 Ų | 29.4 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 175.2 | -60.8 | 173.3 | 0 | 0 | 0 | 110.7 | M1148 W1199 N1204 I1207 L1366 P1370 R1372 S1373 Q1377 L1378 A1379 | M1148-I1375 HydrophobicContact CE-CD1 3.96Å; M1148-I1375 HydrophobicContact SD-CD1 4.2Å; W1199-I1375 HydrophobicContact CZ3-CD1 4.23Å; N1204-I1375 VanDerWaalsContact OD1-CG1 3.24Å; N1204-I1375 WeakPolarHBondContact OD1-CG1 3.31Å; I1207-I1375 HydrophobicContact CD1-CD1 3.56Å; I1207-I1375 VanDerWaalsContact CD1-CD1 3.48Å; I1207-I1375 HydrophobicContact CD1-CG1 3.94Å; I1207-I1375 HydrophobicContact CD1-CG2 4.26Å; L1366-I1375 HydrophobicContact CB-CG2 4.44Å; L1366-I1375 HydrophobicContact CD2-CG2 4.34Å; P1370-I1375 HydrophobicContact CG-CB 4.38Å; P1370-I1375 HydrophobicContact CG-CG2 4.15Å; R1372-I1375 HydrophobicContact CB-CB 4.35Å; R1372-I1375 HydrophobicContact CB-CD1 3.99Å; R1372-I1375 HydrophobicContact CB-CG1 4.18Å; R1372-I1375 HydrophobicContact CG-CD1 4.41Å; R1372-I1375 PolarHBondContact O-N 2.88Å; S1373-I1375 PolarHBondContact O-N 3.26Å; I1375-Q1377 VanDerWaalsContact C-N 3.35Å; I1375-Q1377 PolarHBondContact O-N 2.95Å; I1375-L1378 WeakPolarHBondContact O-CB 3.46Å; I1375-L1378 PolarHBondContact O-N 3.18Å; I1375-A1379 WeakPolarHBondContact O-CB 3.37Å; I1375-A1379 PolarHBondContact O-N 3.04Å |
| 1376 | R | 77.3 | Confident | 74.4 | Confident | 35 Ų | 35 | 28.3 Ų | 28.3 | 13% | 0.132 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 177.6 | -71 | -175.3 | -70.8 | 158.3 | 4.1 | 111.8 | A1367 S1369 P1370 R1371 R1372 S1373 D1374 L1378 A1379 N1380 H1460 S1464 | A1367-R1376 WeakPolarHBondContact O-CD 3.38Å; A1367-R1376 WeakPolarHBondContact O-CG 3.38Å; S1369-R1376 WeakPolarHBondContact O-CD 3.36Å; S1369-R1376 WeakPolarHBondContact O-CG 3.36Å; P1370-R1376 HydrophobicContact CG-CG 3.89Å; P1370-R1376 VanDerWaalsContact O-CD 3.25Å; P1370-R1376 WeakPolarHBondContact O-CD 3.39Å; P1370-R1376 WeakPolarHBondContact O-CG 3.4Å; P1370-R1376 PolarHBondContact O-NE 3.36Å; R1371-R1376 PolarHBondContact O-NH2 3Å; R1371-R1376 VanDerWaalsContact O-NH2 3.11Å; R1372-R1376 WeakPolarHBondContact O-CG 3.39Å; R1372-R1376 PolarHBondContact O-N 2.96Å; R1372-R1376 PolarHBondContact O-NE 3.34Å; S1373-R1376 PolarHBondContact O-N 3.19Å; D1374-R1376 VanDerWaalsContact C-N 3.31Å; D1374-R1376 PolarHBondContact O-N 3.3Å; R1376-L1378 VanDerWaalsContact C-N 3.31Å; R1376-L1378 PolarHBondContact O-N 3.01Å; R1376-A1379 PolarHBondContact O-N 2.99Å; R1376-N1380 VanDerWaalsContact O-CB 3.31Å; R1376-N1380 WeakPolarHBondContact O-CB 3.35Å; R1376-N1380 VanDerWaalsContact O-CG 3.29Å; R1376-N1380 PolarHBondContact O-N 3.02Å; R1376-N1380 PolarHBondContact O-ND2 3.12Å; R1376-N1380 VanDerWaalsContact O-ND2 3.1Å; R1376-H1460 PolarHBondContact NH1-CE1 3.14Å; R1376-H1460 VanDerWaalsContact NH1-CE1 3.25Å; R1376-H1460 PolarHBondContact NH1-NE2 3.25Å; R1376-H1460 PolarHBondContact NH2-CE1 2.78Å; R1376-S1464 PolarHBondContact NH1-OG 3.19Å |
| 1377 | Q | 75.6 | Confident | 74 | Confident | 117.6 Ų | 117.6 | 28.2 Ų | 28.2 | 55% | 0.55 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.6 | -74.8 | 177.4 | 3.9 | 0 | 0 | 111.4 | S1373 D1374 I1375 F1381 | S1373-Q1377 WeakPolarHBondContact O-CB 3.33Å; S1373-Q1377 VanDerWaalsContact O-CG 3.27Å; S1373-Q1377 WeakPolarHBondContact O-CG 3.2Å; S1373-Q1377 PolarHBondContact O-N 3.14Å; D1374-Q1377 PolarHBondContact O-N 2.96Å; I1375-Q1377 VanDerWaalsContact C-N 3.35Å; I1375-Q1377 PolarHBondContact O-N 2.95Å; Q1377-F1381 VanDerWaalsContact O-CB 3.26Å; Q1377-F1381 WeakPolarHBondContact O-CB 3.27Å; Q1377-F1381 PolarHBondContact O-N 3.25Å |
| 1378 | L | 76.5 | Confident | 73.6 | Confident | 22.6 Ų | 22.6 | 28.7 Ų | 28.7 | 12% | 0.118 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -51.7 | 174.9 | -177.1 | 101.5 | 0 | 0 | 0 | 111.6 | M709 N1204 I1207 C1208 I1211 D1374 I1375 R1376 N1380 F1381 F1382 | M709-L1378 HydrophobicContact CE-CD1 4.21Å; M709-L1378 HydrophobicContact SD-CD1 4.22Å; N1204-L1378 WeakPolarHBondContact OD1-CD2 3.47Å; I1207-L1378 HydrophobicContact CB-CD2 4.34Å; I1207-L1378 HydrophobicContact CG2-CD2 4.01Å; C1208-L1378 HydrophobicContact CB-CD1 3.8Å; C1208-L1378 VanDerWaalsContact CB-CD1 3.47Å; C1208-L1378 HydrophobicContact CB-CD2 3.81Å; C1208-L1378 WeakPolarHBondContact SG-CD1 3.35Å; I1211-L1378 HydrophobicContact CD1-CD2 3.78Å; I1211-L1378 VanDerWaalsContact CD1-CD2 3.45Å; I1211-L1378 HydrophobicContact CD1-CG 4.24Å; D1374-L1378 VanDerWaalsContact O-CB 3.3Å; D1374-L1378 WeakPolarHBondContact O-CB 3.38Å; D1374-L1378 PolarHBondContact O-N 3.03Å; D1374-L1378 VanDerWaalsContact O-N 3.08Å; I1375-L1378 WeakPolarHBondContact O-CB 3.46Å; I1375-L1378 PolarHBondContact O-N 3.18Å; R1376-L1378 VanDerWaalsContact C-N 3.31Å; R1376-L1378 PolarHBondContact O-N 3.01Å; L1378-N1380 VanDerWaalsContact C-N 3.33Å; L1378-N1380 PolarHBondContact O-N 3.01Å; L1378-F1381 WeakPolarHBondContact O-CA 3.43Å; L1378-F1381 WeakPolarHBondContact O-CB 3.36Å; L1378-F1381 PolarHBondContact O-N 3.15Å; L1378-F1381 VanDerWaalsContact O-N 3.12Å; L1378-F1382 HydrophobicContact CD1-CD2 4.12Å; L1378-F1382 HydrophobicContact CD1-CE2 3.74Å; L1378-F1382 HydrophobicContact CD2-CD2 3.89Å; L1378-F1382 HydrophobicContact CD2-CE2 3.96Å; L1378-F1382 HydrophobicContact CG-CD2 4.23Å; L1378-F1382 HydrophobicContact CG-CE2 4.13Å; L1378-F1382 VanDerWaalsContact O-CD2 3.29Å; L1378-F1382 WeakPolarHBondContact O-CD2 3.27Å; L1378-F1382 PolarHBondContact O-N 3.06Å; L1378-F1382 VanDerWaalsContact O-N 3.12Å |
| 1379 | A | 82.3 | Confident | 73.3 | Confident | 0.4 Ų | 0.4 | 33 Ų | 33 | 0% | 0.003 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1363 L1366 A1367 I1375 R1376 F1381 F1382 L1383 | L1363-A1379 HydrophobicContact CD2-CB 4.31Å; L1366-A1379 HydrophobicContact CB-CB 3.8Å; A1367-A1379 HydrophobicContact CB-CB 4.13Å; I1375-A1379 WeakPolarHBondContact O-CB 3.37Å; I1375-A1379 PolarHBondContact O-N 3.04Å; R1376-A1379 PolarHBondContact O-N 2.99Å; A1379-F1381 VanDerWaalsContact C-N 3.32Å; A1379-F1381 PolarHBondContact O-N 3.04Å; A1379-F1382 PolarHBondContact O-N 3.06Å; A1379-L1383 VanDerWaalsContact O-CB 3.31Å; A1379-L1383 WeakPolarHBondContact O-CB 3.37Å; A1379-L1383 WeakPolarHBondContact O-CG 3.38Å; A1379-L1383 PolarHBondContact O-N 3.04Å |
| 1380 | N | 79.3 | Confident | 73.1 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -36.6 | 174 | -78.5 | -35.2 | 0 | 0 | 0 | 112.5 | A1367 R1376 L1378 N1384 A1468 Q1471 | A1367-N1380 VanDerWaalsContact CB-OD1 3.28Å; A1367-N1380 WeakPolarHBondContact CB-OD1 3.27Å; R1376-N1380 VanDerWaalsContact O-CB 3.31Å; R1376-N1380 WeakPolarHBondContact O-CB 3.35Å; R1376-N1380 VanDerWaalsContact O-CG 3.29Å; R1376-N1380 PolarHBondContact O-N 3.02Å; R1376-N1380 PolarHBondContact O-ND2 3.12Å; R1376-N1380 VanDerWaalsContact O-ND2 3.1Å; L1378-N1380 VanDerWaalsContact C-N 3.33Å; L1378-N1380 PolarHBondContact O-N 3.01Å; N1380-N1384 VanDerWaalsContact O-CB 3.23Å; N1380-N1384 WeakPolarHBondContact O-CB 3.3Å; N1380-N1384 VanDerWaalsContact O-CG 3.26Å; N1380-N1384 PolarHBondContact O-N 2.98Å; N1380-N1384 PolarHBondContact O-ND2 3.33Å; N1380-N1384 VanDerWaalsContact O-ND2 3.1Å; N1380-A1468 WeakPolarHBondContact OD1-CB 3.33Å; N1380-Q1471 VanDerWaalsContact CG-OE1 3.26Å; N1380-Q1471 PolarHBondContact ND2-OE1 2.97Å; N1380-Q1471 VanDerWaalsContact ND2-OE1 3.13Å |
| 1381 | F | 79.3 | Confident | 73.1 | Confident | 96.6 Ų | 96.6 | 33.6 Ų | 33.6 | 42% | 0.424 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 174.8 | 175.2 | -92.1 | 0 | 0 | 0 | 111.1 | Q1377 L1378 A1379 L1383 N1384 A1385 | Q1377-F1381 VanDerWaalsContact O-CB 3.26Å; Q1377-F1381 WeakPolarHBondContact O-CB 3.27Å; Q1377-F1381 PolarHBondContact O-N 3.25Å; L1378-F1381 WeakPolarHBondContact O-CA 3.43Å; L1378-F1381 WeakPolarHBondContact O-CB 3.36Å; L1378-F1381 PolarHBondContact O-N 3.15Å; L1378-F1381 VanDerWaalsContact O-N 3.12Å; A1379-F1381 VanDerWaalsContact C-N 3.32Å; A1379-F1381 PolarHBondContact O-N 3.04Å; F1381-L1383 VanDerWaalsContact C-N 3.34Å; F1381-L1383 PolarHBondContact O-N 3.16Å; F1381-N1384 PolarHBondContact O-N 3.34Å; F1381-A1385 HydrophobicContact CD1-CB 4.37Å; F1381-A1385 HydrophobicContact CD2-CB 4.16Å; F1381-A1385 HydrophobicContact CE1-CB 4.23Å; F1381-A1385 HydrophobicContact CE2-CB 3.95Å; F1381-A1385 HydrophobicContact CG-CB 4.41Å; F1381-A1385 HydrophobicContact CZ-CB 3.99Å; F1381-A1385 WeakPolarHBondContact O-CA 3.31Å; F1381-A1385 WeakPolarHBondContact O-CB 3.35Å; F1381-A1385 PolarHBondContact O-N 3.37Å |
| 1382 | F | 78.8 | Confident | 73 | Confident | 6.2 Ų | 6.2 | 30.8 Ų | 30.8 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.1 | -39.6 | 179.3 | -81.9 | -87.7 | 0 | 0 | 0 | 112.8 | I1211 E1212 H1215 L1363 L1378 A1379 Q1386 L1387 | I1211-F1382 HydrophobicContact CB-CD2 4.45Å; I1211-F1382 HydrophobicContact CB-CE2 4.45Å; I1211-F1382 HydrophobicContact CG2-CB 3.94Å; I1211-F1382 HydrophobicContact CG2-CD1 3.44Å; I1211-F1382 VanDerWaalsContact CG2-CD1 3.46Å; I1211-F1382 HydrophobicContact CG2-CD2 3.5Å; I1211-F1382 VanDerWaalsContact CG2-CD2 3.47Å; I1211-F1382 HydrophobicContact CG2-CE1 3.77Å; I1211-F1382 HydrophobicContact CG2-CE2 3.82Å; I1211-F1382 HydrophobicContact CG2-CG 3.32Å; I1211-F1382 HydrophobicContact CG2-CZ 3.95Å; E1212-F1382 HydrophobicContact CG-CE1 4.25Å; E1212-F1382 HydrophobicContact CG-CZ 3.66Å; H1215-F1382 HydrophobicContact CB-CD1 4.41Å; H1215-F1382 HydrophobicContact CB-CE1 4.4Å; L1363-F1382 HydrophobicContact CD1-CB 4.22Å; L1363-F1382 HydrophobicContact CD2-CB 4.45Å; L1378-F1382 HydrophobicContact CD1-CD2 4.12Å; L1378-F1382 HydrophobicContact CD1-CE2 3.74Å; L1378-F1382 HydrophobicContact CD2-CD2 3.89Å; L1378-F1382 HydrophobicContact CD2-CE2 3.96Å; L1378-F1382 HydrophobicContact CG-CD2 4.23Å; L1378-F1382 HydrophobicContact CG-CE2 4.13Å; L1378-F1382 VanDerWaalsContact O-CD2 3.29Å; L1378-F1382 WeakPolarHBondContact O-CD2 3.27Å; L1378-F1382 PolarHBondContact O-N 3.06Å; L1378-F1382 VanDerWaalsContact O-N 3.12Å; A1379-F1382 PolarHBondContact O-N 3.06Å; F1382-Q1386 WeakPolarHBondContact O-CB 3.35Å; F1382-Q1386 PolarHBondContact O-N 3.09Å; F1382-L1387 PolarHBondContact O-N 3.03Å; F1382-L1387 VanDerWaalsContact O-N 3.16Å |
| 1383 | L | 79.6 | Confident | 72.9 | Confident | 2.8 Ų | 2.8 | 30.4 Ų | 30.4 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -60.8 | -49.6 | 175.2 | -136 | 154.7 | 0 | 0 | 0 | 111.2 | T1360 L1363 A1367 A1379 F1381 L1387 I1388 V1398 I1472 | T1360-L1383 HydrophobicContact CG2-CD2 4.29Å; L1363-L1383 HydrophobicContact CB-CD1 4.15Å; L1363-L1383 HydrophobicContact CB-CD2 3.74Å; L1363-L1383 HydrophobicContact CB-CG 3.73Å; L1363-L1383 HydrophobicContact CD1-CB 4.5Å; L1363-L1383 HydrophobicContact CD1-CD2 4.25Å; L1363-L1383 HydrophobicContact CD1-CG 4.24Å; A1367-L1383 HydrophobicContact CB-CD1 3.94Å; A1379-L1383 VanDerWaalsContact O-CB 3.31Å; A1379-L1383 WeakPolarHBondContact O-CB 3.37Å; A1379-L1383 WeakPolarHBondContact O-CG 3.38Å; A1379-L1383 PolarHBondContact O-N 3.04Å; F1381-L1383 VanDerWaalsContact C-N 3.34Å; F1381-L1383 PolarHBondContact O-N 3.16Å; L1383-L1387 HydrophobicContact CD2-CD1 3.95Å; L1383-L1387 WeakPolarHBondContact O-CB 3.1Å; L1383-L1387 PolarHBondContact O-N 2.67Å; L1383-I1388 HydrophobicContact CD2-CD1 3.62Å; L1383-I1388 HydrophobicContact CD2-CG1 4.3Å; L1383-I1388 VanDerWaalsContact O-CG1 3.31Å; L1383-I1388 WeakPolarHBondContact O-CG1 3.38Å; L1383-I1388 PolarHBondContact O-N 3.16Å; L1383-V1398 HydrophobicContact CD1-CG1 4.16Å; L1383-V1398 HydrophobicContact CD1-CG2 4.48Å; L1383-V1398 HydrophobicContact CD2-CG1 4.14Å; L1383-V1398 HydrophobicContact CD2-CG2 4.49Å; L1383-I1472 HydrophobicContact CD2-CD1 4.24Å; L1383-I1472 HydrophobicContact CD2-CG1 4.02Å |
| 1384 | N | 71 | Confident | 73 | Confident | 12.8 Ų | 12.8 | 28 Ų | 28 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -81.8 | -43.8 | -174.8 | -67.4 | -32.3 | 0 | 0 | 0 | 113.7 | N1380 F1381 Q1386 Q1471 I1472 R1475 | N1380-N1384 VanDerWaalsContact O-CB 3.23Å; N1380-N1384 WeakPolarHBondContact O-CB 3.3Å; N1380-N1384 VanDerWaalsContact O-CG 3.26Å; N1380-N1384 PolarHBondContact O-N 2.98Å; N1380-N1384 PolarHBondContact O-ND2 3.33Å; N1380-N1384 VanDerWaalsContact O-ND2 3.1Å; F1381-N1384 PolarHBondContact O-N 3.34Å; N1384-Q1386 VanDerWaalsContact C-N 3.32Å; N1384-Q1386 PolarHBondContact O-N 3.37Å; N1384-Q1471 WeakPolarHBondContact ND2-CB 3.36Å; N1384-I1472 WeakPolarHBondContact OD1-CA 3.32Å; N1384-I1472 WeakPolarHBondContact OD1-CG1 3.41Å; N1384-R1475 VanDerWaalsContact O-CD 3.28Å; N1384-R1475 WeakPolarHBondContact O-CD 3.3Å; N1384-R1475 PolarHBondContact O-NE 3.39Å; N1384-R1475 PolarHBondContact O-NH2 3.31Å |
| 1385 | A | 66.7 | Low | 73.2 | Confident | 17 Ų | 17 | 25.8 Ų | 25.8 | 14% | 0.14 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -76.7 | -29.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1381 K1389 R1475 | F1381-A1385 HydrophobicContact CD1-CB 4.37Å; F1381-A1385 HydrophobicContact CD2-CB 4.16Å; F1381-A1385 HydrophobicContact CE1-CB 4.23Å; F1381-A1385 HydrophobicContact CE2-CB 3.95Å; F1381-A1385 HydrophobicContact CG-CB 4.41Å; F1381-A1385 HydrophobicContact CZ-CB 3.99Å; F1381-A1385 WeakPolarHBondContact O-CA 3.31Å; F1381-A1385 WeakPolarHBondContact O-CB 3.35Å; F1381-A1385 PolarHBondContact O-N 3.37Å; A1385-K1389 WeakPolarHBondContact O-CD 3.45Å; A1385-R1475 VanDerWaalsContact CA-NH1 3.31Å; A1385-R1475 VanDerWaalsContact CA-NH2 3.29Å; A1385-R1475 VanDerWaalsContact CB-CZ 3.48Å; A1385-R1475 VanDerWaalsContact CB-NH1 3.33Å; A1385-R1475 VanDerWaalsContact N-NH1 3.19Å; A1385-R1475 PolarHBondContact O-NH2 3.02Å |
| 1386 | Q | 72.3 | Confident | 73 | Confident | 23.4 Ų | 23.4 | 27.1 Ų | 27.1 | 11% | 0.109 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -127.2 | -55.5 | -168.1 | -58.3 | 179.7 | -23.2 | 0 | 0 | 112.1 | H1215 H1226 F1382 N1384 K1389 F1390 | H1215-Q1386 PolarHBondContact CD2-OE1 3.43Å; H1215-Q1386 VanDerWaalsContact CE1-CB 3.46Å; H1215-Q1386 WeakPolarHBondContact CE1-CB 3.31Å; H1215-Q1386 VanDerWaalsContact CE1-CD 3.49Å; H1215-Q1386 PolarHBondContact CE1-OE1 3.1Å; H1215-Q1386 PolarHBondContact ND1-OE1 3.02Å; H1215-Q1386 VanDerWaalsContact NE2-CB 3.3Å; H1215-Q1386 WeakPolarHBondContact NE2-CB 3.36Å; H1215-Q1386 PolarHBondContact NE2-OE1 3.07Å; H1226-Q1386 PolarHBondContact NE2-NE2 3.38Å; F1382-Q1386 WeakPolarHBondContact O-CB 3.35Å; F1382-Q1386 PolarHBondContact O-N 3.09Å; N1384-Q1386 VanDerWaalsContact C-N 3.32Å; N1384-Q1386 PolarHBondContact O-N 3.37Å; Q1386-K1389 WeakPolarHBondContact O-CB 3.4Å; Q1386-K1389 PolarHBondContact O-N 3.19Å; Q1386-F1390 HydrophobicContact CB-CD2 4.38Å; Q1386-F1390 HydrophobicContact CB-CE2 4.15Å; Q1386-F1390 HydrophobicContact CG-CE2 4.34Å; Q1386-F1390 WeakPolarHBondContact O-CD2 3.37Å; Q1386-F1390 WeakPolarHBondContact O-CE2 3.48Å; Q1386-F1390 WeakPolarHBondContact O-CG 3.26Å; Q1386-F1390 PolarHBondContact O-N 2.97Å; Q1386-F1390 VanDerWaalsContact O-N 3.13Å |
| 1387 | L | 74.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -65.3 | -55.6 | -173.4 | -135.2 | 155.5 | 0 | 0 | 0 | 113.4 | F1219 I1356 F1359 T1360 L1363 F1382 L1383 K1389 F1390 V1391 I1394 | F1219-L1387 HydrophobicContact CE2-CD2 3.88Å; F1219-L1387 HydrophobicContact CE2-CG 4.31Å; F1219-L1387 HydrophobicContact CZ-CD2 3.7Å; F1219-L1387 HydrophobicContact CZ-CG 4.35Å; I1356-L1387 HydrophobicContact CG2-CD2 3.94Å; F1359-L1387 HydrophobicContact CD1-CD1 3.67Å; F1359-L1387 HydrophobicContact CD1-CD2 4.12Å; F1359-L1387 HydrophobicContact CD1-CG 4.24Å; F1359-L1387 HydrophobicContact CE1-CD1 3.94Å; F1359-L1387 HydrophobicContact CE1-CG 4.32Å; T1360-L1387 HydrophobicContact CG2-CD2 4.29Å; T1360-L1387 WeakPolarHBondContact OG1-CD1 2.95Å; T1360-L1387 WeakPolarHBondContact OG1-CD2 3.44Å; L1363-L1387 HydrophobicContact CD1-CD1 3.74Å; F1382-L1387 PolarHBondContact O-N 3.03Å; F1382-L1387 VanDerWaalsContact O-N 3.16Å; L1383-L1387 HydrophobicContact CD2-CD1 3.95Å; L1383-L1387 WeakPolarHBondContact O-CB 3.1Å; L1383-L1387 PolarHBondContact O-N 2.67Å; L1387-K1389 PolarHBondContact O-N 3.19Å; L1387-K1389 VanDerWaalsContact O-N 3.14Å; L1387-F1390 PolarHBondContact O-N 3.19Å; L1387-F1390 VanDerWaalsContact O-N 3.15Å; L1387-V1391 PolarHBondContact O-N 3.12Å; L1387-V1391 VanDerWaalsContact O-N 3.12Å; L1387-I1394 HydrophobicContact CD2-CB 4.1Å; L1387-I1394 HydrophobicContact CD2-CD1 4.12Å; L1387-I1394 HydrophobicContact CD2-CG1 4.42Å; L1387-I1394 HydrophobicContact CD2-CG2 3.56Å |
| 1388 | I | 70.7 | Confident | 72.9 | Confident | 10.8 Ų | 10.8 | 25.4 Ų | 25.4 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.8 | -31.3 | 179.3 | -68.9 | 174 | 0 | 0 | 0 | 111.3 | L1383 F1390 V1391 I1394 I1472 H1476 E1481 | L1383-I1388 HydrophobicContact CD2-CD1 3.62Å; L1383-I1388 HydrophobicContact CD2-CG1 4.3Å; L1383-I1388 VanDerWaalsContact O-CG1 3.31Å; L1383-I1388 WeakPolarHBondContact O-CG1 3.38Å; L1383-I1388 PolarHBondContact O-N 3.16Å; I1388-F1390 VanDerWaalsContact C-N 3.33Å; I1388-F1390 PolarHBondContact O-N 3.2Å; I1388-V1391 CarbonylContact O-C 3.55Å; I1388-I1394 HydrophobicContact CG1-CG2 4.46Å; I1388-I1472 HydrophobicContact CD1-CG1 4.12Å; I1388-I1472 HydrophobicContact CD1-CG2 4.14Å; I1388-H1476 WeakPolarHBondContact CG2-CE1 3.42Å; I1388-E1481 HydrophobicContact CG2-CG 4.21Å |
| 1389 | K | 69.1 | Low | 73 | Confident | 93.2 Ų | 93.2 | 24.5 Ų | 24.5 | 41% | 0.405 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -67.9 | -37.4 | 178.4 | -173.8 | -177.6 | 177 | -180 | 0 | 113 | A1385 Q1386 L1387 Y1482 | A1385-K1389 WeakPolarHBondContact O-CD 3.45Å; Q1386-K1389 WeakPolarHBondContact O-CB 3.4Å; Q1386-K1389 PolarHBondContact O-N 3.19Å; L1387-K1389 PolarHBondContact O-N 3.19Å; L1387-K1389 VanDerWaalsContact O-N 3.14Å; K1389-Y1482 HydrophobicContact CB-CE1 4.48Å; K1389-Y1482 VanDerWaalsContact CE-OH 3.28Å; K1389-Y1482 WeakPolarHBondContact CE-OH 3.25Å; K1389-Y1482 HydrophobicContact CG-CE1 4.04Å; K1389-Y1482 HydrophobicContact CG-CE2 3.84Å; K1389-Y1482 WeakPolarHBondContact CG-OH 3.45Å; K1389-Y1482 WeakPolarHBondContact O-CE1 3.42Å |
| 1390 | F | 67.7 | Low | 72.9 | Confident | 18.8 Ų | 18.8 | 28.9 Ų | 28.9 | 8% | 0.082 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -96.2 | -24.4 | -174.6 | -60.8 | -47.3 | 0 | 0 | 0 | 113.8 | F1219 L1221 R1325 I1349 I1350 Q1386 L1387 I1388 | F1219-F1390 HydrophobicContact CD1-CB 4.28Å; F1219-F1390 HydrophobicContact CD1-CD2 4.43Å; F1219-F1390 HydrophobicContact CD2-CD2 4.33Å; F1219-F1390 HydrophobicContact CE1-CB 4.09Å; F1219-F1390 HydrophobicContact CE2-CD2 4.44Å; F1219-F1390 HydrophobicContact CG-CD2 4.35Å; F1219-F1390 HydrophobicContact CZ-CB 4.39Å; L1221-F1390 HydrophobicContact CD1-CE2 4.42Å; L1221-F1390 HydrophobicContact CD2-CE2 4.45Å; L1221-F1390 HydrophobicContact CD2-CZ 4.28Å; R1325-F1390 VanDerWaalsContact NH1-CD1 3.26Å; R1325-F1390 VanDerWaalsContact NH1-CE1 3.29Å; R1325-F1390 VanDerWaalsContact NH2-CD1 3.31Å; I1349-F1390 WeakPolarHBondContact CA-O 2.97Å; I1350-F1390 HydrophobicContact CD1-CB 4.42Å; I1350-F1390 PolarHBondContact N-O 3.05Å; I1350-F1390 VanDerWaalsContact N-O 3.14Å; Q1386-F1390 HydrophobicContact CB-CD2 4.38Å; Q1386-F1390 HydrophobicContact CB-CE2 4.15Å; Q1386-F1390 HydrophobicContact CG-CE2 4.34Å; Q1386-F1390 WeakPolarHBondContact O-CD2 3.37Å; Q1386-F1390 WeakPolarHBondContact O-CE2 3.48Å; Q1386-F1390 WeakPolarHBondContact O-CG 3.26Å; Q1386-F1390 PolarHBondContact O-N 2.97Å; Q1386-F1390 VanDerWaalsContact O-N 3.13Å; L1387-F1390 PolarHBondContact O-N 3.19Å; L1387-F1390 VanDerWaalsContact O-N 3.15Å; I1388-F1390 VanDerWaalsContact C-N 3.33Å; I1388-F1390 PolarHBondContact O-N 3.2Å |
| 1391 | V | 69.2 | Low | 72.9 | Confident | 0.2 Ų | 0.2 | 31.5 Ų | 31.5 | 0% | 0.001 | 16% | 0.16 | C | C | . | . | trans | -127.2 | 93.7 | -177.5 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | F1219 I1350 P1352 I1356 L1387 I1388 S1393 I1394 | F1219-V1391 HydrophobicContact CE1-CG2 3.58Å; F1219-V1391 VanDerWaalsContact CE1-CG2 3.45Å; F1219-V1391 HydrophobicContact CZ-CG2 3.89Å; I1350-V1391 HydrophobicContact CB-CG2 4.25Å; I1350-V1391 HydrophobicContact CG2-CG2 4.44Å; I1350-V1391 WeakPolarHBondContact O-CG1 3.25Å; P1352-V1391 HydrophobicContact CB-CG1 4.13Å; P1352-V1391 HydrophobicContact CG-CG1 4.43Å; I1356-V1391 HydrophobicContact CD1-CG2 4.3Å; I1356-V1391 HydrophobicContact CG2-CG1 4.46Å; I1356-V1391 HydrophobicContact CG2-CG2 4.16Å; L1387-V1391 PolarHBondContact O-N 3.12Å; L1387-V1391 VanDerWaalsContact O-N 3.12Å; I1388-V1391 CarbonylContact O-C 3.55Å; V1391-S1393 VanDerWaalsContact C-N 3.33Å; V1391-S1393 WeakPolarHBondContact CG1-OG 3.42Å; V1391-S1393 PolarHBondContact O-N 3.28Å; V1391-S1393 VanDerWaalsContact O-N 3.15Å; V1391-I1394 HydrophobicContact CB-CB 4.35Å; V1391-I1394 HydrophobicContact CB-CD1 3.73Å; V1391-I1394 VanDerWaalsContact CB-CD1 3.49Å; V1391-I1394 HydrophobicContact CB-CG1 4.09Å; V1391-I1394 HydrophobicContact CG1-CB 4.15Å; V1391-I1394 HydrophobicContact CG1-CD1 3.42Å; V1391-I1394 VanDerWaalsContact CG1-CD1 3.44Å; V1391-I1394 HydrophobicContact CG1-CG1 3.55Å; V1391-I1394 VanDerWaalsContact CG1-CG1 3.47Å; V1391-I1394 HydrophobicContact CG2-CD1 4.2Å; V1391-I1394 PolarHBondContact O-N 2.97Å; V1391-I1394 VanDerWaalsContact O-N 3.08Å | ||
| 1392 | P | 63.6 | Low | 73.1 | Confident | 16.4 Ų | 16.4 | 27.2 Ų | 27.2 | 11% | 0.106 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57 | -58.3 | 179.2 | -25.5 | 35.1 | 0 | 0 | 0 | 112.6 | W1083 I1349 I1350 I1394 G1395 E1484 | W1083-P1392 HydrophobicContact CZ2-CB 4.25Å; W1083-P1392 HydrophobicContact CZ2-CG 3.91Å; W1083-P1392 VanDerWaalsContact NE1-CB 3.27Å; I1349-P1392 HydrophobicContact CB-CG 4.2Å; I1349-P1392 HydrophobicContact CD1-CG 4.37Å; I1349-P1392 HydrophobicContact CG1-CG 4.27Å; I1349-P1392 HydrophobicContact CG2-CG 3.55Å; I1350-P1392 VanDerWaalsContact O-CD 3.31Å; I1350-P1392 WeakPolarHBondContact O-CD 3.35Å; P1392-I1394 PolarHBondContact O-N 3.28Å; P1392-I1394 VanDerWaalsContact O-N 3.14Å; P1392-G1395 PolarHBondContact O-N 2.95Å; P1392-E1484 WeakPolarHBondContact CA-OE1 3.41Å; P1392-E1484 HydrophobicContact CB-CG 4.06Å; P1392-E1484 VanDerWaalsContact CB-OE1 3.3Å; P1392-E1484 WeakPolarHBondContact CB-OE1 3.43Å |
| 1393 | S | 66 | Low | 73.3 | Confident | 54.2 Ų | 54.2 | 26.9 Ų | 26.9 | 38% | 0.379 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -21.8 | -13.8 | 178.6 | 69.2 | 0 | 0 | 0 | 0 | 115.5 | P1352 V1391 G1395 T1396 R1397 E1484 | P1352-S1393 WeakPolarHBondContact CD-OG 3.37Å; P1352-S1393 WeakPolarHBondContact CG-OG 3.4Å; V1391-S1393 VanDerWaalsContact C-N 3.33Å; V1391-S1393 WeakPolarHBondContact CG1-OG 3.42Å; V1391-S1393 PolarHBondContact O-N 3.28Å; V1391-S1393 VanDerWaalsContact O-N 3.15Å; S1393-G1395 VanDerWaalsContact C-N 3.34Å; S1393-T1396 WeakPolarHBondContact CA-OG1 3.3Å; S1393-T1396 PolarHBondContact O-N 3.02Å; S1393-T1396 PolarHBondContact O-OG1 3.3Å; S1393-T1396 VanDerWaalsContact O-OG1 3.11Å; S1393-R1397 WeakPolarHBondContact O-CB 3.48Å; S1393-R1397 PolarHBondContact O-N 3.11Å; S1393-E1484 VanDerWaalsContact N-CD 3.35Å; S1393-E1484 PolarHBondContact N-OE1 3.17Å; S1393-E1484 PolarHBondContact N-OE2 3.25Å; S1393-E1484 VanDerWaalsContact N-OE2 3.08Å |
| 1394 | I | 70.8 | Confident | 73.4 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -77.2 | -33.4 | 173.5 | -72.7 | -178.4 | 0 | 0 | 0 | 111.1 | P1352 I1356 T1360 L1387 I1388 V1391 P1392 T1396 R1397 V1398 | P1352-I1394 HydrophobicContact CB-CD1 4.08Å; P1352-I1394 HydrophobicContact CB-CG1 3.98Å; I1356-I1394 HydrophobicContact CB-CD1 4.3Å; I1356-I1394 HydrophobicContact CG2-CD1 3.29Å; T1360-I1394 HydrophobicContact CG2-CG2 3.5Å; L1387-I1394 HydrophobicContact CD2-CB 4.1Å; L1387-I1394 HydrophobicContact CD2-CD1 4.12Å; L1387-I1394 HydrophobicContact CD2-CG1 4.42Å; L1387-I1394 HydrophobicContact CD2-CG2 3.56Å; I1388-I1394 HydrophobicContact CG1-CG2 4.46Å; V1391-I1394 HydrophobicContact CB-CB 4.35Å; V1391-I1394 HydrophobicContact CB-CD1 3.73Å; V1391-I1394 VanDerWaalsContact CB-CD1 3.49Å; V1391-I1394 HydrophobicContact CB-CG1 4.09Å; V1391-I1394 HydrophobicContact CG1-CB 4.15Å; V1391-I1394 HydrophobicContact CG1-CD1 3.42Å; V1391-I1394 VanDerWaalsContact CG1-CD1 3.44Å; V1391-I1394 HydrophobicContact CG1-CG1 3.55Å; V1391-I1394 VanDerWaalsContact CG1-CG1 3.47Å; V1391-I1394 HydrophobicContact CG2-CD1 4.2Å; V1391-I1394 PolarHBondContact O-N 2.97Å; V1391-I1394 VanDerWaalsContact O-N 3.08Å; P1392-I1394 PolarHBondContact O-N 3.28Å; P1392-I1394 VanDerWaalsContact O-N 3.14Å; I1394-T1396 VanDerWaalsContact C-N 3.31Å; I1394-T1396 PolarHBondContact O-N 3.01Å; I1394-R1397 PolarHBondContact O-N 3.17Å; I1394-R1397 VanDerWaalsContact O-N 3.12Å; I1394-V1398 HydrophobicContact CG2-CG2 3.89Å; I1394-V1398 WeakPolarHBondContact O-CB 3.37Å; I1394-V1398 VanDerWaalsContact O-CG2 3.28Å; I1394-V1398 WeakPolarHBondContact O-CG2 3.33Å; I1394-V1398 PolarHBondContact O-N 2.92Å |
| 1395 | G | 71.8 | Confident | 73.7 | Confident | 1.2 Ų | 1.2 | 32.9 Ų | 32.9 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.4 | -45.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1392 S1393 R1397 V1398 V1399 | P1392-G1395 PolarHBondContact O-N 2.95Å; S1393-G1395 VanDerWaalsContact C-N 3.34Å; G1395-R1397 PolarHBondContact O-N 3.32Å; G1395-V1398 PolarHBondContact O-N 3.25Å; G1395-V1399 WeakPolarHBondContact O-CB 3.4Å; G1395-V1399 VanDerWaalsContact O-CG2 3.29Å; G1395-V1399 WeakPolarHBondContact O-CG2 3.4Å; G1395-V1399 PolarHBondContact O-N 3.11Å |
| 1396 | T | 70.9 | Confident | 74.4 | Confident | 28.4 Ų | 28.4 | 32.1 Ų | 32.1 | 17% | 0.174 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 176 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | S1393 I1394 V1398 V1399 E1400 E1484 L1485 L1488 N1489 L1492 | S1393-T1396 WeakPolarHBondContact CA-OG1 3.3Å; S1393-T1396 PolarHBondContact O-N 3.02Å; S1393-T1396 PolarHBondContact O-OG1 3.3Å; S1393-T1396 VanDerWaalsContact O-OG1 3.11Å; I1394-T1396 VanDerWaalsContact C-N 3.31Å; I1394-T1396 PolarHBondContact O-N 3.01Å; T1396-V1398 PolarHBondContact O-N 3.08Å; T1396-V1399 PolarHBondContact O-N 3.2Å; T1396-E1400 VanDerWaalsContact O-CB 3.3Å; T1396-E1400 WeakPolarHBondContact O-CB 3.34Å; T1396-E1400 PolarHBondContact O-N 2.98Å; T1396-E1484 HydrophobicContact CG2-CB 4.33Å; T1396-L1485 HydrophobicContact CG2-CD2 4.35Å; T1396-L1485 HydrophobicContact CG2-CG 4.47Å; T1396-L1488 HydrophobicContact CG2-CD2 3.97Å; T1396-N1489 HydrophobicContact CG2-CB 4.43Å; T1396-L1492 HydrophobicContact CG2-CD1 4.25Å; T1396-L1492 HydrophobicContact CG2-CD2 4.22Å; T1396-L1492 VanDerWaalsContact O-CD2 3.27Å; T1396-L1492 WeakPolarHBondContact O-CD2 3.41Å |
| 1397 | R | 73.5 | Confident | 74.7 | Confident | 113.8 Ų | 113.8 | 33.5 Ų | 33.5 | 43% | 0.429 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 178.5 | 179.3 | 176.1 | 167.5 | 160.2 | -3.6 | 112.8 | V1357 D1361 S1393 I1394 G1395 E1400 S1401 | V1357-R1397 VanDerWaalsContact CG1-CZ 3.46Å; V1357-R1397 VanDerWaalsContact CG1-NH1 3.29Å; V1357-R1397 VanDerWaalsContact CG1-NH2 3.31Å; D1361-R1397 IonicContact OD1-CZ 3.21Å; D1361-R1397 IonicContact OD1-NE 3.53Å; D1361-R1397 IonicContact OD1-NH2 3.13Å; D1361-R1397 PolarHBondContact OD1-NH2 3.26Å; D1361-R1397 IonicContact OD2-CZ 3.71Å; D1361-R1397 IonicContact OD2-NH2 3.37Å; D1361-R1397 PolarHBondContact OD2-NH2 3.04Å; S1393-R1397 WeakPolarHBondContact O-CB 3.48Å; S1393-R1397 PolarHBondContact O-N 3.11Å; I1394-R1397 PolarHBondContact O-N 3.17Å; I1394-R1397 VanDerWaalsContact O-N 3.12Å; G1395-R1397 PolarHBondContact O-N 3.32Å; R1397-E1400 PolarHBondContact O-N 3.08Å; R1397-S1401 WeakPolarHBondContact O-CB 3.13Å; R1397-S1401 PolarHBondContact O-N 3.17Å |
| 1398 | V | 77.3 | Confident | 74.9 | Confident | 4.4 Ų | 4.4 | 37.5 Ų | 37.5 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.3 | -47 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 110 | T1360 L1383 I1394 G1395 T1396 E1400 S1401 L1402 I1472 | T1360-V1398 HydrophobicContact CG2-CG2 3.27Å; L1383-V1398 HydrophobicContact CD1-CG1 4.16Å; L1383-V1398 HydrophobicContact CD1-CG2 4.48Å; L1383-V1398 HydrophobicContact CD2-CG1 4.14Å; L1383-V1398 HydrophobicContact CD2-CG2 4.49Å; I1394-V1398 HydrophobicContact CG2-CG2 3.89Å; I1394-V1398 WeakPolarHBondContact O-CB 3.37Å; I1394-V1398 VanDerWaalsContact O-CG2 3.28Å; I1394-V1398 WeakPolarHBondContact O-CG2 3.33Å; I1394-V1398 PolarHBondContact O-N 2.92Å; G1395-V1398 PolarHBondContact O-N 3.25Å; T1396-V1398 PolarHBondContact O-N 3.08Å; V1398-E1400 VanDerWaalsContact C-N 3.32Å; V1398-E1400 PolarHBondContact O-N 3.07Å; V1398-S1401 PolarHBondContact O-N 3.34Å; V1398-L1402 HydrophobicContact CG1-CD1 3.79Å; V1398-L1402 HydrophobicContact CG1-CG 4.26Å; V1398-L1402 WeakPolarHBondContact O-CB 3.38Å; V1398-L1402 VanDerWaalsContact O-CG 3.26Å; V1398-L1402 WeakPolarHBondContact O-CG 3.35Å; V1398-L1402 PolarHBondContact O-N 3.06Å; V1398-I1472 HydrophobicContact CG1-CD1 3.83Å |
| 1399 | V | 78.3 | Confident | 75 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 177 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | G1395 T1396 S1401 L1402 V1403 L1469 I1472 Y1473 L1485 L1488 L1492 F1496 | G1395-V1399 WeakPolarHBondContact O-CB 3.4Å; G1395-V1399 VanDerWaalsContact O-CG2 3.29Å; G1395-V1399 WeakPolarHBondContact O-CG2 3.4Å; G1395-V1399 PolarHBondContact O-N 3.11Å; T1396-V1399 PolarHBondContact O-N 3.2Å; V1399-S1401 PolarHBondContact O-N 3.13Å; V1399-L1402 PolarHBondContact O-N 3.14Å; V1399-V1403 HydrophobicContact CG1-CG2 4.13Å; V1399-V1403 VanDerWaalsContact O-CB 3.27Å; V1399-V1403 WeakPolarHBondContact O-CB 3.38Å; V1399-V1403 WeakPolarHBondContact O-CG2 3.36Å; V1399-V1403 PolarHBondContact O-N 3.14Å; V1399-L1469 HydrophobicContact CB-CD2 4.47Å; V1399-L1469 HydrophobicContact CG1-CD2 4.17Å; V1399-L1469 HydrophobicContact CG2-CD2 4.34Å; V1399-I1472 HydrophobicContact CG2-CD1 4.41Å; V1399-I1472 HydrophobicContact CG2-CG2 3.92Å; V1399-Y1473 HydrophobicContact CG1-CE2 4.35Å; V1399-Y1473 WeakPolarHBondContact CG1-OH 3.28Å; V1399-L1485 HydrophobicContact CB-CD1 4.48Å; V1399-L1485 HydrophobicContact CB-CD2 4.09Å; V1399-L1485 HydrophobicContact CG1-CD1 4.28Å; V1399-L1485 HydrophobicContact CG1-CD2 3.94Å; V1399-L1485 HydrophobicContact CG2-CD1 3.91Å; V1399-L1485 HydrophobicContact CG2-CD2 4.11Å; V1399-L1488 HydrophobicContact CG2-CD2 4.34Å; V1399-L1492 HydrophobicContact CB-CD2 4.11Å; V1399-L1492 HydrophobicContact CG1-CB 4.38Å; V1399-L1492 HydrophobicContact CG1-CD1 4.23Å; V1399-L1492 HydrophobicContact CG1-CD2 3.97Å; V1399-L1492 HydrophobicContact CG1-CG 3.93Å; V1399-F1496 HydrophobicContact CG1-CB 4.46Å |
| 1400 | E | 80.2 | Confident | 75 | Confident | 94.6 Ų | 94.6 | 34.2 Ų | 34.2 | 44% | 0.442 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 175.9 | -174 | 178.5 | -174.2 | 0 | 0 | 112.2 | T1396 R1397 V1398 L1402 V1403 N1404 L1492 | T1396-E1400 VanDerWaalsContact O-CB 3.3Å; T1396-E1400 WeakPolarHBondContact O-CB 3.34Å; T1396-E1400 PolarHBondContact O-N 2.98Å; R1397-E1400 PolarHBondContact O-N 3.08Å; V1398-E1400 VanDerWaalsContact C-N 3.32Å; V1398-E1400 PolarHBondContact O-N 3.07Å; E1400-L1402 VanDerWaalsContact C-N 3.33Å; E1400-L1402 PolarHBondContact O-N 3.09Å; E1400-V1403 PolarHBondContact O-N 3.05Å; E1400-N1404 VanDerWaalsContact O-CB 3.3Å; E1400-N1404 WeakPolarHBondContact O-CB 3.34Å; E1400-N1404 PolarHBondContact O-N 3.25Å; E1400-N1404 PolarHBondContact O-ND2 3.28Å; E1400-L1492 HydrophobicContact CB-CD1 3.89Å; E1400-L1492 HydrophobicContact CB-CD2 4.26Å; E1400-L1492 HydrophobicContact CG-CD1 4.34Å; E1400-L1492 HydrophobicContact CG-CD2 4.26Å |
| 1401 | S | 79.9 | Confident | 75.2 | Confident | 60.2 Ų | 60.2 | 36.2 Ų | 36.2 | 42% | 0.421 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 112.5 | R1397 V1398 V1399 N1404 R1405 | R1397-S1401 WeakPolarHBondContact O-CB 3.13Å; R1397-S1401 PolarHBondContact O-N 3.17Å; V1398-S1401 PolarHBondContact O-N 3.34Å; V1399-S1401 PolarHBondContact O-N 3.13Å; S1401-N1404 PolarHBondContact O-N 3.05Å; S1401-R1405 WeakPolarHBondContact O-CB 3.32Å; S1401-R1405 PolarHBondContact O-N 2.97Å; S1401-R1405 VanDerWaalsContact O-N 3.11Å |
| 1402 | L | 82.5 | Confident | 75.1 | Confident | 7.2 Ų | 7.2 | 39.7 Ų | 39.7 | 4% | 0.038 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69 | -38.6 | 178.6 | -66.9 | 174.8 | 0 | 0 | 0 | 111.9 | T1368 V1398 V1399 E1400 R1405 L1406 T1465 A1468 L1469 I1472 | T1368-L1402 HydrophobicContact CG2-CD2 3.73Å; V1398-L1402 HydrophobicContact CG1-CD1 3.79Å; V1398-L1402 HydrophobicContact CG1-CG 4.26Å; V1398-L1402 WeakPolarHBondContact O-CB 3.38Å; V1398-L1402 VanDerWaalsContact O-CG 3.26Å; V1398-L1402 WeakPolarHBondContact O-CG 3.35Å; V1398-L1402 PolarHBondContact O-N 3.06Å; V1399-L1402 PolarHBondContact O-N 3.14Å; E1400-L1402 VanDerWaalsContact C-N 3.33Å; E1400-L1402 PolarHBondContact O-N 3.09Å; L1402-R1405 WeakPolarHBondContact O-CB 3.32Å; L1402-R1405 PolarHBondContact O-N 3.15Å; L1402-L1406 WeakPolarHBondContact O-CG 3.39Å; L1402-L1406 PolarHBondContact O-N 3.36Å; L1402-L1406 VanDerWaalsContact O-N 3.11Å; L1402-T1465 HydrophobicContact CB-CG2 4.06Å; L1402-T1465 HydrophobicContact CD2-CG2 4.08Å; L1402-T1465 WeakPolarHBondContact O-CG2 3.07Å; L1402-A1468 HydrophobicContact CD1-CB 4.3Å; L1402-L1469 HydrophobicContact CB-CD1 4.14Å; L1402-L1469 HydrophobicContact CB-CD2 3.83Å; L1402-L1469 HydrophobicContact CB-CG 3.97Å; L1402-L1469 HydrophobicContact CD1-CD2 3.95Å; L1402-L1469 HydrophobicContact CD1-CG 4.05Å; L1402-L1469 HydrophobicContact CG-CD2 4.48Å; L1402-I1472 HydrophobicContact CD1-CD1 3.76Å |
| 1403 | V | 82.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | V1399 E1400 R1405 L1406 N1407 L1469 Q1495 F1496 S1499 | V1399-V1403 HydrophobicContact CG1-CG2 4.13Å; V1399-V1403 VanDerWaalsContact O-CB 3.27Å; V1399-V1403 WeakPolarHBondContact O-CB 3.38Å; V1399-V1403 WeakPolarHBondContact O-CG2 3.36Å; V1399-V1403 PolarHBondContact O-N 3.14Å; E1400-V1403 PolarHBondContact O-N 3.05Å; V1403-R1405 VanDerWaalsContact C-N 3.32Å; V1403-R1405 PolarHBondContact O-N 3.27Å; V1403-L1406 WeakPolarHBondContact O-CB 3.34Å; V1403-L1406 PolarHBondContact O-N 3.08Å; V1403-L1406 VanDerWaalsContact O-N 3.15Å; V1403-N1407 PolarHBondContact O-N 3.25Å; V1403-N1407 PolarHBondContact O-ND2 3.22Å; V1403-L1469 HydrophobicContact CG2-CD1 4.21Å; V1403-L1469 HydrophobicContact CG2-CD2 4.28Å; V1403-Q1495 HydrophobicContact CG1-CB 4.13Å; V1403-F1496 HydrophobicContact CG2-CB 3.82Å; V1403-F1496 HydrophobicContact CG2-CD2 4.26Å; V1403-F1496 HydrophobicContact CG2-CG 4.42Å; V1403-S1499 WeakPolarHBondContact CG1-OG 3.42Å |
| 1404 | N | 81.8 | Confident | 75.3 | Confident | 71.2 Ų | 71.2 | 42 Ų | 42 | 38% | 0.381 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 174.6 | -74.1 | -20.6 | 0 | 0 | 0 | 111.4 | E1400 S1401 L1406 N1407 N1408 | E1400-N1404 VanDerWaalsContact O-CB 3.3Å; E1400-N1404 WeakPolarHBondContact O-CB 3.34Å; E1400-N1404 PolarHBondContact O-N 3.25Å; E1400-N1404 PolarHBondContact O-ND2 3.28Å; S1401-N1404 PolarHBondContact O-N 3.05Å; N1404-L1406 VanDerWaalsContact C-N 3.33Å; N1404-L1406 PolarHBondContact O-N 3.33Å; N1404-N1407 PolarHBondContact O-N 3.17Å; N1404-N1408 WeakPolarHBondContact O-CB 3.35Å; N1404-N1408 VanDerWaalsContact O-CG 3.28Å; N1404-N1408 PolarHBondContact O-N 3.18Å; N1404-N1408 VanDerWaalsContact O-N 3.08Å; N1404-N1408 PolarHBondContact O-ND2 3.31Å |
| 1405 | R | 78.2 | Confident | 75.2 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 26% | 0.264 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 174 | -171.1 | 172.1 | -179 | 174.4 | -7.9 | 112.3 | T1368 S1401 L1402 V1403 N1407 N1408 I1409 | T1368-R1405 PolarHBondContact OG1-NH1 3.25Å; S1401-R1405 WeakPolarHBondContact O-CB 3.32Å; S1401-R1405 PolarHBondContact O-N 2.97Å; S1401-R1405 VanDerWaalsContact O-N 3.11Å; L1402-R1405 WeakPolarHBondContact O-CB 3.32Å; L1402-R1405 PolarHBondContact O-N 3.15Å; V1403-R1405 VanDerWaalsContact C-N 3.32Å; V1403-R1405 PolarHBondContact O-N 3.27Å; R1405-N1407 VanDerWaalsContact C-N 3.33Å; R1405-N1407 PolarHBondContact O-N 3.32Å; R1405-N1408 PolarHBondContact O-N 3.34Å; R1405-I1409 WeakPolarHBondContact O-CG1 3.39Å; R1405-I1409 PolarHBondContact O-N 3.34Å |
| 1406 | L | 80.9 | Confident | 74.8 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | 175 | -85.7 | 165.8 | 0 | 0 | 0 | 112.5 | L1402 V1403 N1404 N1408 I1409 R1462 T1465 I1466 L1469 L1500 Q1503 | L1402-L1406 WeakPolarHBondContact O-CG 3.39Å; L1402-L1406 PolarHBondContact O-N 3.36Å; L1402-L1406 VanDerWaalsContact O-N 3.11Å; V1403-L1406 WeakPolarHBondContact O-CB 3.34Å; V1403-L1406 PolarHBondContact O-N 3.08Å; V1403-L1406 VanDerWaalsContact O-N 3.15Å; N1404-L1406 VanDerWaalsContact C-N 3.33Å; N1404-L1406 PolarHBondContact O-N 3.33Å; L1406-N1408 VanDerWaalsContact C-N 3.33Å; L1406-N1408 PolarHBondContact O-N 2.88Å; L1406-I1409 HydrophobicContact CB-CD1 4.36Å; L1406-I1409 HydrophobicContact CD1-CD1 3.91Å; L1406-I1409 HydrophobicContact CD2-CD1 3.78Å; L1406-I1409 WeakPolarHBondContact O-CB 3.26Å; L1406-I1409 VanDerWaalsContact O-CD1 3.29Å; L1406-I1409 WeakPolarHBondContact O-CD1 3.5Å; L1406-I1409 WeakPolarHBondContact O-CG1 3.4Å; L1406-I1409 PolarHBondContact O-N 2.86Å; L1406-R1462 HydrophobicContact CD1-CG 4.27Å; L1406-R1462 HydrophobicContact CD2-CG 4.38Å; L1406-T1465 HydrophobicContact CB-CG2 4.39Å; L1406-T1465 HydrophobicContact CD1-CG2 4.3Å; L1406-T1465 HydrophobicContact CD2-CG2 3.76Å; L1406-T1465 HydrophobicContact CG-CG2 3.71Å; L1406-I1466 HydrophobicContact CD1-CD1 4.31Å; L1406-I1466 HydrophobicContact CD1-CG1 4.19Å; L1406-I1466 HydrophobicContact CD2-CG1 4.14Å; L1406-L1469 HydrophobicContact CD1-CD1 3.58Å; L1406-L1469 HydrophobicContact CG-CD1 4.47Å; L1406-L1500 HydrophobicContact CD1-CD2 4.14Å; L1406-L1500 HydrophobicContact CD2-CD2 4.25Å; L1406-Q1503 HydrophobicContact CD1-CG 3.9Å; L1406-Q1503 HydrophobicContact CD2-CG 4.23Å; L1406-Q1503 HydrophobicContact CG-CG 3.86Å; L1406-Q1503 PolarHBondContact O-NE2 3.16Å |
| 1407 | N | 79.7 | Confident | 74.3 | Confident | 51.2 Ų | 51.2 | 50.6 Ų | 50.6 | 27% | 0.274 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.5 | -32.9 | 178.3 | -75.3 | -38.7 | 0 | 0 | 0 | 112.9 | V1403 N1404 R1405 I1409 S1499 | V1403-N1407 PolarHBondContact O-N 3.25Å; V1403-N1407 PolarHBondContact O-ND2 3.22Å; N1404-N1407 PolarHBondContact O-N 3.17Å; R1405-N1407 VanDerWaalsContact C-N 3.33Å; R1405-N1407 PolarHBondContact O-N 3.32Å; N1407-I1409 VanDerWaalsContact C-N 3.31Å; N1407-I1409 PolarHBondContact O-N 3.35Å; N1407-S1499 PolarHBondContact ND2-OG 3.15Å; N1407-S1499 WeakPolarHBondContact OD1-CB 3.41Å; N1407-S1499 PolarHBondContact OD1-OG 2.94Å; N1407-S1499 VanDerWaalsContact OD1-OG 3.13Å |
| 1408 | N | 77.5 | Confident | 73.7 | Confident | 84.8 Ų | 84.8 | 49.1 Ų | 49.1 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -1.5 | -178.2 | -66.8 | -12.6 | 0 | 0 | 0 | 114.1 | N1404 R1405 L1406 T1410 S1411 D1412 | N1404-N1408 WeakPolarHBondContact O-CB 3.35Å; N1404-N1408 VanDerWaalsContact O-CG 3.28Å; N1404-N1408 PolarHBondContact O-N 3.18Å; N1404-N1408 VanDerWaalsContact O-N 3.08Å; N1404-N1408 PolarHBondContact O-ND2 3.31Å; R1405-N1408 PolarHBondContact O-N 3.34Å; L1406-N1408 VanDerWaalsContact C-N 3.33Å; L1406-N1408 PolarHBondContact O-N 2.88Å; N1408-T1410 VanDerWaalsContact C-N 3.3Å; N1408-T1410 PolarHBondContact O-N 3.25Å; N1408-S1411 WeakPolarHBondContact CA-OG 3.29Å; N1408-S1411 PolarHBondContact O-N 3.12Å; N1408-S1411 VanDerWaalsContact O-N 3.17Å; N1408-S1411 PolarHBondContact O-OG 3.1Å; N1408-D1412 WeakPolarHBondContact O-CB 3.23Å; N1408-D1412 VanDerWaalsContact O-CG 3.28Å; N1408-D1412 PolarHBondContact O-N 3.4Å |
| 1409 | I | 73.2 | Confident | 72.3 | Confident | 12.8 Ų | 12.8 | 50.8 Ų | 50.8 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.9 | -40.2 | -179.4 | -73.9 | 170.8 | 0 | 0 | 0 | 112.1 | R1405 L1406 N1407 S1411 D1412 I1413 I1458 R1462 | R1405-I1409 WeakPolarHBondContact O-CG1 3.39Å; R1405-I1409 PolarHBondContact O-N 3.34Å; L1406-I1409 HydrophobicContact CB-CD1 4.36Å; L1406-I1409 HydrophobicContact CD1-CD1 3.91Å; L1406-I1409 HydrophobicContact CD2-CD1 3.78Å; L1406-I1409 WeakPolarHBondContact O-CB 3.26Å; L1406-I1409 VanDerWaalsContact O-CD1 3.29Å; L1406-I1409 WeakPolarHBondContact O-CD1 3.5Å; L1406-I1409 WeakPolarHBondContact O-CG1 3.4Å; L1406-I1409 PolarHBondContact O-N 2.86Å; N1407-I1409 VanDerWaalsContact C-N 3.31Å; N1407-I1409 PolarHBondContact O-N 3.35Å; I1409-S1411 VanDerWaalsContact C-N 3.31Å; I1409-S1411 PolarHBondContact O-N 3.22Å; I1409-D1412 WeakPolarHBondContact O-CB 3.41Å; I1409-D1412 PolarHBondContact O-N 3.24Å; I1409-D1412 VanDerWaalsContact O-N 3.17Å; I1409-I1413 HydrophobicContact CG2-CD1 3.82Å; I1409-I1413 HydrophobicContact CG2-CG1 4.38Å; I1409-I1413 WeakPolarHBondContact O-CD1 3.28Å; I1409-I1413 VanDerWaalsContact O-CG1 3.26Å; I1409-I1413 WeakPolarHBondContact O-CG1 3.34Å; I1409-I1413 PolarHBondContact O-N 3.22Å; I1409-I1458 HydrophobicContact CG2-CG2 4.12Å; I1409-R1462 HydrophobicContact CD1-CB 3.98Å; I1409-R1462 HydrophobicContact CD1-CG 3.82Å; I1409-R1462 VanDerWaalsContact CD1-CG 3.49Å; I1409-R1462 HydrophobicContact CG1-CG 4.27Å; I1409-R1462 VanDerWaalsContact CG2-NH2 3.32Å |
| 1410 | T | 68.8 | Low | 70.7 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69 | -36.7 | -178.6 | -42.5 | 0 | 0 | 0 | 0 | 112 | N1408 D1412 K1414 N1506 I1513 | N1408-T1410 VanDerWaalsContact C-N 3.3Å; N1408-T1410 PolarHBondContact O-N 3.25Å; T1410-D1412 VanDerWaalsContact C-N 3.34Å; T1410-K1414 WeakPolarHBondContact O-CG 3.39Å; T1410-K1414 PolarHBondContact O-N 3.06Å; T1410-K1414 VanDerWaalsContact O-N 3.1Å; T1410-N1506 HydrophobicContact CG2-CB 4.16Å; T1410-N1506 WeakPolarHBondContact CG2-ND2 3.49Å; T1410-N1506 PolarHBondContact OG1-ND2 3.43Å; T1410-N1506 VanDerWaalsContact OG1-ND2 3.16Å; T1410-I1513 HydrophobicContact CG2-CD1 3.96Å |
| 1411 | S | 71.5 | Confident | 68.6 | Low | 62 Ų | 62 | 57.3 Ų | 57.3 | 43% | 0.434 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 172.2 | 43.3 | 0 | 0 | 0 | 0 | 111.5 | N1408 I1409 I1413 K1414 F1415 | N1408-S1411 WeakPolarHBondContact CA-OG 3.29Å; N1408-S1411 PolarHBondContact O-N 3.12Å; N1408-S1411 VanDerWaalsContact O-N 3.17Å; N1408-S1411 PolarHBondContact O-OG 3.1Å; I1409-S1411 VanDerWaalsContact C-N 3.31Å; I1409-S1411 PolarHBondContact O-N 3.22Å; S1411-I1413 VanDerWaalsContact C-N 3.34Å; S1411-I1413 PolarHBondContact O-N 3.06Å; S1411-K1414 PolarHBondContact O-N 3.03Å; S1411-F1415 VanDerWaalsContact O-CB 3.24Å; S1411-F1415 WeakPolarHBondContact O-CB 3.35Å; S1411-F1415 PolarHBondContact O-N 3.04Å |
| 1412 | D | 67.2 | Low | 66.4 | Low | 73.6 Ų | 73.6 | 57.7 Ų | 57.7 | 39% | 0.394 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.5 | -67.7 | -7 | 0 | 0 | 0 | 111 | N1408 I1409 T1410 F1415 L1416 | N1408-D1412 WeakPolarHBondContact O-CB 3.23Å; N1408-D1412 VanDerWaalsContact O-CG 3.28Å; N1408-D1412 PolarHBondContact O-N 3.4Å; I1409-D1412 WeakPolarHBondContact O-CB 3.41Å; I1409-D1412 PolarHBondContact O-N 3.24Å; I1409-D1412 VanDerWaalsContact O-N 3.17Å; T1410-D1412 VanDerWaalsContact C-N 3.34Å; D1412-F1415 PolarHBondContact O-N 3.06Å; D1412-L1416 VanDerWaalsContact O-CB 3.27Å; D1412-L1416 WeakPolarHBondContact O-CB 3.31Å; D1412-L1416 WeakPolarHBondContact O-CD1 3.4Å; D1412-L1416 VanDerWaalsContact O-CG 3.26Å; D1412-L1416 WeakPolarHBondContact O-CG 3.22Å; D1412-L1416 PolarHBondContact O-N 3.22Å |
| 1413 | I | 66.3 | Low | 64 | Low | 1.4 Ų | 1.4 | 61.8 Ų | 61.8 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 173.7 | -66.8 | 163.8 | 0 | 0 | 0 | 110.3 | I1409 S1411 F1415 L1416 M1417 I1458 E1510 I1513 W1514 | I1409-I1413 HydrophobicContact CG2-CD1 3.82Å; I1409-I1413 HydrophobicContact CG2-CG1 4.38Å; I1409-I1413 WeakPolarHBondContact O-CD1 3.28Å; I1409-I1413 VanDerWaalsContact O-CG1 3.26Å; I1409-I1413 WeakPolarHBondContact O-CG1 3.34Å; I1409-I1413 PolarHBondContact O-N 3.22Å; S1411-I1413 VanDerWaalsContact C-N 3.34Å; S1411-I1413 PolarHBondContact O-N 3.06Å; I1413-F1415 VanDerWaalsContact C-N 3.31Å; I1413-F1415 PolarHBondContact O-N 3.14Å; I1413-L1416 PolarHBondContact O-N 3.12Å; I1413-M1417 HydrophobicContact CG2-CG 4.2Å; I1413-M1417 VanDerWaalsContact O-CB 3.29Å; I1413-M1417 WeakPolarHBondContact O-CB 3.41Å; I1413-M1417 WeakPolarHBondContact O-CG 3.37Å; I1413-M1417 PolarHBondContact O-N 3.09Å; I1413-I1458 HydrophobicContact CB-CD1 4.47Å; I1413-I1458 HydrophobicContact CD1-CG2 4.07Å; I1413-I1458 HydrophobicContact CG1-CD1 3.79Å; I1413-I1458 HydrophobicContact CG1-CG1 4.49Å; I1413-I1458 HydrophobicContact CG1-CG2 4.04Å; I1413-E1510 VanDerWaalsContact CD1-CD 3.47Å; I1413-E1510 HydrophobicContact CD1-CG 3.83Å; I1413-E1510 WeakPolarHBondContact CD1-OE1 3.21Å; I1413-E1510 HydrophobicContact CG2-CG 4.36Å; I1413-I1513 HydrophobicContact CG2-CG2 4.1Å; I1413-W1514 HydrophobicContact CG2-CZ2 4.23Å |
| 1414 | K | 69.3 | Low | 61.7 | Low | 116.8 Ų | 116.8 | 66.5 Ų | 66.5 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 179 | -74.8 | 177.2 | -178 | 178.6 | 0 | 111.6 | T1410 S1411 M1417 S1418 E1509 I1513 | T1410-K1414 WeakPolarHBondContact O-CG 3.39Å; T1410-K1414 PolarHBondContact O-N 3.06Å; T1410-K1414 VanDerWaalsContact O-N 3.1Å; S1411-K1414 PolarHBondContact O-N 3.03Å; K1414-M1417 PolarHBondContact O-N 3.26Å; K1414-S1418 VanDerWaalsContact O-CB 3.28Å; K1414-S1418 WeakPolarHBondContact O-CB 3.39Å; K1414-S1418 PolarHBondContact O-N 3.17Å; K1414-S1418 PolarHBondContact O-OG 3.23Å; K1414-S1418 VanDerWaalsContact O-OG 3.13Å; K1414-E1509 IonicContact NZ-OE1 2.65Å; K1414-E1509 PolarHBondContact NZ-OE1 3.41Å; K1414-I1513 HydrophobicContact CD-CD1 4.42Å; K1414-I1513 VanDerWaalsContact CE-CD1 3.45Å; K1414-I1513 HydrophobicContact CG-CD1 4.23Å |
| 1415 | F | 67.9 | Low | 59.2 | Low | 140.8 Ų | 140.8 | 66.7 Ų | 66.7 | 62% | 0.618 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.3 | -47.4 | 177.2 | 179.9 | -98.5 | 0 | 0 | 0 | 112.1 | S1411 D1412 I1413 M1417 S1418 S1419 F1426 | S1411-F1415 VanDerWaalsContact O-CB 3.24Å; S1411-F1415 WeakPolarHBondContact O-CB 3.35Å; S1411-F1415 PolarHBondContact O-N 3.04Å; D1412-F1415 PolarHBondContact O-N 3.06Å; I1413-F1415 VanDerWaalsContact C-N 3.31Å; I1413-F1415 PolarHBondContact O-N 3.14Å; F1415-M1417 VanDerWaalsContact C-N 3.28Å; F1415-M1417 PolarHBondContact O-N 3.22Å; F1415-S1418 WeakPolarHBondContact CA-OG 3.36Å; F1415-S1418 PolarHBondContact O-N 3.2Å; F1415-S1418 VanDerWaalsContact O-N 3.17Å; F1415-S1418 PolarHBondContact O-OG 3.12Å; F1415-S1418 VanDerWaalsContact O-OG 3.05Å; F1415-S1419 PolarHBondContact O-N 3.2Å; F1415-S1419 VanDerWaalsContact O-N 3.15Å; F1415-F1426 HydrophobicContact CZ-CE2 4.36Å; F1415-F1426 HydrophobicContact CZ-CZ 4.29Å |
| 1416 | L | 62.5 | Low | 56.9 | Low | 49.2 Ų | 49.2 | 71.4 Ų | 71.4 | 26% | 0.258 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65 | -28.8 | 178.1 | -74.7 | 168.1 | 0 | 0 | 0 | 113.1 | D1412 I1413 S1419 I1448 K1454 I1458 | D1412-L1416 VanDerWaalsContact O-CB 3.27Å; D1412-L1416 WeakPolarHBondContact O-CB 3.31Å; D1412-L1416 WeakPolarHBondContact O-CD1 3.4Å; D1412-L1416 VanDerWaalsContact O-CG 3.26Å; D1412-L1416 WeakPolarHBondContact O-CG 3.22Å; D1412-L1416 PolarHBondContact O-N 3.22Å; I1413-L1416 PolarHBondContact O-N 3.12Å; L1416-S1419 PolarHBondContact O-OG 3.4Å; L1416-I1448 HydrophobicContact CD2-CD1 3.87Å; L1416-K1454 WeakPolarHBondContact O-CE 3.26Å; L1416-K1454 PolarHBondContact O-NZ 3.09Å; L1416-I1458 HydrophobicContact CD1-CD1 3.73Å; L1416-I1458 HydrophobicContact CD1-CG1 4.08Å |
| 1417 | M | 60.6 | Low | 54.4 | Low | 25.4 Ų | 25.4 | 78.8 Ų | 78.8 | 13% | 0.125 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -82.4 | -35.4 | 175.7 | -67 | -66.8 | -101.9 | 0 | 0 | 112.1 | I1413 K1414 F1415 S1419 L1451 I1513 W1514 H1517 | I1413-M1417 HydrophobicContact CG2-CG 4.2Å; I1413-M1417 VanDerWaalsContact O-CB 3.29Å; I1413-M1417 WeakPolarHBondContact O-CB 3.41Å; I1413-M1417 WeakPolarHBondContact O-CG 3.37Å; I1413-M1417 PolarHBondContact O-N 3.09Å; K1414-M1417 PolarHBondContact O-N 3.26Å; F1415-M1417 VanDerWaalsContact C-N 3.28Å; F1415-M1417 PolarHBondContact O-N 3.22Å; M1417-S1419 VanDerWaalsContact C-N 3.3Å; M1417-S1419 PolarHBondContact O-N 3.13Å; M1417-L1451 HydrophobicContact CE-CD1 4.12Å; M1417-L1451 HydrophobicContact SD-CD1 3.73Å; M1417-L1451 VanDerWaalsContact SD-CD1 3.6Å; M1417-I1513 HydrophobicContact CB-CG2 4.47Å; M1417-I1513 HydrophobicContact CE-CG2 4.26Å; M1417-I1513 HydrophobicContact CG-CG2 4.35Å; M1417-W1514 HydrophobicContact CE-CB 4.47Å; M1417-W1514 HydrophobicContact CE-CD2 3.67Å; M1417-W1514 HydrophobicContact CE-CE3 3.47Å; M1417-W1514 HydrophobicContact CE-CG 4.06Å; M1417-W1514 HydrophobicContact CE-CH2 4.11Å; M1417-W1514 HydrophobicContact CE-CZ2 3.92Å; M1417-W1514 HydrophobicContact CE-CZ3 3.86Å; M1417-W1514 HydrophobicContact SD-CE3 3.87Å; M1417-W1514 HydrophobicContact SD-CH2 4.17Å; M1417-W1514 HydrophobicContact SD-CZ2 3.87Å; M1417-W1514 HydrophobicContact SD-CZ3 3.59Å; M1417-W1514 VanDerWaalsContact SD-CZ3 3.53Å; M1417-W1514 WeakPolarHBondContact SD-CZ3 3.4Å; M1417-H1517 HydrophobicContact CE-CB 4.03Å |
| 1418 | S | 60.5 | Low | 52 | Low | 82.4 Ų | 82.4 | 80.4 Ų | 80.4 | 58% | 0.576 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -75.8 | -10.7 | 177.6 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | K1414 F1415 P1420 | K1414-S1418 VanDerWaalsContact O-CB 3.28Å; K1414-S1418 WeakPolarHBondContact O-CB 3.39Å; K1414-S1418 PolarHBondContact O-N 3.17Å; K1414-S1418 PolarHBondContact O-OG 3.23Å; K1414-S1418 VanDerWaalsContact O-OG 3.13Å; F1415-S1418 WeakPolarHBondContact CA-OG 3.36Å; F1415-S1418 PolarHBondContact O-N 3.2Å; F1415-S1418 VanDerWaalsContact O-N 3.17Å; F1415-S1418 PolarHBondContact O-OG 3.12Å; F1415-S1418 VanDerWaalsContact O-OG 3.05Å; S1418-P1420 WeakPolarHBondContact O-CD 3.28Å; S1418-P1420 VanDerWaalsContact O-CG 3.3Å; S1418-P1420 WeakPolarHBondContact O-CG 3.25Å; S1418-P1420 VanDerWaalsContact O-N 3.13Å |
| 1419 | S | 49.2 | Very low | 49.7 | Very low | 40.2 Ų | 40.2 | 83.8 Ų | 83.8 | 28% | 0.281 | 48% | 0.475 | S | S | . | . | trans | -80.5 | 96.7 | 176.9 | 93.1 | 0 | 0 | 0 | 0 | 110.6 | F1415 L1416 M1417 H1421 S1422 K1454 | F1415-S1419 PolarHBondContact O-N 3.2Å; F1415-S1419 VanDerWaalsContact O-N 3.15Å; L1416-S1419 PolarHBondContact O-OG 3.4Å; M1417-S1419 VanDerWaalsContact C-N 3.3Å; M1417-S1419 PolarHBondContact O-N 3.13Å; S1419-H1421 VanDerWaalsContact C-N 3.29Å; S1419-H1421 PolarHBondContact O-N 3.06Å; S1419-H1421 VanDerWaalsContact O-N 3.11Å; S1419-S1422 WeakPolarHBondContact CB-OG 3.38Å; S1419-K1454 PolarHBondContact O-NZ 2.87Å; S1419-K1454 PolarHBondContact OG-NZ 2.78Å | ||
| 1420 | P | 43.8 | Very low | 47.5 | Very low | 97.8 Ų | 97.8 | 88.7 Ų | 88.7 | 64% | 0.635 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 40.4 | -179.9 | 13.2 | -8.9 | 0 | 0 | 0 | 111.6 | S1418 S1422 | S1418-P1420 WeakPolarHBondContact O-CD 3.28Å; S1418-P1420 VanDerWaalsContact O-CG 3.3Å; S1418-P1420 WeakPolarHBondContact O-CG 3.25Å; S1418-P1420 VanDerWaalsContact O-N 3.13Å; P1420-S1422 PolarHBondContact O-N 2.65Å |
| 1421 | H | 37.2 | Very low | 45.4 | Very low | 134.8 Ų | 134.8 | 92.5 Ų | 92.5 | 62% | 0.624 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 50.9 | -174.5 | -67.2 | -49.3 | 0 | 0 | 0 | 114.7 | S1419 S1423 S1425 H1517 | S1419-H1421 VanDerWaalsContact C-N 3.29Å; S1419-H1421 PolarHBondContact O-N 3.06Å; S1419-H1421 VanDerWaalsContact O-N 3.11Å; H1421-S1423 VanDerWaalsContact C-N 3.35Å; H1421-S1423 PolarHBondContact O-N 2.88Å; H1421-S1425 PolarHBondContact O-OG 2.92Å; H1421-S1425 VanDerWaalsContact O-OG 3.05Å; H1421-H1517 AromaticContact CD2-NE2 3.91Å |
| 1422 | S | 33.2 | Very low | 43.2 | Very low | 68.4 Ų | 68.4 | 94.8 Ų | 94.8 | 48% | 0.478 | 55% | 0.552 | S | S | . | * | trans | -95.5 | 30 | 165.3 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | S1419 P1420 S1424 K1454 | S1419-S1422 WeakPolarHBondContact CB-OG 3.38Å; P1420-S1422 PolarHBondContact O-N 2.65Å; S1422-S1424 PolarHBondContact O-N 2.91Å; S1422-K1454 PolarHBondContact OG-NZ 3.17Å | ||
| 1423 | S | 33.2 | Very low | 41.3 | Very low | 93.2 Ų | 93.2 | 97.6 Ų | 97.6 | 65% | 0.652 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -84.8 | 27.6 | 169.9 | 41.7 | 0 | 0 | 0 | 0 | 112.1 | H1421 S1425 | H1421-S1423 VanDerWaalsContact C-N 3.35Å; H1421-S1423 PolarHBondContact O-N 2.88Å; S1423-S1425 PolarHBondContact O-N 2.87Å |
| 1424 | S | 32.9 | Very low | 39.4 | Very low | 98.8 Ų | 98.8 | 102.7 Ų | 102.7 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -99.5 | -2.4 | 168.6 | 64.7 | 0 | 0 | 0 | 0 | 118.2 | S1422 F1426 S1428 | S1422-S1424 PolarHBondContact O-N 2.91Å; S1424-F1426 VanDerWaalsContact C-N 3.32Å; S1424-F1426 PolarHBondContact O-N 3.06Å; S1424-S1428 PolarHBondContact O-N 3.01Å |
| 1425 | S | 29.6 | Very low | 37.5 | Very low | 75 Ų | 75 | 102.6 Ų | 102.6 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -103.9 | -10.1 | -180 | 52.8 | 0 | 0 | 0 | 0 | 116.1 | H1421 S1423 | H1421-S1425 PolarHBondContact O-OG 2.92Å; H1421-S1425 VanDerWaalsContact O-OG 3.05Å; S1423-S1425 PolarHBondContact O-N 2.87Å |
| 1426 | F | 29.2 | Very low | 35.7 | Very low | 169 Ų | 169 | 102.6 Ų | 102.6 | 74% | 0.741 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -6.7 | 178.4 | -88.1 | -79.5 | 0 | 0 | 0 | 115.2 | F1415 S1424 S1428 | F1415-F1426 HydrophobicContact CZ-CE2 4.36Å; F1415-F1426 HydrophobicContact CZ-CZ 4.29Å; S1424-F1426 VanDerWaalsContact C-N 3.32Å; S1424-F1426 PolarHBondContact O-N 3.06Å; F1426-S1428 VanDerWaalsContact C-N 3.31Å; F1426-S1428 PolarHBondContact O-N 3.39Å |
| 1427 | L | 29.8 | Very low | 34 | Very low | 156.6 Ų | 156.6 | 106.4 Ų | 106.4 | 82% | 0.82 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -4.9 | 175.4 | -84.7 | 164.1 | 0 | 0 | 0 | 114.2 | L1429 | L1427-L1429 VanDerWaalsContact C-N 3.34Å; L1427-L1429 PolarHBondContact O-N 3.07Å; L1427-L1429 VanDerWaalsContact O-N 3.17Å |
| 1428 | S | 29.6 | Very low | 32.5 | Very low | 85.2 Ų | 85.2 | 110.2 Ų | 110.2 | 60% | 0.596 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -95.6 | 1.5 | -179.9 | 145.6 | 0 | 0 | 0 | 0 | 115.3 | S1424 F1426 C1430 | S1424-S1428 PolarHBondContact O-N 3.01Å; F1426-S1428 VanDerWaalsContact C-N 3.31Å; F1426-S1428 PolarHBondContact O-N 3.39Å; S1428-C1430 VanDerWaalsContact C-N 3.35Å; S1428-C1430 PolarHBondContact O-N 3.29Å |
| 1429 | L | 28 | Very low | 30.9 | Very low | 154.8 Ų | 154.8 | 111.8 Ų | 111.8 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 20.1 | 177.8 | -123.8 | 87.2 | 0 | 0 | 0 | 114.5 | L1427 S1431 | L1427-L1429 VanDerWaalsContact C-N 3.34Å; L1427-L1429 PolarHBondContact O-N 3.07Å; L1427-L1429 VanDerWaalsContact O-N 3.17Å; L1429-S1431 VanDerWaalsContact C-N 3.3Å |
| 1430 | C | 27 | Very low | 29.8 | Very low | 117 Ų | 117 | 114.5 Ų | 114.5 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -120.7 | 55.4 | 169 | -71.4 | 0 | 0 | 0 | 0 | 111.2 | S1428 | S1428-C1430 VanDerWaalsContact C-N 3.35Å; S1428-C1430 PolarHBondContact O-N 3.29Å |
| 1431 | S | 24.5 | Very low | 29.3 | Very low | 100 Ų | 100 | 115.7 Ų | 115.7 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | -131.6 | 87.1 | 168.6 | 28.2 | 0 | 0 | 0 | 0 | 112.1 | L1429 T1433 | L1429-S1431 VanDerWaalsContact C-N 3.3Å; S1431-T1433 PolarHBondContact O-N 2.9Å | ||
| 1432 | S | 25.8 | Very low | 28.9 | Very low | 110.2 Ų | 110.2 | 114.7 Ų | 114.7 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | trans | -111.9 | 93.4 | 159.6 | 54 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1433 | T | 27.5 | Very low | 28.7 | Very low | 132.2 Ų | 132.2 | 117.6 Ų | 117.6 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 163.9 | 116.4 | 141.4 | 44.2 | 0 | 0 | 0 | 0 | 113.1 | S1431 | S1431-T1433 PolarHBondContact O-N 2.9Š|
| 1434 | S | 26.7 | Very low | 28.7 | Very low | 109.2 Ų | 109.2 | 117.6 Ų | 117.6 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | 37.1 | 117.7 | 151.4 | 57.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1435 | S | 27.9 | Very low | 28.6 | Very low | 113.8 Ų | 113.8 | 116.6 Ų | 116.6 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | 134 | 116.4 | 123.8 | 53.8 | 0 | 0 | 0 | 0 | 115.5 | V1437 | S1435-V1437 PolarHBondContact O-N 3.42Š| |||
| 1436 | V | 30.2 | Very low | 28.7 | Very low | 142.4 Ų | 142.4 | 116.1 Ų | 116.1 | 86% | 0.863 | 73% | 0.726 | S | S | * | * | trans | -10.5 | 120.7 | 147.9 | -173.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1437 | V | 28 | Very low | 29.2 | Very low | 128.8 Ų | 128.8 | 111.4 Ų | 111.4 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | trans | -95.8 | 127.3 | 153.2 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | S1435 S1439 | S1435-V1437 PolarHBondContact O-N 3.42Å; V1437-S1439 PolarHBondContact O-N 2.93Å | ||
| 1438 | S | 28.2 | Very low | 29.6 | Very low | 104.8 Ų | 104.8 | 106.7 Ų | 106.7 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | trans | -151 | 119.7 | 145.7 | 49.2 | 0 | 0 | 0 | 0 | 114.5 | S1440 | S1438-S1440 PolarHBondContact O-N 3.06Š| ||
| 1439 | S | 26.8 | Very low | 30.5 | Very low | 116.4 Ų | 116.4 | 104.5 Ų | 104.5 | 81% | 0.814 | 68% | 0.681 | S | S | * | * | trans | -25.6 | 111.9 | 157.8 | 53.9 | 0 | 0 | 0 | 0 | 116.1 | V1437 | V1437-S1439 PolarHBondContact O-N 2.93Š| ||
| 1440 | S | 27.5 | Very low | 31.8 | Very low | 96 Ų | 96 | 98.8 Ų | 98.8 | 67% | 0.671 | 65% | 0.654 | S | S | * | * | trans | -148.1 | 127.4 | 149.2 | 138.3 | 0 | 0 | 0 | 0 | 110.2 | S1438 V1442 | S1438-S1440 PolarHBondContact O-N 3.06Å; S1440-V1442 VanDerWaalsContact C-N 3.29Å; S1440-V1442 PolarHBondContact O-N 3.27Å; S1440-V1442 VanDerWaalsContact OG-CG2 3.31Å; S1440-V1442 WeakPolarHBondContact OG-CG2 3.43Å | ||
| 1441 | P | 31.7 | Very low | 33.5 | Very low | 122.4 Ų | 122.4 | 94.8 Ų | 94.8 | 80% | 0.795 | 63% | 0.625 | S | S | * | * | trans | -90.2 | 84.3 | 177.8 | 33.9 | -28.8 | 0 | 0 | 0 | 109.6 | L1443 | P1441-L1443 PolarHBondContact O-N 3.06Å; P1441-L1443 VanDerWaalsContact O-N 3.09Å | ||
| 1442 | V | 29.6 | Very low | 35.2 | Very low | 115 Ų | 115 | 93.1 Ų | 93.1 | 70% | 0.697 | 61% | 0.606 | S | S | * | * | trans | -87.3 | 62.6 | 166.1 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | S1440 S1444 S1445 | S1440-V1442 VanDerWaalsContact C-N 3.29Å; S1440-V1442 PolarHBondContact O-N 3.27Å; S1440-V1442 VanDerWaalsContact OG-CG2 3.31Å; S1440-V1442 WeakPolarHBondContact OG-CG2 3.43Å; V1442-S1444 VanDerWaalsContact C-N 3.34Å; V1442-S1444 PolarHBondContact O-N 3.12Å; V1442-S1444 VanDerWaalsContact O-N 3.13Å; V1442-S1445 PolarHBondContact O-N 3.15Å; V1442-S1445 PolarHBondContact O-OG 3.17Å | ||
| 1443 | L | 28.8 | Very low | 37 | Very low | 129.6 Ų | 129.6 | 88.2 Ų | 88.2 | 68% | 0.679 | 57% | 0.572 | S | S | * | * | trans | -103.6 | 56.2 | 172.5 | -84.1 | 166.6 | 0 | 0 | 0 | 110.8 | T1024 P1441 S1445 C1446 T1521 | T1024-L1443 VanDerWaalsContact CB-CD1 3.45Å; T1024-L1443 HydrophobicContact CG2-CD1 3.51Å; P1441-L1443 PolarHBondContact O-N 3.06Å; P1441-L1443 VanDerWaalsContact O-N 3.09Å; L1443-S1445 PolarHBondContact O-N 2.93Å; L1443-C1446 HydrophobicContact CD2-CB 3.83Å; L1443-T1521 HydrophobicContact CD1-CG2 3.47Å; L1443-T1521 VanDerWaalsContact CD1-CG2 3.47Å | ||
| 1444 | S | 32.4 | Very low | 38.8 | Very low | 92.4 Ų | 92.4 | 83.3 Ų | 83.3 | 65% | 0.646 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 27 | 170.1 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | V1442 C1446 S1447 I1448 | V1442-S1444 VanDerWaalsContact C-N 3.34Å; V1442-S1444 PolarHBondContact O-N 3.12Å; V1442-S1444 VanDerWaalsContact O-N 3.13Å; S1444-C1446 PolarHBondContact O-N 3.3Å; S1444-S1447 PolarHBondContact O-N 3.43Å; S1444-S1447 PolarHBondContact O-OG 3.45Å; S1444-S1447 VanDerWaalsContact O-OG 3.09Å; S1444-I1448 WeakPolarHBondContact O-CD1 3.47Å |
| 1445 | S | 32.4 | Very low | 40.8 | Very low | 78.6 Ų | 78.6 | 78.6 Ų | 78.6 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -8.1 | 168.7 | 57.9 | 0 | 0 | 0 | 0 | 116.1 | V1442 L1443 S1447 I1448 G1449 | V1442-S1445 PolarHBondContact O-N 3.15Å; V1442-S1445 PolarHBondContact O-OG 3.17Å; L1443-S1445 PolarHBondContact O-N 2.93Å; S1445-S1447 PolarHBondContact O-N 3.23Å; S1445-I1448 PolarHBondContact O-N 3.24Å; S1445-G1449 PolarHBondContact O-N 3.07Å |
| 1446 | C | 30.6 | Very low | 42.9 | Very low | 62.8 Ų | 62.8 | 77.1 Ų | 77.1 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.7 | 11.2 | 176.3 | -77 | 0 | 0 | 0 | 0 | 113 | D1160 L1443 S1444 I1448 S1450 | D1160-C1446 HydrophobicContact CB-CB 4.46Å; L1443-C1446 HydrophobicContact CD2-CB 3.83Å; S1444-C1446 PolarHBondContact O-N 3.3Å; C1446-I1448 VanDerWaalsContact C-N 3.28Å; C1446-I1448 PolarHBondContact O-N 3.08Å; C1446-S1450 PolarHBondContact O-N 3.28Å |
| 1447 | S | 39.4 | Very low | 44.7 | Very low | 71.8 Ų | 71.8 | 71.1 Ų | 71.1 | 50% | 0.502 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60 | -4.1 | 168.4 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | S1444 S1445 G1449 S1450 L1451 | S1444-S1447 PolarHBondContact O-N 3.43Å; S1444-S1447 PolarHBondContact O-OG 3.45Å; S1444-S1447 VanDerWaalsContact O-OG 3.09Å; S1445-S1447 PolarHBondContact O-N 3.23Å; S1447-G1449 PolarHBondContact O-N 3.25Å; S1447-S1450 PolarHBondContact O-OG 3.08Å; S1447-L1451 WeakPolarHBondContact O-CB 3.44Å; S1447-L1451 PolarHBondContact O-N 3.24Å |
| 1448 | I | 39.9 | Very low | 46.9 | Very low | 56.8 Ų | 56.8 | 65.9 Ų | 65.9 | 29% | 0.291 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -77.8 | -19.4 | 175 | -58.5 | 169.3 | 0 | 0 | 0 | 110.5 | L1416 S1444 S1445 C1446 S1450 L1451 E1452 K1454 F1518 | L1416-I1448 HydrophobicContact CD2-CD1 3.87Å; S1444-I1448 WeakPolarHBondContact O-CD1 3.47Å; S1445-I1448 PolarHBondContact O-N 3.24Å; C1446-I1448 VanDerWaalsContact C-N 3.28Å; C1446-I1448 PolarHBondContact O-N 3.08Å; I1448-S1450 VanDerWaalsContact C-N 3.28Å; I1448-S1450 PolarHBondContact O-N 3.07Å; I1448-L1451 WeakPolarHBondContact O-CB 3.13Å; I1448-L1451 PolarHBondContact O-N 3.28Å; I1448-L1451 VanDerWaalsContact O-N 3.16Å; I1448-E1452 PolarHBondContact O-N 3.02Å; I1448-E1452 VanDerWaalsContact O-N 3.12Å; I1448-K1454 HydrophobicContact CB-CD 4.41Å; I1448-K1454 HydrophobicContact CB-CG 3.76Å; I1448-K1454 HydrophobicContact CD1-CG 4.08Å; I1448-K1454 HydrophobicContact CG2-CB 4.19Å; I1448-K1454 HydrophobicContact CG2-CD 4.34Å; I1448-K1454 HydrophobicContact CG2-CG 3.23Å; I1448-F1518 HydrophobicContact CD1-CE1 4.39Å |
| 1449 | G | 46.6 | Very low | 49.3 | Very low | 40 Ų | 40 | 62.1 Ų | 62.1 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.7 | -32.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1159 S1445 S1447 L1451 E1452 G1453 | H1159-G1449 VanDerWaalsContact CB-C 3.46Å; S1445-G1449 PolarHBondContact O-N 3.07Å; S1447-G1449 PolarHBondContact O-N 3.25Å; G1449-L1451 VanDerWaalsContact C-N 3.28Å; G1449-L1451 PolarHBondContact O-N 3.15Å; G1449-E1452 PolarHBondContact O-N 3.09Å; G1449-G1453 PolarHBondContact O-N 3.19Å; G1449-G1453 VanDerWaalsContact O-N 3.08Å |
| 1450 | S | 57.2 | Low | 51.6 | Low | 34.4 Ų | 34.4 | 58 Ų | 58 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.9 | -27.8 | 174.8 | 97.9 | 0 | 0 | 0 | 0 | 112.1 | I1156 C1446 S1447 I1448 E1452 G1453 K1454 | I1156-S1450 VanDerWaalsContact CG2-OG 3.31Å; I1156-S1450 WeakPolarHBondContact CG2-OG 3.29Å; C1446-S1450 PolarHBondContact O-N 3.28Å; S1447-S1450 PolarHBondContact O-OG 3.08Å; I1448-S1450 VanDerWaalsContact C-N 3.28Å; I1448-S1450 PolarHBondContact O-N 3.07Å; S1450-E1452 PolarHBondContact O-N 3.34Å; S1450-G1453 WeakPolarHBondContact O-CA 3.47Å; S1450-G1453 PolarHBondContact O-N 3.28Å; S1450-G1453 PolarHBondContact OG-N 3.33Å; S1450-K1454 WeakPolarHBondContact O-CB 3.49Å; S1450-K1454 VanDerWaalsContact O-CG 3.25Å; S1450-K1454 WeakPolarHBondContact O-CG 3.25Å; S1450-K1454 PolarHBondContact O-N 3.14Å; S1450-K1454 VanDerWaalsContact O-N 3.08Å |
| 1451 | L | 61.3 | Low | 53.9 | Low | 33.6 Ų | 33.6 | 56.2 Ų | 56.2 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 177.8 | -161.8 | 73.6 | 0 | 0 | 0 | 111.2 | M1417 S1447 I1448 G1449 G1453 K1454 Q1455 W1514 F1518 | M1417-L1451 HydrophobicContact CE-CD1 4.12Å; M1417-L1451 HydrophobicContact SD-CD1 3.73Å; M1417-L1451 VanDerWaalsContact SD-CD1 3.6Å; S1447-L1451 WeakPolarHBondContact O-CB 3.44Å; S1447-L1451 PolarHBondContact O-N 3.24Å; I1448-L1451 WeakPolarHBondContact O-CB 3.13Å; I1448-L1451 PolarHBondContact O-N 3.28Å; I1448-L1451 VanDerWaalsContact O-N 3.16Å; G1449-L1451 VanDerWaalsContact C-N 3.28Å; G1449-L1451 PolarHBondContact O-N 3.15Å; L1451-G1453 VanDerWaalsContact C-N 3.32Å; L1451-G1453 PolarHBondContact O-N 3.13Å; L1451-K1454 PolarHBondContact O-N 3.28Å; L1451-Q1455 WeakPolarHBondContact O-CB 3.36Å; L1451-Q1455 PolarHBondContact O-N 3.07Å; L1451-W1514 HydrophobicContact CB-CH2 4.38Å; L1451-W1514 HydrophobicContact CB-CZ3 4.11Å; L1451-W1514 HydrophobicContact CD1-CE3 3.8Å; L1451-W1514 HydrophobicContact CD1-CH2 4.02Å; L1451-W1514 HydrophobicContact CD1-CZ3 3.58Å; L1451-W1514 VanDerWaalsContact CD1-CZ3 3.47Å; L1451-W1514 HydrophobicContact CD2-CE3 4.03Å; L1451-W1514 HydrophobicContact CD2-CH2 3.93Å; L1451-W1514 HydrophobicContact CD2-CZ3 3.93Å; L1451-W1514 HydrophobicContact CG-CE3 3.83Å; L1451-W1514 HydrophobicContact CG-CH2 3.42Å; L1451-W1514 VanDerWaalsContact CG-CH2 3.42Å; L1451-W1514 HydrophobicContact CG-CZ3 3.5Å; L1451-W1514 VanDerWaalsContact CG-CZ3 3.41Å; L1451-W1514 WeakPolarHBondContact O-CH2 3.36Å; L1451-F1518 HydrophobicContact CD2-CD2 4.32Å; L1451-F1518 HydrophobicContact CD2-CE1 3.92Å; L1451-F1518 HydrophobicContact CD2-CE2 3.75Å; L1451-F1518 VanDerWaalsContact CD2-CE2 3.43Å; L1451-F1518 HydrophobicContact CD2-CZ 3.88Å; L1451-F1518 HydrophobicContact CG-CZ 4.33Å |
| 1452 | E | 61.5 | Low | 56.2 | Low | 64.4 Ų | 64.4 | 50.6 Ų | 50.6 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 175.3 | -171 | -175.7 | 163.1 | 0 | 0 | 112 | I1448 G1449 S1450 K1454 Q1455 K1456 L1546 | I1448-E1452 PolarHBondContact O-N 3.02Å; I1448-E1452 VanDerWaalsContact O-N 3.12Å; G1449-E1452 PolarHBondContact O-N 3.09Å; S1450-E1452 PolarHBondContact O-N 3.34Å; E1452-K1454 PolarHBondContact O-N 3.44Å; E1452-Q1455 WeakPolarHBondContact O-CB 3.42Å; E1452-Q1455 PolarHBondContact O-N 3.22Å; E1452-K1456 HydrophobicContact CG-CD 4.39Å; E1452-K1456 WeakPolarHBondContact O-CB 3.31Å; E1452-K1456 VanDerWaalsContact O-CG 3.3Å; E1452-K1456 WeakPolarHBondContact O-CG 3.39Å; E1452-K1456 PolarHBondContact O-N 3.1Å; E1452-K1456 WeakPolarHBondContact OE1-CE 3.25Å; E1452-K1456 IonicContact OE1-NZ 2.99Å; E1452-K1456 PolarHBondContact OE1-NZ 3.13Å; E1452-L1546 HydrophobicContact CG-CD2 4.11Å |
| 1453 | G | 62.2 | Low | 58.6 | Low | 6.4 Ų | 6.4 | 47.2 Ų | 47.2 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1156 G1449 S1450 L1451 Q1455 K1456 L1457 | I1156-G1453 WeakPolarHBondContact CD1-O 3.37Å; G1449-G1453 PolarHBondContact O-N 3.19Å; G1449-G1453 VanDerWaalsContact O-N 3.08Å; S1450-G1453 WeakPolarHBondContact O-CA 3.47Å; S1450-G1453 PolarHBondContact O-N 3.28Å; S1450-G1453 PolarHBondContact OG-N 3.33Å; L1451-G1453 VanDerWaalsContact C-N 3.32Å; L1451-G1453 PolarHBondContact O-N 3.13Å; G1453-Q1455 VanDerWaalsContact C-N 3.3Å; G1453-Q1455 PolarHBondContact O-N 2.92Å; G1453-K1456 PolarHBondContact O-N 3.18Å; G1453-L1457 WeakPolarHBondContact O-CB 3.37Å; G1453-L1457 PolarHBondContact O-N 3.23Å; G1453-L1457 VanDerWaalsContact O-N 3.08Å |
| 1454 | K | 66.7 | Low | 61 | Low | 30.6 Ų | 30.6 | 41.1 Ų | 41.1 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 173.7 | -71.1 | 178 | -179.4 | -178.2 | 0 | 111 | I1156 L1416 S1419 S1422 I1448 S1450 L1451 E1452 K1456 L1457 I1458 W1514 | I1156-K1454 HydrophobicContact CD1-CG 4.17Å; I1156-K1454 HydrophobicContact CG2-CD 4.12Å; I1156-K1454 HydrophobicContact CG2-CG 3.66Å; L1416-K1454 WeakPolarHBondContact O-CE 3.26Å; L1416-K1454 PolarHBondContact O-NZ 3.09Å; S1419-K1454 PolarHBondContact O-NZ 2.87Å; S1419-K1454 PolarHBondContact OG-NZ 2.78Å; S1422-K1454 PolarHBondContact OG-NZ 3.17Å; I1448-K1454 HydrophobicContact CB-CD 4.41Å; I1448-K1454 HydrophobicContact CB-CG 3.76Å; I1448-K1454 HydrophobicContact CD1-CG 4.08Å; I1448-K1454 HydrophobicContact CG2-CB 4.19Å; I1448-K1454 HydrophobicContact CG2-CD 4.34Å; I1448-K1454 HydrophobicContact CG2-CG 3.23Å; S1450-K1454 WeakPolarHBondContact O-CB 3.49Å; S1450-K1454 VanDerWaalsContact O-CG 3.25Å; S1450-K1454 WeakPolarHBondContact O-CG 3.25Å; S1450-K1454 PolarHBondContact O-N 3.14Å; S1450-K1454 VanDerWaalsContact O-N 3.08Å; L1451-K1454 PolarHBondContact O-N 3.28Å; E1452-K1454 PolarHBondContact O-N 3.44Å; K1454-K1456 PolarHBondContact O-N 2.84Å; K1454-L1457 WeakPolarHBondContact O-CB 3.31Å; K1454-L1457 PolarHBondContact O-N 3.21Å; K1454-I1458 WeakPolarHBondContact O-CB 3.35Å; K1454-I1458 WeakPolarHBondContact O-CD1 3.38Å; K1454-I1458 WeakPolarHBondContact O-CG1 3.34Å; K1454-I1458 PolarHBondContact O-N 2.9Å; K1454-W1514 HydrophobicContact CB-CH2 4.17Å; K1454-W1514 HydrophobicContact CB-CZ3 4.2Å |
| 1455 | Q | 68.6 | Low | 63.3 | Low | 9.2 Ų | 9.2 | 36.7 Ų | 36.7 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 179.5 | -169.2 | -168.1 | -22 | 0 | 0 | 112.2 | L1451 E1452 G1453 L1457 I1458 H1459 W1514 L1547 | L1451-Q1455 WeakPolarHBondContact O-CB 3.36Å; L1451-Q1455 PolarHBondContact O-N 3.07Å; E1452-Q1455 WeakPolarHBondContact O-CB 3.42Å; E1452-Q1455 PolarHBondContact O-N 3.22Å; G1453-Q1455 VanDerWaalsContact C-N 3.3Å; G1453-Q1455 PolarHBondContact O-N 2.92Å; Q1455-L1457 VanDerWaalsContact C-N 3.32Å; Q1455-L1457 PolarHBondContact O-N 3.14Å; Q1455-I1458 PolarHBondContact O-N 3.2Å; Q1455-H1459 WeakPolarHBondContact O-CB 3.29Å; Q1455-H1459 PolarHBondContact O-N 2.99Å; Q1455-W1514 HydrophobicContact CB-CH2 3.81Å; Q1455-W1514 HydrophobicContact CB-CZ2 3.93Å; Q1455-W1514 HydrophobicContact CB-CZ3 4.29Å; Q1455-W1514 HydrophobicContact CG-CH2 4.16Å; Q1455-W1514 HydrophobicContact CG-CZ2 4Å; Q1455-W1514 HydrophobicContact CG-CZ3 4.45Å; Q1455-L1547 HydrophobicContact CG-CD2 4.19Å; Q1455-L1547 VanDerWaalsContact NE2-CG 3.31Å |
| 1456 | K | 70.6 | Confident | 65.7 | Low | 83.6 Ų | 83.6 | 33 Ų | 33 | 36% | 0.363 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 176.3 | -76.2 | 178.3 | -177.8 | 169.1 | 0 | 111.7 | E1452 G1453 K1454 H1459 H1460 | E1452-K1456 HydrophobicContact CG-CD 4.39Å; E1452-K1456 WeakPolarHBondContact O-CB 3.31Å; E1452-K1456 VanDerWaalsContact O-CG 3.3Å; E1452-K1456 WeakPolarHBondContact O-CG 3.39Å; E1452-K1456 PolarHBondContact O-N 3.1Å; E1452-K1456 WeakPolarHBondContact OE1-CE 3.25Å; E1452-K1456 IonicContact OE1-NZ 2.99Å; E1452-K1456 PolarHBondContact OE1-NZ 3.13Å; G1453-K1456 PolarHBondContact O-N 3.18Å; K1454-K1456 PolarHBondContact O-N 2.84Å; K1456-H1459 PolarHBondContact O-N 3.22Å; K1456-H1460 WeakPolarHBondContact O-CB 3.34Å; K1456-H1460 PolarHBondContact O-N 3.07Å |
| 1457 | L | 69.6 | Low | 68 | Low | 16.4 Ų | 16.4 | 31.7 Ų | 31.7 | 9% | 0.086 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 177.9 | -178.8 | 64.5 | 0 | 0 | 0 | 112.2 | D1153 I1156 P1370 G1453 K1454 Q1455 H1459 H1460 R1461 | D1153-L1457 HydrophobicContact CB-CD2 4.49Å; D1153-L1457 WeakPolarHBondContact OD1-CD2 3.3Å; I1156-L1457 HydrophobicContact CD1-CB 4.45Å; I1156-L1457 HydrophobicContact CD1-CD2 3.55Å; I1156-L1457 HydrophobicContact CG1-CD2 3.98Å; P1370-L1457 HydrophobicContact CB-CD1 3.56Å; P1370-L1457 HydrophobicContact CG-CD1 3.61Å; G1453-L1457 WeakPolarHBondContact O-CB 3.37Å; G1453-L1457 PolarHBondContact O-N 3.23Å; G1453-L1457 VanDerWaalsContact O-N 3.08Å; K1454-L1457 WeakPolarHBondContact O-CB 3.31Å; K1454-L1457 PolarHBondContact O-N 3.21Å; Q1455-L1457 VanDerWaalsContact C-N 3.32Å; Q1455-L1457 PolarHBondContact O-N 3.14Å; L1457-H1459 VanDerWaalsContact C-N 3.32Å; L1457-H1459 PolarHBondContact O-N 2.93Å; L1457-H1460 PolarHBondContact O-N 3.07Å; L1457-R1461 HydrophobicContact CD1-CG 4.44Å; L1457-R1461 WeakPolarHBondContact O-CB 3.46Å; L1457-R1461 WeakPolarHBondContact O-CG 3.39Å; L1457-R1461 PolarHBondContact O-N 3.12Å |
| 1458 | I | 74 | Confident | 69.9 | Low | 19.4 Ų | 19.4 | 28.3 Ų | 28.3 | 10% | 0.099 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 177.8 | -68.4 | 164.4 | 0 | 0 | 0 | 110.2 | I1409 I1413 L1416 K1454 Q1455 H1460 R1461 R1462 W1514 | I1409-I1458 HydrophobicContact CG2-CG2 4.12Å; I1413-I1458 HydrophobicContact CB-CD1 4.47Å; I1413-I1458 HydrophobicContact CD1-CG2 4.07Å; I1413-I1458 HydrophobicContact CG1-CD1 3.79Å; I1413-I1458 HydrophobicContact CG1-CG1 4.49Å; I1413-I1458 HydrophobicContact CG1-CG2 4.04Å; L1416-I1458 HydrophobicContact CD1-CD1 3.73Å; L1416-I1458 HydrophobicContact CD1-CG1 4.08Å; K1454-I1458 WeakPolarHBondContact O-CB 3.35Å; K1454-I1458 WeakPolarHBondContact O-CD1 3.38Å; K1454-I1458 WeakPolarHBondContact O-CG1 3.34Å; K1454-I1458 PolarHBondContact O-N 2.9Å; Q1455-I1458 PolarHBondContact O-N 3.2Å; I1458-H1460 PolarHBondContact O-N 3.24Å; I1458-R1461 PolarHBondContact O-N 3.28Å; I1458-R1462 VanDerWaalsContact CG2-NE 3.3Å; I1458-R1462 VanDerWaalsContact CG2-NH2 3.27Å; I1458-R1462 VanDerWaalsContact O-CB 3.27Å; I1458-R1462 WeakPolarHBondContact O-CB 3.19Å; I1458-R1462 VanDerWaalsContact O-CG 3.26Å; I1458-R1462 WeakPolarHBondContact O-CG 3.28Å; I1458-R1462 PolarHBondContact O-N 3.17Å; I1458-W1514 HydrophobicContact CD1-CH2 4.23Å; I1458-W1514 HydrophobicContact CD1-CZ2 4.05Å |
| 1459 | H | 77.1 | Confident | 71.8 | Confident | 23.6 Ų | 23.6 | 25.7 Ų | 25.7 | 11% | 0.109 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.9 | -176.7 | 69.2 | 0 | 0 | 0 | 111.9 | Q1455 K1456 L1457 R1462 M1463 N1550 | Q1455-H1459 WeakPolarHBondContact O-CB 3.29Å; Q1455-H1459 PolarHBondContact O-N 2.99Å; K1456-H1459 PolarHBondContact O-N 3.22Å; L1457-H1459 VanDerWaalsContact C-N 3.32Å; L1457-H1459 PolarHBondContact O-N 2.93Å; H1459-R1462 WeakPolarHBondContact O-CB 3.41Å; H1459-R1462 PolarHBondContact O-N 3.17Å; H1459-M1463 VanDerWaalsContact O-CB 3.31Å; H1459-M1463 WeakPolarHBondContact O-CB 3.43Å; H1459-M1463 PolarHBondContact O-N 3.25Å; H1459-N1550 VanDerWaalsContact CE1-CB 3.47Å; H1459-N1550 WeakPolarHBondContact CE1-CB 3.49Å; H1459-N1550 PolarHBondContact CE1-O 3.27Å; H1459-N1550 VanDerWaalsContact CE1-O 3.28Å; H1459-N1550 PolarHBondContact NE2-OD1 3.37Å |
| 1460 | H | 76.3 | Confident | 73.3 | Confident | 30 Ų | 30 | 26.7 Ų | 26.7 | 14% | 0.139 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 176.2 | 176.3 | 76.9 | 0 | 0 | 0 | 112.8 | S1369 P1370 R1371 R1376 K1456 L1457 I1458 R1462 M1463 S1464 | S1369-H1460 PolarHBondContact O-NE2 3.43Å; S1369-H1460 VanDerWaalsContact O-NE2 3.15Å; P1370-H1460 WeakPolarHBondContact CA-CD2 3.36Å; P1370-H1460 WeakPolarHBondContact CA-NE2 3.29Å; P1370-H1460 PolarHBondContact O-CD2 2.92Å; P1370-H1460 PolarHBondContact O-CE1 3.14Å; P1370-H1460 PolarHBondContact O-NE2 3.09Å; R1371-H1460 VanDerWaalsContact CA-CE1 3.5Å; R1371-H1460 WeakPolarHBondContact CA-CE1 3.44Å; R1371-H1460 WeakPolarHBondContact CA-NE2 3.19Å; R1376-H1460 PolarHBondContact NH1-CE1 3.14Å; R1376-H1460 VanDerWaalsContact NH1-CE1 3.25Å; R1376-H1460 PolarHBondContact NH1-NE2 3.25Å; R1376-H1460 PolarHBondContact NH2-CE1 2.78Å; K1456-H1460 WeakPolarHBondContact O-CB 3.34Å; K1456-H1460 PolarHBondContact O-N 3.07Å; L1457-H1460 PolarHBondContact O-N 3.07Å; I1458-H1460 PolarHBondContact O-N 3.24Å; H1460-R1462 VanDerWaalsContact C-N 3.28Å; H1460-R1462 PolarHBondContact O-N 3.25Å; H1460-M1463 PolarHBondContact O-N 3.06Å; H1460-S1464 PolarHBondContact CE1-OG 3.05Å; H1460-S1464 VanDerWaalsContact CE1-OG 3.32Å; H1460-S1464 PolarHBondContact ND1-OG 3.04Å; H1460-S1464 PolarHBondContact NE2-OG 3.1Å; H1460-S1464 VanDerWaalsContact O-CB 3.29Å; H1460-S1464 WeakPolarHBondContact O-CB 3.3Å; H1460-S1464 PolarHBondContact O-N 3.16Å; H1460-S1464 PolarHBondContact O-OG 3.22Å |
| 1461 | R | 75.8 | Confident | 74.2 | Confident | 58.8 Ų | 58.8 | 28.5 Ų | 28.5 | 22% | 0.222 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -40.5 | 177.5 | -75.3 | 175.7 | 170.2 | -177.6 | -0.7 | 111.1 | D1153 L1457 I1458 S1464 T1465 | D1153-R1461 IonicContact OD1-CZ 3.35Å; D1153-R1461 IonicContact OD1-NE 2.66Å; D1153-R1461 IonicContact OD1-NH1 3.08Å; D1153-R1461 PolarHBondContact OD1-NH1 3.46Å; D1153-R1461 IonicContact OD1-NH2 2.79Å; D1153-R1461 PolarHBondContact OD1-NH2 2.99Å; D1153-R1461 IonicContact OD2-CZ 3.37Å; D1153-R1461 IonicContact OD2-NH1 3.12Å; D1153-R1461 IonicContact OD2-NH2 3.1Å; D1153-R1461 PolarHBondContact OD2-NH2 3.33Å; L1457-R1461 HydrophobicContact CD1-CG 4.44Å; L1457-R1461 WeakPolarHBondContact O-CB 3.46Å; L1457-R1461 WeakPolarHBondContact O-CG 3.39Å; L1457-R1461 PolarHBondContact O-N 3.12Å; I1458-R1461 PolarHBondContact O-N 3.28Å; R1461-S1464 WeakPolarHBondContact CA-OG 3.44Å; R1461-S1464 PolarHBondContact O-N 3.18Å; R1461-S1464 PolarHBondContact O-OG 2.95Å; R1461-T1465 WeakPolarHBondContact O-CB 3.37Å; R1461-T1465 PolarHBondContact O-N 3.12Å; R1461-T1465 VanDerWaalsContact O-N 3.12Å; R1461-T1465 PolarHBondContact O-OG1 3.3Å; R1461-T1465 VanDerWaalsContact O-OG1 3.07Å |
| 1462 | R | 78.7 | Confident | 74.7 | Confident | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.8 | -53.6 | 173.6 | -160.7 | -179.5 | -99.8 | 172.8 | 4.3 | 111.1 | L1406 I1409 I1458 H1459 H1460 S1464 T1465 I1466 Q1503 Y1507 E1510 L1554 | L1406-R1462 HydrophobicContact CD1-CG 4.27Å; L1406-R1462 HydrophobicContact CD2-CG 4.38Å; I1409-R1462 HydrophobicContact CD1-CB 3.98Å; I1409-R1462 HydrophobicContact CD1-CG 3.82Å; I1409-R1462 VanDerWaalsContact CD1-CG 3.49Å; I1409-R1462 HydrophobicContact CG1-CG 4.27Å; I1409-R1462 VanDerWaalsContact CG2-NH2 3.32Å; I1458-R1462 VanDerWaalsContact CG2-NE 3.3Å; I1458-R1462 VanDerWaalsContact CG2-NH2 3.27Å; I1458-R1462 VanDerWaalsContact O-CB 3.27Å; I1458-R1462 WeakPolarHBondContact O-CB 3.19Å; I1458-R1462 VanDerWaalsContact O-CG 3.26Å; I1458-R1462 WeakPolarHBondContact O-CG 3.28Å; I1458-R1462 PolarHBondContact O-N 3.17Å; H1459-R1462 WeakPolarHBondContact O-CB 3.41Å; H1459-R1462 PolarHBondContact O-N 3.17Å; H1460-R1462 VanDerWaalsContact C-N 3.28Å; H1460-R1462 PolarHBondContact O-N 3.25Å; R1462-S1464 VanDerWaalsContact C-N 3.3Å; R1462-S1464 PolarHBondContact O-N 3.04Å; R1462-T1465 PolarHBondContact O-N 3.26Å; R1462-T1465 VanDerWaalsContact O-N 3.12Å; R1462-I1466 HydrophobicContact CG-CD1 4.03Å; R1462-I1466 VanDerWaalsContact O-CG1 3.28Å; R1462-I1466 WeakPolarHBondContact O-CG1 3.11Å; R1462-I1466 PolarHBondContact O-N 3.1Å; R1462-Q1503 VanDerWaalsContact NH2-C 3.27Å; R1462-Q1503 VanDerWaalsContact NH2-CB 3.34Å; R1462-Q1503 PolarHBondContact NH2-O 3.39Å; R1462-Y1507 VanDerWaalsContact NH1-CD2 3.32Å; R1462-E1510 IonicContact CZ-OE1 3.25Å; R1462-E1510 VanDerWaalsContact CZ-OE1 3.31Å; R1462-E1510 IonicContact CZ-OE2 3.06Å; R1462-E1510 IonicContact NH1-OE1 2.93Å; R1462-E1510 PolarHBondContact NH1-OE1 3.09Å; R1462-E1510 IonicContact NH1-OE2 3.16Å; R1462-E1510 PolarHBondContact NH1-OE2 3.17Å; R1462-E1510 IonicContact NH2-OE1 3.49Å; R1462-E1510 PolarHBondContact NH2-OE1 3.36Å; R1462-E1510 IonicContact NH2-OE2 3.14Å; R1462-E1510 PolarHBondContact NH2-OE2 3.02Å; R1462-E1510 VanDerWaalsContact NH2-OE2 3.12Å; R1462-L1554 HydrophobicContact CG-CD1 3.87Å; R1462-L1554 HydrophobicContact CG-CD2 4.06Å; R1462-L1554 VanDerWaalsContact CZ-CD1 3.48Å |
| 1463 | M | 81.2 | Confident | 75.1 | Confident | 42.8 Ų | 42.8 | 24.4 Ų | 24.4 | 21% | 0.211 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | -178.5 | -167.7 | 64 | 165.5 | 0 | 0 | 111.8 | H1459 H1460 T1465 I1466 V1467 L1554 L1557 | H1459-M1463 VanDerWaalsContact O-CB 3.31Å; H1459-M1463 WeakPolarHBondContact O-CB 3.43Å; H1459-M1463 PolarHBondContact O-N 3.25Å; H1460-M1463 PolarHBondContact O-N 3.06Å; M1463-T1465 VanDerWaalsContact C-N 3.3Å; M1463-T1465 PolarHBondContact O-N 3.27Å; M1463-I1466 PolarHBondContact O-N 3.14Å; M1463-I1466 VanDerWaalsContact O-N 3.16Å; M1463-V1467 WeakPolarHBondContact O-CB 3.3Å; M1463-V1467 VanDerWaalsContact O-CG2 3.28Å; M1463-V1467 WeakPolarHBondContact O-CG2 3.19Å; M1463-V1467 PolarHBondContact O-N 3.26Å; M1463-L1554 HydrophobicContact SD-CD2 4.26Å; M1463-L1557 HydrophobicContact CE-CB 4.07Å; M1463-L1557 HydrophobicContact CE-CD1 3.57Å; M1463-L1557 VanDerWaalsContact CE-CD1 3.45Å; M1463-L1557 HydrophobicContact CE-CD2 3.8Å; M1463-L1557 HydrophobicContact CE-CG 4.16Å; M1463-L1557 HydrophobicContact CG-CD2 4.48Å; M1463-L1557 HydrophobicContact SD-CB 4.4Å; M1463-L1557 HydrophobicContact SD-CD1 3.85Å; M1463-L1557 HydrophobicContact SD-CD2 3.79Å; M1463-L1557 WeakPolarHBondContact SD-CD2 3.37Å; M1463-L1557 HydrophobicContact SD-CG 4.36Å |
| 1464 | S | 78.8 | Confident | 75.3 | Confident | 2.4 Ų | 2.4 | 26.2 Ų | 26.2 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 178.2 | -42 | 0 | 0 | 0 | 0 | 112.5 | T1368 R1376 H1460 R1461 R1462 V1467 A1468 | T1368-S1464 WeakPolarHBondContact O-CB 3.24Å; R1376-S1464 PolarHBondContact NH1-OG 3.19Å; H1460-S1464 PolarHBondContact CE1-OG 3.05Å; H1460-S1464 VanDerWaalsContact CE1-OG 3.32Å; H1460-S1464 PolarHBondContact ND1-OG 3.04Å; H1460-S1464 PolarHBondContact NE2-OG 3.1Å; H1460-S1464 VanDerWaalsContact O-CB 3.29Å; H1460-S1464 WeakPolarHBondContact O-CB 3.3Å; H1460-S1464 PolarHBondContact O-N 3.16Å; H1460-S1464 PolarHBondContact O-OG 3.22Å; R1461-S1464 WeakPolarHBondContact CA-OG 3.44Å; R1461-S1464 PolarHBondContact O-N 3.18Å; R1461-S1464 PolarHBondContact O-OG 2.95Å; R1462-S1464 VanDerWaalsContact C-N 3.3Å; R1462-S1464 PolarHBondContact O-N 3.04Å; S1464-V1467 PolarHBondContact O-N 3.13Å; S1464-A1468 WeakPolarHBondContact O-CB 3.44Å; S1464-A1468 PolarHBondContact O-N 3.02Å |
| 1465 | T | 81.2 | Confident | 75 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 177.2 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | L1402 L1406 R1461 R1462 M1463 V1467 A1468 L1469 | L1402-T1465 HydrophobicContact CB-CG2 4.06Å; L1402-T1465 HydrophobicContact CD2-CG2 4.08Å; L1402-T1465 WeakPolarHBondContact O-CG2 3.07Å; L1406-T1465 HydrophobicContact CB-CG2 4.39Å; L1406-T1465 HydrophobicContact CD1-CG2 4.3Å; L1406-T1465 HydrophobicContact CD2-CG2 3.76Å; L1406-T1465 HydrophobicContact CG-CG2 3.71Å; R1461-T1465 WeakPolarHBondContact O-CB 3.37Å; R1461-T1465 PolarHBondContact O-N 3.12Å; R1461-T1465 VanDerWaalsContact O-N 3.12Å; R1461-T1465 PolarHBondContact O-OG1 3.3Å; R1461-T1465 VanDerWaalsContact O-OG1 3.07Å; R1462-T1465 PolarHBondContact O-N 3.26Å; R1462-T1465 VanDerWaalsContact O-N 3.12Å; M1463-T1465 VanDerWaalsContact C-N 3.3Å; M1463-T1465 PolarHBondContact O-N 3.27Å; T1465-V1467 PolarHBondContact O-N 3.41Å; T1465-A1468 PolarHBondContact O-N 3.26Å; T1465-L1469 HydrophobicContact CG2-CD1 4.23Å; T1465-L1469 WeakPolarHBondContact O-CG 3.29Å; T1465-L1469 PolarHBondContact O-N 3.15Å |
| 1466 | I | 82.1 | Confident | 74.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | 178 | -61 | 167.2 | 0 | 0 | 0 | 110.9 | L1406 R1462 M1463 L1469 K1470 L1500 L1554 L1557 I1558 I1561 | L1406-I1466 HydrophobicContact CD1-CD1 4.31Å; L1406-I1466 HydrophobicContact CD1-CG1 4.19Å; L1406-I1466 HydrophobicContact CD2-CG1 4.14Å; R1462-I1466 HydrophobicContact CG-CD1 4.03Å; R1462-I1466 VanDerWaalsContact O-CG1 3.28Å; R1462-I1466 WeakPolarHBondContact O-CG1 3.11Å; R1462-I1466 PolarHBondContact O-N 3.1Å; M1463-I1466 PolarHBondContact O-N 3.14Å; M1463-I1466 VanDerWaalsContact O-N 3.16Å; I1466-L1469 PolarHBondContact O-N 3.27Å; I1466-K1470 WeakPolarHBondContact O-CB 3.24Å; I1466-K1470 PolarHBondContact O-N 3.19Å; I1466-L1500 HydrophobicContact CB-CD2 4.4Å; I1466-L1500 HydrophobicContact CD1-CD2 4.32Å; I1466-L1500 HydrophobicContact CG1-CD2 3.91Å; I1466-L1500 HydrophobicContact CG2-CD2 3.74Å; I1466-L1554 HydrophobicContact CD1-CD1 4.03Å; I1466-L1554 HydrophobicContact CD1-CD2 3.62Å; I1466-L1554 HydrophobicContact CD1-CG 4.31Å; I1466-L1557 HydrophobicContact CB-CD2 3.87Å; I1466-L1557 HydrophobicContact CD1-CD2 4.41Å; I1466-L1557 HydrophobicContact CG2-CD2 3.28Å; I1466-L1557 VanDerWaalsContact CG2-CD2 3.42Å; I1466-L1557 HydrophobicContact CG2-CG 4Å; I1466-I1558 HydrophobicContact CD1-CD1 4.29Å; I1466-I1558 HydrophobicContact CD1-CG1 4.39Å; I1466-I1558 HydrophobicContact CG2-CG1 4.42Å; I1466-I1561 HydrophobicContact CG2-CD1 3.32Å; I1466-I1561 VanDerWaalsContact CG2-CD1 3.46Å |
| 1467 | V | 80.2 | Confident | 73.4 | Confident | 34.6 Ų | 34.6 | 28.4 Ų | 28.4 | 21% | 0.21 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | M1463 S1464 T1465 L1469 K1470 Q1471 L1557 | M1463-V1467 WeakPolarHBondContact O-CB 3.3Å; M1463-V1467 VanDerWaalsContact O-CG2 3.28Å; M1463-V1467 WeakPolarHBondContact O-CG2 3.19Å; M1463-V1467 PolarHBondContact O-N 3.26Å; S1464-V1467 PolarHBondContact O-N 3.13Å; T1465-V1467 PolarHBondContact O-N 3.41Å; V1467-L1469 PolarHBondContact O-N 3.24Å; V1467-K1470 WeakPolarHBondContact O-CB 3.34Å; V1467-K1470 PolarHBondContact O-N 3.12Å; V1467-Q1471 WeakPolarHBondContact O-CG 3.35Å; V1467-Q1471 PolarHBondContact O-N 3.04Å; V1467-L1557 HydrophobicContact CG2-CD1 3.98Å; V1467-L1557 HydrophobicContact CG2-CD2 3.91Å |
| 1468 | A | 77.7 | Confident | 72.3 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1368 N1380 L1402 S1464 T1465 K1470 Q1471 I1472 | T1368-A1468 HydrophobicContact CG2-CB 4.37Å; N1380-A1468 WeakPolarHBondContact OD1-CB 3.33Å; L1402-A1468 HydrophobicContact CD1-CB 4.3Å; S1464-A1468 WeakPolarHBondContact O-CB 3.44Å; S1464-A1468 PolarHBondContact O-N 3.02Å; T1465-A1468 PolarHBondContact O-N 3.26Å; A1468-K1470 PolarHBondContact O-N 3.1Å; A1468-Q1471 PolarHBondContact O-N 2.95Å; A1468-I1472 WeakPolarHBondContact O-CD1 2.88Å; A1468-I1472 VanDerWaalsContact O-CG1 3.29Å; A1468-I1472 WeakPolarHBondContact O-CG1 3.39Å; A1468-I1472 PolarHBondContact O-N 3.13Å |
| 1469 | L | 80.1 | Confident | 71 | Confident | 2.4 Ų | 2.4 | 39.7 Ų | 39.7 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 175.3 | -75 | 165.6 | 0 | 0 | 0 | 112.5 | V1399 L1402 V1403 L1406 T1465 I1466 V1467 Q1471 I1472 Y1473 F1496 | V1399-L1469 HydrophobicContact CB-CD2 4.47Å; V1399-L1469 HydrophobicContact CG1-CD2 4.17Å; V1399-L1469 HydrophobicContact CG2-CD2 4.34Å; L1402-L1469 HydrophobicContact CB-CD1 4.14Å; L1402-L1469 HydrophobicContact CB-CD2 3.83Å; L1402-L1469 HydrophobicContact CB-CG 3.97Å; L1402-L1469 HydrophobicContact CD1-CD2 3.95Å; L1402-L1469 HydrophobicContact CD1-CG 4.05Å; L1402-L1469 HydrophobicContact CG-CD2 4.48Å; V1403-L1469 HydrophobicContact CG2-CD1 4.21Å; V1403-L1469 HydrophobicContact CG2-CD2 4.28Å; L1406-L1469 HydrophobicContact CD1-CD1 3.58Å; L1406-L1469 HydrophobicContact CG-CD1 4.47Å; T1465-L1469 HydrophobicContact CG2-CD1 4.23Å; T1465-L1469 WeakPolarHBondContact O-CG 3.29Å; T1465-L1469 PolarHBondContact O-N 3.15Å; I1466-L1469 PolarHBondContact O-N 3.27Å; V1467-L1469 PolarHBondContact O-N 3.24Å; L1469-Q1471 VanDerWaalsContact C-N 3.32Å; L1469-Q1471 PolarHBondContact O-N 3.23Å; L1469-I1472 PolarHBondContact O-N 3.15Å; L1469-Y1473 HydrophobicContact CD2-CE2 4.5Å; L1469-Y1473 VanDerWaalsContact O-CB 3.25Å; L1469-Y1473 WeakPolarHBondContact O-CB 3.37Å; L1469-Y1473 VanDerWaalsContact O-CD2 3.29Å; L1469-Y1473 WeakPolarHBondContact O-CD2 3.43Å; L1469-Y1473 PolarHBondContact O-N 3.06Å; L1469-F1496 HydrophobicContact CB-CD2 4.31Å; L1469-F1496 HydrophobicContact CB-CE2 3.57Å; L1469-F1496 VanDerWaalsContact CB-CE2 3.46Å; L1469-F1496 HydrophobicContact CB-CZ 4.12Å; L1469-F1496 HydrophobicContact CD1-CD2 3.84Å; L1469-F1496 HydrophobicContact CD1-CE2 3.73Å; L1469-F1496 HydrophobicContact CD2-CD2 4.03Å; L1469-F1496 HydrophobicContact CD2-CE2 4.1Å; L1469-F1496 HydrophobicContact CG-CD2 4.32Å; L1469-F1496 HydrophobicContact CG-CE2 4.03Å |
| 1470 | K | 79 | Confident | 69.4 | Low | 61.8 Ų | 61.8 | 46.9 Ų | 46.9 | 27% | 0.269 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 174.2 | 179 | -179.3 | -176.9 | 179.5 | 0 | 111.5 | I1466 V1467 A1468 Y1473 A1474 L1557 Q1560 I1561 | I1466-K1470 WeakPolarHBondContact O-CB 3.24Å; I1466-K1470 PolarHBondContact O-N 3.19Å; V1467-K1470 WeakPolarHBondContact O-CB 3.34Å; V1467-K1470 PolarHBondContact O-N 3.12Å; A1468-K1470 PolarHBondContact O-N 3.1Å; K1470-Y1473 PolarHBondContact O-N 3.32Å; K1470-A1474 VanDerWaalsContact O-CB 3.26Å; K1470-A1474 WeakPolarHBondContact O-CB 3.23Å; K1470-A1474 PolarHBondContact O-N 3.09Å; K1470-L1557 HydrophobicContact CD-CD1 4.2Å; K1470-Q1560 VanDerWaalsContact NZ-OE1 3.11Å; K1470-I1561 HydrophobicContact CB-CD1 3.85Å; K1470-I1561 HydrophobicContact CB-CG1 3.92Å; K1470-I1561 HydrophobicContact CD-CD1 4.16Å; K1470-I1561 HydrophobicContact CD-CG1 3.68Å; K1470-I1561 HydrophobicContact CG-CD1 4.25Å; K1470-I1561 HydrophobicContact CG-CG1 3.78Å |
| 1471 | Q | 74.7 | Confident | 67.8 | Low | 70.8 Ų | 70.8 | 50.9 Ų | 50.9 | 33% | 0.331 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.8 | -40.7 | -178.9 | -71.8 | -179.6 | -4.7 | 0 | 0 | 112.5 | N1380 N1384 V1467 A1468 L1469 Y1473 A1474 R1475 | N1380-Q1471 VanDerWaalsContact CG-OE1 3.26Å; N1380-Q1471 PolarHBondContact ND2-OE1 2.97Å; N1380-Q1471 VanDerWaalsContact ND2-OE1 3.13Å; N1384-Q1471 WeakPolarHBondContact ND2-CB 3.36Å; V1467-Q1471 WeakPolarHBondContact O-CG 3.35Å; V1467-Q1471 PolarHBondContact O-N 3.04Å; A1468-Q1471 PolarHBondContact O-N 2.95Å; L1469-Q1471 VanDerWaalsContact C-N 3.32Å; L1469-Q1471 PolarHBondContact O-N 3.23Å; Q1471-Y1473 VanDerWaalsContact C-N 3.32Å; Q1471-A1474 PolarHBondContact O-N 2.93Å; Q1471-R1475 WeakPolarHBondContact O-CB 3.34Å; Q1471-R1475 PolarHBondContact O-N 3.11Å |
| 1472 | I | 72.4 | Confident | 66.3 | Low | 2.6 Ų | 2.6 | 51.7 Ų | 51.7 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.7 | -52.6 | 172.8 | -67.4 | 162.5 | 0 | 0 | 0 | 109.1 | L1383 N1384 I1388 V1398 V1399 L1402 A1468 L1469 A1474 R1475 H1476 | L1383-I1472 HydrophobicContact CD2-CD1 4.24Å; L1383-I1472 HydrophobicContact CD2-CG1 4.02Å; N1384-I1472 WeakPolarHBondContact OD1-CA 3.32Å; N1384-I1472 WeakPolarHBondContact OD1-CG1 3.41Å; I1388-I1472 HydrophobicContact CD1-CG1 4.12Å; I1388-I1472 HydrophobicContact CD1-CG2 4.14Å; V1398-I1472 HydrophobicContact CG1-CD1 3.83Å; V1399-I1472 HydrophobicContact CG2-CD1 4.41Å; V1399-I1472 HydrophobicContact CG2-CG2 3.92Å; L1402-I1472 HydrophobicContact CD1-CD1 3.76Å; A1468-I1472 WeakPolarHBondContact O-CD1 2.88Å; A1468-I1472 VanDerWaalsContact O-CG1 3.29Å; A1468-I1472 WeakPolarHBondContact O-CG1 3.39Å; A1468-I1472 PolarHBondContact O-N 3.13Å; L1469-I1472 PolarHBondContact O-N 3.15Å; I1472-A1474 PolarHBondContact O-N 2.81Å; I1472-R1475 PolarHBondContact O-N 3.07Å; I1472-H1476 WeakPolarHBondContact CG2-NE2 3.41Å; I1472-H1476 PolarHBondContact O-CD2 3.21Å; I1472-H1476 PolarHBondContact O-N 3.34Å |
| 1473 | Y | 69.6 | Low | 64.8 | Low | 9.6 Ų | 9.6 | 53.3 Ų | 53.3 | 4% | 0.038 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 179.4 | -163.7 | -89.4 | 0 | 0 | 0 | 113.5 | V1399 L1469 K1470 Q1471 R1475 H1476 H1477 F1486 L1488 F1493 F1496 F1565 L1568 | V1399-Y1473 HydrophobicContact CG1-CE2 4.35Å; V1399-Y1473 WeakPolarHBondContact CG1-OH 3.28Å; L1469-Y1473 HydrophobicContact CD2-CE2 4.5Å; L1469-Y1473 VanDerWaalsContact O-CB 3.25Å; L1469-Y1473 WeakPolarHBondContact O-CB 3.37Å; L1469-Y1473 VanDerWaalsContact O-CD2 3.29Å; L1469-Y1473 WeakPolarHBondContact O-CD2 3.43Å; L1469-Y1473 PolarHBondContact O-N 3.06Å; K1470-Y1473 PolarHBondContact O-N 3.32Å; Q1471-Y1473 VanDerWaalsContact C-N 3.32Å; Y1473-R1475 VanDerWaalsContact C-N 3.26Å; Y1473-R1475 PolarHBondContact O-N 2.94Å; Y1473-R1475 VanDerWaalsContact O-N 3.08Å; Y1473-H1476 WeakPolarHBondContact O-CB 3.28Å; Y1473-H1476 PolarHBondContact O-N 3.08Å; Y1473-H1476 VanDerWaalsContact O-N 3.13Å; Y1473-H1477 PolarHBondContact O-N 3.19Å; Y1473-F1486 HydrophobicContact CD2-CE2 4.38Å; Y1473-F1486 HydrophobicContact CD2-CZ 4.31Å; Y1473-F1486 HydrophobicContact CE2-CE1 4.31Å; Y1473-F1486 AromaticContact CE2-CE2 3.69Å; Y1473-F1486 HydrophobicContact CE2-CE2 3.95Å; Y1473-F1486 AromaticContact CE2-CZ 3.41Å; Y1473-F1486 HydrophobicContact CE2-CZ 3.68Å; Y1473-F1486 VanDerWaalsContact CE2-CZ 3.5Å; Y1473-F1486 AromaticContact CZ-CZ 3.88Å; Y1473-F1486 WeakPolarHBondContact OH-CZ 3.15Å; Y1473-L1488 HydrophobicContact CD1-CD1 4.35Å; Y1473-L1488 HydrophobicContact CE1-CD1 3.85Å; Y1473-F1493 AromaticContact CD1-CD2 3.93Å; Y1473-F1493 HydrophobicContact CD1-CD2 3.93Å; Y1473-F1493 HydrophobicContact CD1-CE2 4.43Å; Y1473-F1493 HydrophobicContact CD2-CE2 4.24Å; Y1473-F1493 HydrophobicContact CE1-CB 4.21Å; Y1473-F1493 AromaticContact CE1-CD2 3.61Å; Y1473-F1493 HydrophobicContact CE1-CD2 3.61Å; Y1473-F1493 HydrophobicContact CE1-CG 4.38Å; Y1473-F1493 HydrophobicContact CE2-CD2 4.32Å; Y1473-F1493 AromaticContact CE2-CE2 3.54Å; Y1473-F1493 HydrophobicContact CE2-CE2 3.66Å; Y1473-F1493 VanDerWaalsContact CE2-CE2 3.44Å; Y1473-F1493 HydrophobicContact CE2-CZ 4.32Å; Y1473-F1493 AromaticContact CZ-CD2 3.93Å; Y1473-F1493 WeakPolarHBondContact OH-CA 3.5Å; Y1473-F1496 AromaticContact CD2-CD1 3.77Å; Y1473-F1496 HydrophobicContact CD2-CD1 3.77Å; Y1473-F1496 AromaticContact CD2-CE1 3.77Å; Y1473-F1496 HydrophobicContact CD2-CE1 4.14Å; Y1473-F1496 HydrophobicContact CD2-CG 4.45Å; Y1473-F1496 HydrophobicContact CD2-CZ 4.45Å; Y1473-F1496 HydrophobicContact CE2-CB 4.18Å; Y1473-F1496 AromaticContact CE2-CD1 3.55Å; Y1473-F1496 HydrophobicContact CE2-CD1 3.55Å; Y1473-F1496 HydrophobicContact CE2-CE1 4.04Å; Y1473-F1496 AromaticContact CE2-CG 3.89Å; Y1473-F1496 HydrophobicContact CE2-CG 3.89Å; Y1473-F1565 AromaticContact CD1-CD1 3.91Å; Y1473-F1565 HydrophobicContact CD1-CD1 4.18Å; Y1473-F1565 AromaticContact CD1-CE1 3.71Å; Y1473-F1565 HydrophobicContact CD1-CE1 3.71Å; Y1473-F1565 HydrophobicContact CD2-CD1 4.42Å; Y1473-F1565 AromaticContact CD2-CE1 3.93Å; Y1473-F1565 HydrophobicContact CD2-CE1 4.04Å; Y1473-F1565 AromaticContact CE1-CD1 3.38Å; Y1473-F1565 HydrophobicContact CE1-CD1 3.38Å; Y1473-F1565 AromaticContact CE1-CE1 3.37Å; Y1473-F1565 HydrophobicContact CE1-CE1 3.37Å; Y1473-F1565 VanDerWaalsContact CE1-CE1 3.45Å; Y1473-F1565 HydrophobicContact CE1-CZ 4.4Å; Y1473-F1565 AromaticContact CE2-CD1 3.84Å; Y1473-F1565 HydrophobicContact CE2-CD1 4.03Å; Y1473-F1565 AromaticContact CE2-CE1 3.69Å; Y1473-F1565 HydrophobicContact CE2-CE1 3.69Å; Y1473-F1565 VanDerWaalsContact CE2-CE1 3.47Å; Y1473-F1565 HydrophobicContact CE2-CZ 4.33Å; Y1473-F1565 HydrophobicContact CG-CD1 4.43Å; Y1473-F1565 AromaticContact CG-CE1 3.82Å; Y1473-F1565 HydrophobicContact CG-CE1 4.03Å; Y1473-F1565 AromaticContact CZ-CD1 3.27Å; Y1473-F1565 VanDerWaalsContact CZ-CD1 3.41Å; Y1473-F1565 AromaticContact CZ-CE1 3.34Å; Y1473-F1565 VanDerWaalsContact OH-CD1 3.25Å; Y1473-F1565 WeakPolarHBondContact OH-CD1 3.34Å; Y1473-F1565 WeakPolarHBondContact OH-CE1 3.48Å; Y1473-L1568 HydrophobicContact CE1-CD1 3.85Å; Y1473-L1568 HydrophobicContact CE2-CD1 4.18Å; Y1473-L1568 VanDerWaalsContact OH-CD1 3.23Å; Y1473-L1568 WeakPolarHBondContact OH-CD1 3.23Å |
| 1474 | A | 66.9 | Low | 63.4 | Low | 44.2 Ų | 44.2 | 52.1 Ų | 52.1 | 37% | 0.365 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -28.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1470 Q1471 I1472 H1477 W1478 | K1470-A1474 VanDerWaalsContact O-CB 3.26Å; K1470-A1474 WeakPolarHBondContact O-CB 3.23Å; K1470-A1474 PolarHBondContact O-N 3.09Å; Q1471-A1474 PolarHBondContact O-N 2.93Å; I1472-A1474 PolarHBondContact O-N 2.81Å; A1474-H1477 VanDerWaalsContact O-CB 3.29Å; A1474-H1477 WeakPolarHBondContact O-CB 3.36Å; A1474-H1477 PolarHBondContact O-CD2 2.97Å; A1474-H1477 PolarHBondContact O-N 3.07Å; A1474-H1477 VanDerWaalsContact O-N 3.17Å; A1474-W1478 PolarHBondContact O-N 2.89Å |
| 1475 | R | 59.7 | Low | 62.1 | Low | 87.2 Ų | 87.2 | 52.9 Ų | 52.9 | 33% | 0.329 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -81.6 | -33.4 | 178.5 | -159.3 | 156.3 | 179.4 | 150.5 | -1.4 | 113.2 | N1384 A1385 Q1471 I1472 Y1473 H1477 W1478 N1479 | N1384-R1475 VanDerWaalsContact O-CD 3.28Å; N1384-R1475 WeakPolarHBondContact O-CD 3.3Å; N1384-R1475 PolarHBondContact O-NE 3.39Å; N1384-R1475 PolarHBondContact O-NH2 3.31Å; A1385-R1475 VanDerWaalsContact CA-NH1 3.31Å; A1385-R1475 VanDerWaalsContact CA-NH2 3.29Å; A1385-R1475 VanDerWaalsContact CB-CZ 3.48Å; A1385-R1475 VanDerWaalsContact CB-NH1 3.33Å; A1385-R1475 VanDerWaalsContact N-NH1 3.19Å; A1385-R1475 PolarHBondContact O-NH2 3.02Å; Q1471-R1475 WeakPolarHBondContact O-CB 3.34Å; Q1471-R1475 PolarHBondContact O-N 3.11Å; I1472-R1475 PolarHBondContact O-N 3.07Å; Y1473-R1475 VanDerWaalsContact C-N 3.26Å; Y1473-R1475 PolarHBondContact O-N 2.94Å; Y1473-R1475 VanDerWaalsContact O-N 3.08Å; R1475-H1477 PolarHBondContact O-N 3.2Å; R1475-H1477 VanDerWaalsContact O-N 3.17Å; R1475-W1478 PolarHBondContact O-N 3.34Å; R1475-W1478 VanDerWaalsContact O-N 3.1Å; R1475-N1479 WeakPolarHBondContact CD-ND2 3.4Å; R1475-N1479 VanDerWaalsContact CZ-ND2 3.27Å; R1475-N1479 PolarHBondContact NE-ND2 3.42Å; R1475-N1479 PolarHBondContact NH1-OD1 2.78Å; R1475-N1479 PolarHBondContact O-N 3.2Å; R1475-N1479 VanDerWaalsContact O-N 3.16Å |
| 1476 | H | 57.1 | Low | 60.7 | Low | 12.2 Ų | 12.2 | 54.6 Ų | 54.6 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.4 | -29.7 | 171.1 | -75 | -66.3 | 0 | 0 | 0 | 111.8 | I1388 I1472 Y1473 W1478 E1481 Y1482 D1483 E1484 L1485 F1486 | I1388-H1476 WeakPolarHBondContact CG2-CE1 3.42Å; I1472-H1476 WeakPolarHBondContact CG2-NE2 3.41Å; I1472-H1476 PolarHBondContact O-CD2 3.21Å; I1472-H1476 PolarHBondContact O-N 3.34Å; Y1473-H1476 WeakPolarHBondContact O-CB 3.28Å; Y1473-H1476 PolarHBondContact O-N 3.08Å; Y1473-H1476 VanDerWaalsContact O-N 3.13Å; H1476-W1478 VanDerWaalsContact C-N 3.26Å; H1476-W1478 PolarHBondContact O-N 3.35Å; H1476-E1481 PolarHBondContact CE1-O 3.27Å; H1476-E1481 WeakPolarHBondContact ND1-CB 3.15Å; H1476-E1481 PolarHBondContact ND1-O 2.87Å; H1476-Y1482 PolarHBondContact CE1-O 2.79Å; H1476-Y1482 VanDerWaalsContact CE1-O 3.3Å; H1476-Y1482 PolarHBondContact ND1-O 2.98Å; H1476-Y1482 WeakPolarHBondContact O-CD2 3.41Å; H1476-Y1482 WeakPolarHBondContact O-CE2 3.49Å; H1476-D1483 WeakPolarHBondContact CB-OD1 3.36Å; H1476-D1483 IonicContact CG-OD1 2.87Å; H1476-D1483 IonicContact ND1-OD1 3.91Å; H1476-E1484 IonicContact CE1-OE2 3.71Å; H1476-E1484 PolarHBondContact CE1-OE2 2.64Å; H1476-E1484 IonicContact CG-OE2 3.66Å; H1476-E1484 IonicContact ND1-OE2 2.7Å; H1476-E1484 PolarHBondContact ND1-OE2 2.74Å; H1476-L1485 VanDerWaalsContact CD2-CD1 3.44Å; H1476-L1485 WeakPolarHBondContact CD2-CD1 3.36Å; H1476-L1485 WeakPolarHBondContact NE2-CD1 3.34Å; H1476-F1486 HydrophobicContact CB-CE2 4.46Å |
| 1477 | H | 49.5 | Very low | 59.1 | Low | 69.6 Ų | 69.6 | 58.8 Ų | 58.8 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -37.7 | 173.6 | -165.5 | -87.7 | 0 | 0 | 0 | 114.8 | Y1473 A1474 R1475 R1480 Y1482 Q1567 L1568 | Y1473-H1477 PolarHBondContact O-N 3.19Å; A1474-H1477 VanDerWaalsContact O-CB 3.29Å; A1474-H1477 WeakPolarHBondContact O-CB 3.36Å; A1474-H1477 PolarHBondContact O-CD2 2.97Å; A1474-H1477 PolarHBondContact O-N 3.07Å; A1474-H1477 VanDerWaalsContact O-N 3.17Å; R1475-H1477 PolarHBondContact O-N 3.2Å; R1475-H1477 VanDerWaalsContact O-N 3.17Å; H1477-R1480 PolarHBondContact CE1-NH2 3.14Å; H1477-R1480 PolarHBondContact NE2-NH2 3.13Å; H1477-R1480 VanDerWaalsContact NE2-NH2 3.15Å; H1477-R1480 WeakPolarHBondContact O-CG 3.44Å; H1477-Y1482 PolarHBondContact ND1-OH 3.44Å; H1477-Y1482 WeakPolarHBondContact O-CE2 3.25Å; H1477-Q1567 PolarHBondContact CE1-OE1 2.9Å; H1477-Q1567 VanDerWaalsContact CE1-OE1 3.29Å; H1477-Q1567 PolarHBondContact NE2-OE1 3.44Å; H1477-L1568 HydrophobicContact CB-CD1 4.46Å; H1477-L1568 VanDerWaalsContact CE1-CD2 3.46Å; H1477-L1568 WeakPolarHBondContact CE1-CD2 3.35Å; H1477-L1568 VanDerWaalsContact CE1-CG 3.42Å; H1477-L1568 WeakPolarHBondContact CE1-CG 3.25Å; H1477-L1568 VanDerWaalsContact NE2-CD1 3.34Å; H1477-L1568 WeakPolarHBondContact NE2-CD1 3.12Å |
| 1478 | W | 46.8 | Very low | 57.9 | Low | 208.4 Ų | 208.4 | 59.1 Ų | 59.1 | 79% | 0.789 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -29.4 | -171.5 | -70 | 88.9 | 0 | 0 | 0 | 114.1 | A1474 R1475 H1476 R1480 | A1474-W1478 PolarHBondContact O-N 2.89Å; R1475-W1478 PolarHBondContact O-N 3.34Å; R1475-W1478 VanDerWaalsContact O-N 3.1Å; H1476-W1478 VanDerWaalsContact C-N 3.26Å; H1476-W1478 PolarHBondContact O-N 3.35Å; W1478-R1480 VanDerWaalsContact C-N 3.33Å; W1478-R1480 PolarHBondContact O-N 3.07Å |
| 1479 | N | 45.8 | Very low | 57.2 | Low | 65 Ų | 65 | 61.8 Ų | 61.8 | 35% | 0.348 | 28% | 0.275 | S | S | . | . | trans | -100.6 | 69.8 | -175.3 | -74.5 | -22.5 | 0 | 0 | 0 | 111.3 | R1475 E1481 Y1482 | R1475-N1479 WeakPolarHBondContact CD-ND2 3.4Å; R1475-N1479 VanDerWaalsContact CZ-ND2 3.27Å; R1475-N1479 PolarHBondContact NE-ND2 3.42Å; R1475-N1479 PolarHBondContact NH1-OD1 2.78Å; R1475-N1479 PolarHBondContact O-N 3.2Å; R1475-N1479 VanDerWaalsContact O-N 3.16Å; N1479-E1481 PolarHBondContact O-N 3.29Å; N1479-Y1482 HydrophobicContact CB-CD2 3.59Å; N1479-Y1482 HydrophobicContact CB-CE2 3.52Å; N1479-Y1482 HydrophobicContact CB-CG 4.18Å; N1479-Y1482 WeakPolarHBondContact ND2-CD2 3.43Å; N1479-Y1482 WeakPolarHBondContact ND2-CE2 2.95Å; N1479-Y1482 PolarHBondContact O-N 3.03Å | ||
| 1480 | R | 42.9 | Very low | 56.4 | Low | 174.8 Ų | 174.8 | 62.5 Ų | 62.5 | 66% | 0.66 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13.3 | -179.7 | -72.2 | -176 | 177 | 177.3 | -0.2 | 114.8 | T1348 H1477 W1478 Y1482 E1484 | T1348-R1480 PolarHBondContact OG1-NH1 3.29Å; H1477-R1480 PolarHBondContact CE1-NH2 3.14Å; H1477-R1480 PolarHBondContact NE2-NH2 3.13Å; H1477-R1480 VanDerWaalsContact NE2-NH2 3.15Å; H1477-R1480 WeakPolarHBondContact O-CG 3.44Å; W1478-R1480 VanDerWaalsContact C-N 3.33Å; W1478-R1480 PolarHBondContact O-N 3.07Å; R1480-Y1482 VanDerWaalsContact C-N 3.32Å; R1480-Y1482 PolarHBondContact O-N 3.01Å; R1480-Y1482 VanDerWaalsContact O-N 3.16Å; R1480-E1484 IonicContact CZ-OE1 3.19Å; R1480-E1484 IonicContact NH1-OE1 2.88Å; R1480-E1484 PolarHBondContact NH1-OE1 3Å; R1480-E1484 IonicContact NH2-OE1 3.53Å |
| 1481 | E | 42.8 | Very low | 56.1 | Low | 114.8 Ų | 114.8 | 61.8 Ų | 61.8 | 54% | 0.536 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -68.1 | -19.4 | 176 | -66.6 | -179.8 | 167.1 | 0 | 0 | 113.1 | W1083 H1084 I1388 H1476 N1479 D1483 | W1083-E1481 HydrophobicContact CH2-CB 4Å; W1083-E1481 WeakPolarHBondContact CH2-O 3.28Å; W1083-E1481 HydrophobicContact CZ2-CB 4.43Å; W1083-E1481 WeakPolarHBondContact CZ2-O 3.21Å; W1083-E1481 VanDerWaalsContact CZ3-O 3.22Å; W1083-E1481 WeakPolarHBondContact CZ3-O 3.12Å; H1084-E1481 PolarHBondContact NE2-O 3.04Å; I1388-E1481 HydrophobicContact CG2-CG 4.21Å; H1476-E1481 PolarHBondContact CE1-O 3.27Å; H1476-E1481 WeakPolarHBondContact ND1-CB 3.15Å; H1476-E1481 PolarHBondContact ND1-O 2.87Å; N1479-E1481 PolarHBondContact O-N 3.29Å; E1481-D1483 PolarHBondContact O-N 3.05Å |
| 1482 | Y | 45.5 | Very low | 56 | Low | 75.4 Ų | 75.4 | 58.6 Ų | 58.6 | 30% | 0.296 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -111.2 | 33.5 | -176 | -65.8 | -70 | 0 | 0 | 0 | 113.8 | W1083 K1389 H1476 H1477 N1479 R1480 E1484 F1486 L1568 Y1575 | W1083-Y1482 HydrophobicContact CH2-CD1 4.15Å; W1083-Y1482 HydrophobicContact CH2-CE1 4.27Å; W1083-Y1482 AromaticContact CZ2-CD1 3.68Å; W1083-Y1482 HydrophobicContact CZ2-CD1 4.01Å; W1083-Y1482 HydrophobicContact CZ2-CE1 4.21Å; K1389-Y1482 HydrophobicContact CB-CE1 4.48Å; K1389-Y1482 VanDerWaalsContact CE-OH 3.28Å; K1389-Y1482 WeakPolarHBondContact CE-OH 3.25Å; K1389-Y1482 HydrophobicContact CG-CE1 4.04Å; K1389-Y1482 HydrophobicContact CG-CE2 3.84Å; K1389-Y1482 WeakPolarHBondContact CG-OH 3.45Å; K1389-Y1482 WeakPolarHBondContact O-CE1 3.42Å; H1476-Y1482 PolarHBondContact CE1-O 2.79Å; H1476-Y1482 VanDerWaalsContact CE1-O 3.3Å; H1476-Y1482 PolarHBondContact ND1-O 2.98Å; H1476-Y1482 WeakPolarHBondContact O-CD2 3.41Å; H1476-Y1482 WeakPolarHBondContact O-CE2 3.49Å; H1477-Y1482 PolarHBondContact ND1-OH 3.44Å; H1477-Y1482 WeakPolarHBondContact O-CE2 3.25Å; N1479-Y1482 HydrophobicContact CB-CD2 3.59Å; N1479-Y1482 HydrophobicContact CB-CE2 3.52Å; N1479-Y1482 HydrophobicContact CB-CG 4.18Å; N1479-Y1482 WeakPolarHBondContact ND2-CD2 3.43Å; N1479-Y1482 WeakPolarHBondContact ND2-CE2 2.95Å; N1479-Y1482 PolarHBondContact O-N 3.03Å; R1480-Y1482 VanDerWaalsContact C-N 3.32Å; R1480-Y1482 PolarHBondContact O-N 3.01Å; R1480-Y1482 VanDerWaalsContact O-N 3.16Å; Y1482-E1484 VanDerWaalsContact C-N 3.3Å; Y1482-E1484 WeakPolarHBondContact O-CG 3.43Å; Y1482-E1484 PolarHBondContact O-N 3.07Å; Y1482-F1486 HydrophobicContact CD1-CD2 4.21Å; Y1482-L1568 HydrophobicContact CE1-CD2 3.78Å; Y1482-L1568 WeakPolarHBondContact OH-CD2 3.47Å; Y1482-Y1575 HydrophobicContact CE1-CE2 4.45Å |
| 1483 | D | 47.9 | Very low | 56.1 | Low | 38.2 Ų | 38.2 | 59.1 Ų | 59.1 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | trans | -62.2 | 42.7 | 180 | -121.2 | -1.4 | 0 | 0 | 0 | 114.2 | H1476 E1481 L1485 F1486 R1487 L1488 | H1476-D1483 WeakPolarHBondContact CB-OD1 3.36Å; H1476-D1483 IonicContact CG-OD1 2.87Å; H1476-D1483 IonicContact ND1-OD1 3.91Å; E1481-D1483 PolarHBondContact O-N 3.05Å; D1483-L1485 VanDerWaalsContact C-N 3.3Å; D1483-L1485 PolarHBondContact O-N 3.37Å; D1483-L1485 PolarHBondContact OD1-N 3.5Å; D1483-L1485 VanDerWaalsContact OD1-N 3.1Å; D1483-F1486 HydrophobicContact CB-CD2 3.82Å; D1483-F1486 HydrophobicContact CB-CE2 4.35Å; D1483-F1486 VanDerWaalsContact CG-CD2 3.48Å; D1483-F1486 WeakPolarHBondContact O-CB 3.34Å; D1483-F1486 PolarHBondContact O-N 3.27Å; D1483-F1486 VanDerWaalsContact OD1-CD2 3.23Å; D1483-F1486 WeakPolarHBondContact OD1-CD2 3.21Å; D1483-F1486 WeakPolarHBondContact OD1-CE2 3.42Å; D1483-F1486 VanDerWaalsContact OD2-CD2 3.27Å; D1483-F1486 WeakPolarHBondContact OD2-CD2 3.35Å; D1483-F1486 WeakPolarHBondContact OD2-CE2 3.43Å; D1483-R1487 HydrophobicContact CB-CB 4.3Å; D1483-R1487 HydrophobicContact CB-CG 4.11Å; D1483-R1487 VanDerWaalsContact O-CA 3.28Å; D1483-R1487 WeakPolarHBondContact O-CA 3.4Å; D1483-R1487 WeakPolarHBondContact O-CB 3.34Å; D1483-R1487 WeakPolarHBondContact O-CG 3.5Å; D1483-R1487 PolarHBondContact O-N 3.07Å; D1483-R1487 VanDerWaalsContact O-N 3.12Å; D1483-R1487 VanDerWaalsContact OD1-CD 3.3Å; D1483-R1487 WeakPolarHBondContact OD1-CD 3.32Å; D1483-R1487 IonicContact OD1-CZ 2.63Å; D1483-R1487 IonicContact OD1-NE 3.14Å; D1483-R1487 PolarHBondContact OD1-NE 3.19Å; D1483-R1487 IonicContact OD1-NH1 2.69Å; D1483-R1487 PolarHBondContact OD1-NH1 3.41Å; D1483-R1487 IonicContact OD1-NH2 3.65Å; D1483-R1487 IonicContact OD2-CZ 3.39Å; D1483-R1487 IonicContact OD2-NE 3.6Å; D1483-R1487 PolarHBondContact OD2-NE 3.34Å; D1483-R1487 IonicContact OD2-NH1 2.74Å; D1483-R1487 PolarHBondContact OD2-NH1 3.11Å; D1483-R1487 IonicContact OD2-NH2 3.56Å; D1483-R1487 PolarHBondContact OD2-NH2 3.19Å; D1483-L1488 PolarHBondContact O-N 3.34Å | ||
| 1484 | E | 50.4 | Low | 56.2 | Low | 17.8 Ų | 17.8 | 59.2 Ų | 59.2 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -64.8 | -38.4 | -174.7 | -65.9 | -164.8 | 153.3 | 0 | 0 | 112.9 | W1083 P1392 S1393 T1396 H1476 R1480 Y1482 F1486 R1487 L1488 N1489 | W1083-E1484 WeakPolarHBondContact CZ2-OE1 3.3Å; P1392-E1484 WeakPolarHBondContact CA-OE1 3.41Å; P1392-E1484 HydrophobicContact CB-CG 4.06Å; P1392-E1484 VanDerWaalsContact CB-OE1 3.3Å; P1392-E1484 WeakPolarHBondContact CB-OE1 3.43Å; S1393-E1484 VanDerWaalsContact N-CD 3.35Å; S1393-E1484 PolarHBondContact N-OE1 3.17Å; S1393-E1484 PolarHBondContact N-OE2 3.25Å; S1393-E1484 VanDerWaalsContact N-OE2 3.08Å; T1396-E1484 HydrophobicContact CG2-CB 4.33Å; H1476-E1484 IonicContact CE1-OE2 3.71Å; H1476-E1484 PolarHBondContact CE1-OE2 2.64Å; H1476-E1484 IonicContact CG-OE2 3.66Å; H1476-E1484 IonicContact ND1-OE2 2.7Å; H1476-E1484 PolarHBondContact ND1-OE2 2.74Å; R1480-E1484 IonicContact CZ-OE1 3.19Å; R1480-E1484 IonicContact NH1-OE1 2.88Å; R1480-E1484 PolarHBondContact NH1-OE1 3Å; R1480-E1484 IonicContact NH2-OE1 3.53Å; Y1482-E1484 VanDerWaalsContact C-N 3.3Å; Y1482-E1484 WeakPolarHBondContact O-CG 3.43Å; Y1482-E1484 PolarHBondContact O-N 3.07Å; E1484-F1486 VanDerWaalsContact C-N 3.33Å; E1484-F1486 PolarHBondContact O-N 3.23Å; E1484-R1487 WeakPolarHBondContact O-CB 3.38Å; E1484-R1487 PolarHBondContact O-N 3.17Å; E1484-L1488 HydrophobicContact CB-CB 4.46Å; E1484-L1488 HydrophobicContact CB-CD1 4.09Å; E1484-L1488 HydrophobicContact CB-CG 4.34Å; E1484-L1488 HydrophobicContact CG-CD1 3.96Å; E1484-L1488 HydrophobicContact CG-CG 4.46Å; E1484-L1488 WeakPolarHBondContact O-CA 3.26Å; E1484-L1488 VanDerWaalsContact O-CB 3.28Å; E1484-L1488 WeakPolarHBondContact O-CB 3.18Å; E1484-L1488 PolarHBondContact O-N 3.35Å; E1484-L1488 WeakPolarHBondContact OE1-CD1 3.37Å; E1484-N1489 PolarHBondContact O-N 3.1Å; E1484-N1489 VanDerWaalsContact O-N 3.07Å |
| 1485 | L | 51 | Low | 56.8 | Low | 20.2 Ų | 20.2 | 61.2 Ų | 61.2 | 11% | 0.106 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -34 | -179.6 | -89.3 | 160.1 | 0 | 0 | 0 | 112.5 | T1396 V1399 H1476 D1483 R1487 N1489 P1490 L1492 F1493 P1569 | T1396-L1485 HydrophobicContact CG2-CD2 4.35Å; T1396-L1485 HydrophobicContact CG2-CG 4.47Å; V1399-L1485 HydrophobicContact CB-CD1 4.48Å; V1399-L1485 HydrophobicContact CB-CD2 4.09Å; V1399-L1485 HydrophobicContact CG1-CD1 4.28Å; V1399-L1485 HydrophobicContact CG1-CD2 3.94Å; V1399-L1485 HydrophobicContact CG2-CD1 3.91Å; V1399-L1485 HydrophobicContact CG2-CD2 4.11Å; H1476-L1485 VanDerWaalsContact CD2-CD1 3.44Å; H1476-L1485 WeakPolarHBondContact CD2-CD1 3.36Å; H1476-L1485 WeakPolarHBondContact NE2-CD1 3.34Å; D1483-L1485 VanDerWaalsContact C-N 3.3Å; D1483-L1485 PolarHBondContact O-N 3.37Å; D1483-L1485 PolarHBondContact OD1-N 3.5Å; D1483-L1485 VanDerWaalsContact OD1-N 3.1Å; L1485-R1487 VanDerWaalsContact C-N 3.25Å; L1485-R1487 PolarHBondContact O-N 3.33Å; L1485-N1489 CarbonylContact O-C 3.52Å; L1485-N1489 VanDerWaalsContact O-C 3.25Å; L1485-N1489 PolarHBondContact O-N 3.35Å; L1485-N1489 VanDerWaalsContact O-O 3.09Å; L1485-P1490 WeakPolarHBondContact O-CA 3.43Å; L1485-L1492 HydrophobicContact CD2-CD2 3.86Å; L1485-L1492 HydrophobicContact CD2-CG 4.11Å; L1485-F1493 HydrophobicContact CD2-CB 3.62Å; L1485-F1493 HydrophobicContact CD2-CD2 4.06Å; L1485-F1493 HydrophobicContact CD2-CG 4.34Å; L1485-P1569 HydrophobicContact CD1-CG 4.32Å |
| 1486 | F | 52.5 | Low | 57.7 | Low | 36.4 Ų | 36.4 | 57.2 Ų | 57.2 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -86.6 | -28.7 | 178.3 | -68.9 | -85.4 | 0 | 0 | 0 | 113.3 | Y1473 H1476 Y1482 D1483 E1484 F1493 L1568 P1569 I1570 R1627 | Y1473-F1486 HydrophobicContact CD2-CE2 4.38Å; Y1473-F1486 HydrophobicContact CD2-CZ 4.31Å; Y1473-F1486 HydrophobicContact CE2-CE1 4.31Å; Y1473-F1486 AromaticContact CE2-CE2 3.69Å; Y1473-F1486 HydrophobicContact CE2-CE2 3.95Å; Y1473-F1486 AromaticContact CE2-CZ 3.41Å; Y1473-F1486 HydrophobicContact CE2-CZ 3.68Å; Y1473-F1486 VanDerWaalsContact CE2-CZ 3.5Å; Y1473-F1486 AromaticContact CZ-CZ 3.88Å; Y1473-F1486 WeakPolarHBondContact OH-CZ 3.15Å; H1476-F1486 HydrophobicContact CB-CE2 4.46Å; Y1482-F1486 HydrophobicContact CD1-CD2 4.21Å; D1483-F1486 HydrophobicContact CB-CD2 3.82Å; D1483-F1486 HydrophobicContact CB-CE2 4.35Å; D1483-F1486 VanDerWaalsContact CG-CD2 3.48Å; D1483-F1486 WeakPolarHBondContact O-CB 3.34Å; D1483-F1486 PolarHBondContact O-N 3.27Å; D1483-F1486 VanDerWaalsContact OD1-CD2 3.23Å; D1483-F1486 WeakPolarHBondContact OD1-CD2 3.21Å; D1483-F1486 WeakPolarHBondContact OD1-CE2 3.42Å; D1483-F1486 VanDerWaalsContact OD2-CD2 3.27Å; D1483-F1486 WeakPolarHBondContact OD2-CD2 3.35Å; D1483-F1486 WeakPolarHBondContact OD2-CE2 3.43Å; E1484-F1486 VanDerWaalsContact C-N 3.33Å; E1484-F1486 PolarHBondContact O-N 3.23Å; F1486-F1493 HydrophobicContact CD1-CD1 4.38Å; F1486-F1493 HydrophobicContact CD1-CD2 4.39Å; F1486-F1493 HydrophobicContact CD1-CG 4.39Å; F1486-F1493 AromaticContact CE1-CD1 3.66Å; F1486-F1493 HydrophobicContact CE1-CD1 3.86Å; F1486-F1493 AromaticContact CE1-CD2 3.88Å; F1486-F1493 HydrophobicContact CE1-CD2 4.07Å; F1486-F1493 AromaticContact CE1-CE1 3.63Å; F1486-F1493 HydrophobicContact CE1-CE1 3.9Å; F1486-F1493 AromaticContact CE1-CE2 3.76Å; F1486-F1493 HydrophobicContact CE1-CE2 3.95Å; F1486-F1493 AromaticContact CE1-CG 3.85Å; F1486-F1493 HydrophobicContact CE1-CG 3.94Å; F1486-F1493 AromaticContact CE1-CZ 3.78Å; F1486-F1493 HydrophobicContact CE1-CZ 3.85Å; F1486-F1493 HydrophobicContact CE2-CD2 4.29Å; F1486-F1493 HydrophobicContact CE2-CE2 4.23Å; F1486-F1493 HydrophobicContact CZ-CD1 4.24Å; F1486-F1493 AromaticContact CZ-CD2 3.78Å; F1486-F1493 HydrophobicContact CZ-CD2 3.96Å; F1486-F1493 AromaticContact CZ-CE1 3.79Å; F1486-F1493 HydrophobicContact CZ-CE1 4.03Å; F1486-F1493 AromaticContact CZ-CE2 3.54Å; F1486-F1493 HydrophobicContact CZ-CE2 3.85Å; F1486-F1493 VanDerWaalsContact CZ-CE2 3.47Å; F1486-F1493 AromaticContact CZ-CG 3.97Å; F1486-F1493 HydrophobicContact CZ-CG 4.12Å; F1486-F1493 AromaticContact CZ-CZ 3.67Å; F1486-F1493 HydrophobicContact CZ-CZ 4.06Å; F1486-L1568 HydrophobicContact CE1-CD2 4.49Å; F1486-L1568 HydrophobicContact CE2-CD1 4.45Å; F1486-L1568 HydrophobicContact CE2-CD2 4.06Å; F1486-L1568 HydrophobicContact CZ-CD1 4.04Å; F1486-L1568 HydrophobicContact CZ-CD2 3.9Å; F1486-P1569 HydrophobicContact CB-CG 4.44Å; F1486-P1569 HydrophobicContact CD1-CG 3.84Å; F1486-P1569 HydrophobicContact CD2-CG 3.51Å; F1486-P1569 HydrophobicContact CE1-CG 3.84Å; F1486-P1569 HydrophobicContact CE2-CG 3.5Å; F1486-P1569 VanDerWaalsContact CE2-CG 3.5Å; F1486-P1569 HydrophobicContact CG-CG 3.67Å; F1486-P1569 VanDerWaalsContact CZ-CD 3.49Å; F1486-P1569 HydrophobicContact CZ-CG 3.67Å; F1486-I1570 HydrophobicContact CD1-CG1 4.22Å; F1486-I1570 HydrophobicContact CE1-CG1 4.22Å; F1486-R1627 PolarHBondContact O-NE 3.19Å; F1486-R1627 PolarHBondContact O-NH2 3.1Å |
| 1487 | R | 49.8 | Very low | 58.7 | Low | 87.8 Ų | 87.8 | 56.7 Ų | 56.7 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -91.4 | -39.3 | -177.2 | -78.3 | -178.8 | 163.3 | 170.9 | -0.3 | 113.3 | H1084 D1483 E1484 L1485 N1489 L1623 | H1084-R1487 PolarHBondContact ND1-NH1 3.08Å; H1084-R1487 VanDerWaalsContact ND1-NH1 3.12Å; D1483-R1487 HydrophobicContact CB-CB 4.3Å; D1483-R1487 HydrophobicContact CB-CG 4.11Å; D1483-R1487 VanDerWaalsContact O-CA 3.28Å; D1483-R1487 WeakPolarHBondContact O-CA 3.4Å; D1483-R1487 WeakPolarHBondContact O-CB 3.34Å; D1483-R1487 WeakPolarHBondContact O-CG 3.5Å; D1483-R1487 PolarHBondContact O-N 3.07Å; D1483-R1487 VanDerWaalsContact O-N 3.12Å; D1483-R1487 VanDerWaalsContact OD1-CD 3.3Å; D1483-R1487 WeakPolarHBondContact OD1-CD 3.32Å; D1483-R1487 IonicContact OD1-CZ 2.63Å; D1483-R1487 IonicContact OD1-NE 3.14Å; D1483-R1487 PolarHBondContact OD1-NE 3.19Å; D1483-R1487 IonicContact OD1-NH1 2.69Å; D1483-R1487 PolarHBondContact OD1-NH1 3.41Å; D1483-R1487 IonicContact OD1-NH2 3.65Å; D1483-R1487 IonicContact OD2-CZ 3.39Å; D1483-R1487 IonicContact OD2-NE 3.6Å; D1483-R1487 PolarHBondContact OD2-NE 3.34Å; D1483-R1487 IonicContact OD2-NH1 2.74Å; D1483-R1487 PolarHBondContact OD2-NH1 3.11Å; D1483-R1487 IonicContact OD2-NH2 3.56Å; D1483-R1487 PolarHBondContact OD2-NH2 3.19Å; E1484-R1487 WeakPolarHBondContact O-CB 3.38Å; E1484-R1487 PolarHBondContact O-N 3.17Å; L1485-R1487 VanDerWaalsContact C-N 3.25Å; L1485-R1487 PolarHBondContact O-N 3.33Å; R1487-N1489 PolarHBondContact O-N 2.81Å; R1487-L1623 VanDerWaalsContact O-CD2 3.22Å; R1487-L1623 WeakPolarHBondContact O-CD2 3.23Å; R1487-L1623 WeakPolarHBondContact O-CG 3.45Å |
| 1488 | L | 53.5 | Low | 60.1 | Low | 40.4 Ų | 40.4 | 54.2 Ų | 54.2 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -90.6 | -40.6 | -175.6 | -62.2 | 176.5 | 0 | 0 | 0 | 111.9 | M1081 T1396 V1399 Y1473 D1483 E1484 P1490 | M1081-L1488 HydrophobicContact CE-CB 3.7Å; M1081-L1488 HydrophobicContact CE-CD1 4.34Å; M1081-L1488 HydrophobicContact CE-CD2 3.96Å; M1081-L1488 HydrophobicContact CE-CG 4.2Å; T1396-L1488 HydrophobicContact CG2-CD2 3.97Å; V1399-L1488 HydrophobicContact CG2-CD2 4.34Å; Y1473-L1488 HydrophobicContact CD1-CD1 4.35Å; Y1473-L1488 HydrophobicContact CE1-CD1 3.85Å; D1483-L1488 PolarHBondContact O-N 3.34Å; E1484-L1488 HydrophobicContact CB-CB 4.46Å; E1484-L1488 HydrophobicContact CB-CD1 4.09Å; E1484-L1488 HydrophobicContact CB-CG 4.34Å; E1484-L1488 HydrophobicContact CG-CD1 3.96Å; E1484-L1488 HydrophobicContact CG-CG 4.46Å; E1484-L1488 WeakPolarHBondContact O-CA 3.26Å; E1484-L1488 VanDerWaalsContact O-CB 3.28Å; E1484-L1488 WeakPolarHBondContact O-CB 3.18Å; E1484-L1488 PolarHBondContact O-N 3.35Å; E1484-L1488 WeakPolarHBondContact OE1-CD1 3.37Å; L1488-P1490 WeakPolarHBondContact O-CD 3.44Å; L1488-P1490 VanDerWaalsContact O-N 3.07Å |
| 1489 | N | 62.6 | Low | 61.7 | Low | 58.2 Ų | 58.2 | 44.4 Ų | 44.4 | 31% | 0.311 | 21% | 0.205 | S | C | . | . | trans | -121.6 | 82.8 | -179.5 | -168.5 | -10.8 | 0 | 0 | 0 | 112.2 | T1396 E1484 L1485 R1487 L1491 L1492 | T1396-N1489 HydrophobicContact CG2-CB 4.43Å; E1484-N1489 PolarHBondContact O-N 3.1Å; E1484-N1489 VanDerWaalsContact O-N 3.07Å; L1485-N1489 CarbonylContact O-C 3.52Å; L1485-N1489 VanDerWaalsContact O-C 3.25Å; L1485-N1489 PolarHBondContact O-N 3.35Å; L1485-N1489 VanDerWaalsContact O-O 3.09Å; R1487-N1489 PolarHBondContact O-N 2.81Å; N1489-L1491 PolarHBondContact O-N 3.15Å; N1489-L1491 VanDerWaalsContact O-N 3.15Å; N1489-L1491 VanDerWaalsContact OD1-CB 3.25Å; N1489-L1491 WeakPolarHBondContact OD1-CB 3.42Å; N1489-L1491 WeakPolarHBondContact OD1-CD1 3.43Å; N1489-L1491 WeakPolarHBondContact OD1-CG 3.38Å; N1489-L1491 PolarHBondContact OD1-N 3.17Å; N1489-L1492 HydrophobicContact CB-CB 4.24Å; N1489-L1492 HydrophobicContact CB-CD1 4.13Å; N1489-L1492 HydrophobicContact CB-CG 4.14Å; N1489-L1492 WeakPolarHBondContact O-CB 3.33Å; N1489-L1492 PolarHBondContact O-N 3.08Å; N1489-L1492 VanDerWaalsContact O-N 3.14Å; N1489-L1492 PolarHBondContact OD1-N 3.13Å; N1489-L1492 VanDerWaalsContact OD1-N 3.15Å | ||
| 1490 | P | 65.1 | Low | 63.4 | Low | 16.4 Ų | 16.4 | 41.3 Ų | 41.3 | 11% | 0.106 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -25.4 | 179.8 | 27.2 | -36.4 | 0 | 0 | 0 | 112.7 | L1485 L1488 L1492 F1493 V1494 N1626 R1627 A1630 | L1485-P1490 WeakPolarHBondContact O-CA 3.43Å; L1488-P1490 WeakPolarHBondContact O-CD 3.44Å; L1488-P1490 VanDerWaalsContact O-N 3.07Å; P1490-L1492 VanDerWaalsContact C-N 3.34Å; P1490-L1492 PolarHBondContact O-N 2.96Å; P1490-F1493 WeakPolarHBondContact O-CB 3.34Å; P1490-F1493 PolarHBondContact O-N 3.03Å; P1490-V1494 WeakPolarHBondContact O-CG2 3.39Å; P1490-V1494 PolarHBondContact O-N 3.1Å; P1490-V1494 VanDerWaalsContact O-N 3.13Å; P1490-N1626 HydrophobicContact CG-CB 4.3Å; P1490-R1627 HydrophobicContact CB-CG 4.34Å; P1490-R1627 HydrophobicContact CG-CG 3.86Å; P1490-A1630 HydrophobicContact CB-CB 3.79Å; P1490-A1630 HydrophobicContact CG-CB 4.09Å |
| 1491 | L | 71.6 | Confident | 65 | Low | 47.6 Ų | 47.6 | 33 Ų | 33 | 25% | 0.249 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 176 | -85.3 | 143.5 | 0 | 0 | 0 | 111.9 | N1489 F1493 V1494 Q1495 T1629 A1630 L1633 | N1489-L1491 PolarHBondContact O-N 3.15Å; N1489-L1491 VanDerWaalsContact O-N 3.15Å; N1489-L1491 VanDerWaalsContact OD1-CB 3.25Å; N1489-L1491 WeakPolarHBondContact OD1-CB 3.42Å; N1489-L1491 WeakPolarHBondContact OD1-CD1 3.43Å; N1489-L1491 WeakPolarHBondContact OD1-CG 3.38Å; N1489-L1491 PolarHBondContact OD1-N 3.17Å; L1491-F1493 VanDerWaalsContact C-N 3.31Å; L1491-F1493 PolarHBondContact O-N 3.03Å; L1491-V1494 WeakPolarHBondContact O-CB 3.42Å; L1491-V1494 PolarHBondContact O-N 3.2Å; L1491-V1494 VanDerWaalsContact O-N 3.16Å; L1491-Q1495 WeakPolarHBondContact O-CG 3.26Å; L1491-Q1495 PolarHBondContact O-N 3.03Å; L1491-T1629 HydrophobicContact CD2-CG2 4.25Å; L1491-A1630 HydrophobicContact CD2-CB 4.16Å; L1491-A1630 HydrophobicContact CG-CB 4.27Å; L1491-L1633 HydrophobicContact CD1-CD1 3.31Å; L1491-L1633 HydrophobicContact CD2-CD1 3.6Å; L1491-L1633 VanDerWaalsContact CD2-CD1 3.45Å |
| 1492 | L | 72.9 | Confident | 66.8 | Low | 4.4 Ų | 4.4 | 31 Ų | 31 | 2% | 0.023 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 176.7 | -165.7 | 78 | 0 | 0 | 0 | 111.7 | T1396 V1399 E1400 L1485 N1489 P1490 V1494 Q1495 F1496 | T1396-L1492 HydrophobicContact CG2-CD1 4.25Å; T1396-L1492 HydrophobicContact CG2-CD2 4.22Å; T1396-L1492 VanDerWaalsContact O-CD2 3.27Å; T1396-L1492 WeakPolarHBondContact O-CD2 3.41Å; V1399-L1492 HydrophobicContact CB-CD2 4.11Å; V1399-L1492 HydrophobicContact CG1-CB 4.38Å; V1399-L1492 HydrophobicContact CG1-CD1 4.23Å; V1399-L1492 HydrophobicContact CG1-CD2 3.97Å; V1399-L1492 HydrophobicContact CG1-CG 3.93Å; E1400-L1492 HydrophobicContact CB-CD1 3.89Å; E1400-L1492 HydrophobicContact CB-CD2 4.26Å; E1400-L1492 HydrophobicContact CG-CD1 4.34Å; E1400-L1492 HydrophobicContact CG-CD2 4.26Å; L1485-L1492 HydrophobicContact CD2-CD2 3.86Å; L1485-L1492 HydrophobicContact CD2-CG 4.11Å; N1489-L1492 HydrophobicContact CB-CB 4.24Å; N1489-L1492 HydrophobicContact CB-CD1 4.13Å; N1489-L1492 HydrophobicContact CB-CG 4.14Å; N1489-L1492 WeakPolarHBondContact O-CB 3.33Å; N1489-L1492 PolarHBondContact O-N 3.08Å; N1489-L1492 VanDerWaalsContact O-N 3.14Å; N1489-L1492 PolarHBondContact OD1-N 3.13Å; N1489-L1492 VanDerWaalsContact OD1-N 3.15Å; P1490-L1492 VanDerWaalsContact C-N 3.34Å; P1490-L1492 PolarHBondContact O-N 2.96Å; L1492-V1494 VanDerWaalsContact C-N 3.33Å; L1492-V1494 PolarHBondContact O-N 3.25Å; L1492-Q1495 WeakPolarHBondContact O-CB 3.42Å; L1492-Q1495 PolarHBondContact O-N 3.15Å; L1492-F1496 WeakPolarHBondContact O-CB 3.33Å; L1492-F1496 PolarHBondContact O-N 3.38Å |
| 1493 | F | 73.6 | Confident | 68.4 | Low | 12.4 Ų | 12.4 | 27.6 Ų | 27.6 | 5% | 0.054 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 173.6 | 177.1 | -103.3 | 0 | 0 | 0 | 111.7 | Y1473 L1485 F1486 P1490 L1491 Q1495 F1496 C1497 F1565 L1568 I1570 | Y1473-F1493 AromaticContact CD1-CD2 3.93Å; Y1473-F1493 HydrophobicContact CD1-CD2 3.93Å; Y1473-F1493 HydrophobicContact CD1-CE2 4.43Å; Y1473-F1493 HydrophobicContact CD2-CE2 4.24Å; Y1473-F1493 HydrophobicContact CE1-CB 4.21Å; Y1473-F1493 AromaticContact CE1-CD2 3.61Å; Y1473-F1493 HydrophobicContact CE1-CD2 3.61Å; Y1473-F1493 HydrophobicContact CE1-CG 4.38Å; Y1473-F1493 HydrophobicContact CE2-CD2 4.32Å; Y1473-F1493 AromaticContact CE2-CE2 3.54Å; Y1473-F1493 HydrophobicContact CE2-CE2 3.66Å; Y1473-F1493 VanDerWaalsContact CE2-CE2 3.44Å; Y1473-F1493 HydrophobicContact CE2-CZ 4.32Å; Y1473-F1493 AromaticContact CZ-CD2 3.93Å; Y1473-F1493 WeakPolarHBondContact OH-CA 3.5Å; L1485-F1493 HydrophobicContact CD2-CB 3.62Å; L1485-F1493 HydrophobicContact CD2-CD2 4.06Å; L1485-F1493 HydrophobicContact CD2-CG 4.34Å; F1486-F1493 HydrophobicContact CD1-CD1 4.38Å; F1486-F1493 HydrophobicContact CD1-CD2 4.39Å; F1486-F1493 HydrophobicContact CD1-CG 4.39Å; F1486-F1493 AromaticContact CE1-CD1 3.66Å; F1486-F1493 HydrophobicContact CE1-CD1 3.86Å; F1486-F1493 AromaticContact CE1-CD2 3.88Å; F1486-F1493 HydrophobicContact CE1-CD2 4.07Å; F1486-F1493 AromaticContact CE1-CE1 3.63Å; F1486-F1493 HydrophobicContact CE1-CE1 3.9Å; F1486-F1493 AromaticContact CE1-CE2 3.76Å; F1486-F1493 HydrophobicContact CE1-CE2 3.95Å; F1486-F1493 AromaticContact CE1-CG 3.85Å; F1486-F1493 HydrophobicContact CE1-CG 3.94Å; F1486-F1493 AromaticContact CE1-CZ 3.78Å; F1486-F1493 HydrophobicContact CE1-CZ 3.85Å; F1486-F1493 HydrophobicContact CE2-CD2 4.29Å; F1486-F1493 HydrophobicContact CE2-CE2 4.23Å; F1486-F1493 HydrophobicContact CZ-CD1 4.24Å; F1486-F1493 AromaticContact CZ-CD2 3.78Å; F1486-F1493 HydrophobicContact CZ-CD2 3.96Å; F1486-F1493 AromaticContact CZ-CE1 3.79Å; F1486-F1493 HydrophobicContact CZ-CE1 4.03Å; F1486-F1493 AromaticContact CZ-CE2 3.54Å; F1486-F1493 HydrophobicContact CZ-CE2 3.85Å; F1486-F1493 VanDerWaalsContact CZ-CE2 3.47Å; F1486-F1493 AromaticContact CZ-CG 3.97Å; F1486-F1493 HydrophobicContact CZ-CG 4.12Å; F1486-F1493 AromaticContact CZ-CZ 3.67Å; F1486-F1493 HydrophobicContact CZ-CZ 4.06Å; P1490-F1493 WeakPolarHBondContact O-CB 3.34Å; P1490-F1493 PolarHBondContact O-N 3.03Å; L1491-F1493 VanDerWaalsContact C-N 3.31Å; L1491-F1493 PolarHBondContact O-N 3.03Å; F1493-Q1495 PolarHBondContact O-N 3.09Å; F1493-F1496 AromaticContact CD2-CD1 3.97Å; F1493-F1496 HydrophobicContact CD2-CD1 4.1Å; F1493-F1496 AromaticContact CE2-CD1 3.96Å; F1493-F1496 HydrophobicContact CE2-CD1 4.06Å; F1493-F1496 HydrophobicContact CE2-CE1 4.31Å; F1493-F1496 WeakPolarHBondContact O-CB 3.39Å; F1493-F1496 PolarHBondContact O-N 3.08Å; F1493-C1497 VanDerWaalsContact CE1-SG 3.58Å; F1493-C1497 WeakPolarHBondContact CZ-SG 3.4Å; F1493-C1497 PolarHBondContact O-N 3Å; F1493-C1497 PolarHBondContact O-SG 3.21Å; F1493-C1497 VanDerWaalsContact O-SG 3.38Å; F1493-F1565 HydrophobicContact CE2-CD1 4.5Å; F1493-F1565 HydrophobicContact CE2-CD2 4.25Å; F1493-F1565 HydrophobicContact CE2-CE1 4.34Å; F1493-F1565 HydrophobicContact CE2-CE2 4.05Å; F1493-F1565 HydrophobicContact CE2-CG 4.47Å; F1493-F1565 HydrophobicContact CE2-CZ 4.29Å; F1493-F1565 HydrophobicContact CZ-CD2 4.08Å; F1493-F1565 HydrophobicContact CZ-CE2 4.35Å; F1493-F1565 HydrophobicContact CZ-CG 4.24Å; F1493-F1565 HydrophobicContact CZ-CZ 4.43Å; F1493-L1568 HydrophobicContact CE1-CD2 3.91Å; F1493-L1568 HydrophobicContact CZ-CD2 4.25Å; F1493-I1570 HydrophobicContact CD1-CD1 4.43Å; F1493-I1570 HydrophobicContact CE1-CD1 3.87Å; F1493-I1570 HydrophobicContact CE1-CG1 4.45Å; F1493-I1570 HydrophobicContact CE1-CG2 4.19Å; F1493-I1570 HydrophobicContact CZ-CD1 3.98Å |
| 1494 | V | 73.1 | Confident | 69.5 | Low | 12.4 Ų | 12.4 | 26.1 Ų | 26.1 | 8% | 0.075 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 174.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | P1490 L1491 L1492 F1496 C1497 T1498 A1630 L1633 F1634 | P1490-V1494 WeakPolarHBondContact O-CG2 3.39Å; P1490-V1494 PolarHBondContact O-N 3.1Å; P1490-V1494 VanDerWaalsContact O-N 3.13Å; L1491-V1494 WeakPolarHBondContact O-CB 3.42Å; L1491-V1494 PolarHBondContact O-N 3.2Å; L1491-V1494 VanDerWaalsContact O-N 3.16Å; L1492-V1494 VanDerWaalsContact C-N 3.33Å; L1492-V1494 PolarHBondContact O-N 3.25Å; V1494-F1496 VanDerWaalsContact C-N 3.33Å; V1494-F1496 PolarHBondContact O-N 3.08Å; V1494-C1497 PolarHBondContact O-N 3.27Å; V1494-T1498 HydrophobicContact CG1-CG2 4.3Å; V1494-T1498 WeakPolarHBondContact O-CB 3.38Å; V1494-T1498 VanDerWaalsContact O-CG2 3.27Å; V1494-T1498 WeakPolarHBondContact O-CG2 3.41Å; V1494-T1498 PolarHBondContact O-N 3.04Å; V1494-T1498 PolarHBondContact O-OG1 3.16Å; V1494-A1630 HydrophobicContact CG2-CB 3.94Å; V1494-A1630 WeakPolarHBondContact CG2-O 3.31Å; V1494-L1633 HydrophobicContact CG1-CB 4.25Å; V1494-F1634 HydrophobicContact CB-CB 4.45Å; V1494-F1634 HydrophobicContact CB-CD2 4.43Å; V1494-F1634 HydrophobicContact CG1-CB 3.91Å; V1494-F1634 HydrophobicContact CG1-CD2 4.11Å; V1494-F1634 HydrophobicContact CG1-CG 4.46Å; V1494-F1634 HydrophobicContact CG2-CB 3.86Å; V1494-F1634 HydrophobicContact CG2-CD2 4.08Å; V1494-F1634 HydrophobicContact CG2-CG 4.34Å |
| 1495 | Q | 78.1 | Confident | 70.4 | Confident | 85.8 Ų | 85.8 | 26.7 Ų | 26.7 | 40% | 0.401 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61 | -42 | 173.6 | -71.7 | 176.7 | -8.2 | 0 | 0 | 111.7 | V1403 L1491 L1492 F1493 C1497 T1498 S1499 | V1403-Q1495 HydrophobicContact CG1-CB 4.13Å; L1491-Q1495 WeakPolarHBondContact O-CG 3.26Å; L1491-Q1495 PolarHBondContact O-N 3.03Å; L1492-Q1495 WeakPolarHBondContact O-CB 3.42Å; L1492-Q1495 PolarHBondContact O-N 3.15Å; F1493-Q1495 PolarHBondContact O-N 3.09Å; Q1495-C1497 PolarHBondContact O-N 2.88Å; Q1495-T1498 VanDerWaalsContact CA-OG1 3.29Å; Q1495-T1498 WeakPolarHBondContact CA-OG1 3.37Å; Q1495-T1498 PolarHBondContact O-N 3.31Å; Q1495-T1498 PolarHBondContact O-OG1 3.14Å; Q1495-T1498 VanDerWaalsContact O-OG1 3.08Å; Q1495-S1499 VanDerWaalsContact O-CB 3.23Å; Q1495-S1499 WeakPolarHBondContact O-CB 3.25Å; Q1495-S1499 PolarHBondContact O-N 3.05Å; Q1495-S1499 PolarHBondContact O-OG 2.96Å |
| 1496 | F | 80.2 | Confident | 71.2 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.5 | -52.8 | 174.1 | 163.4 | -120.6 | 0 | 0 | 0 | 112 | V1399 V1403 L1469 Y1473 L1492 F1493 V1494 T1498 S1499 L1500 I1561 F1565 | V1399-F1496 HydrophobicContact CG1-CB 4.46Å; V1403-F1496 HydrophobicContact CG2-CB 3.82Å; V1403-F1496 HydrophobicContact CG2-CD2 4.26Å; V1403-F1496 HydrophobicContact CG2-CG 4.42Å; L1469-F1496 HydrophobicContact CB-CD2 4.31Å; L1469-F1496 HydrophobicContact CB-CE2 3.57Å; L1469-F1496 VanDerWaalsContact CB-CE2 3.46Å; L1469-F1496 HydrophobicContact CB-CZ 4.12Å; L1469-F1496 HydrophobicContact CD1-CD2 3.84Å; L1469-F1496 HydrophobicContact CD1-CE2 3.73Å; L1469-F1496 HydrophobicContact CD2-CD2 4.03Å; L1469-F1496 HydrophobicContact CD2-CE2 4.1Å; L1469-F1496 HydrophobicContact CG-CD2 4.32Å; L1469-F1496 HydrophobicContact CG-CE2 4.03Å; Y1473-F1496 AromaticContact CD2-CD1 3.77Å; Y1473-F1496 HydrophobicContact CD2-CD1 3.77Å; Y1473-F1496 AromaticContact CD2-CE1 3.77Å; Y1473-F1496 HydrophobicContact CD2-CE1 4.14Å; Y1473-F1496 HydrophobicContact CD2-CG 4.45Å; Y1473-F1496 HydrophobicContact CD2-CZ 4.45Å; Y1473-F1496 HydrophobicContact CE2-CB 4.18Å; Y1473-F1496 AromaticContact CE2-CD1 3.55Å; Y1473-F1496 HydrophobicContact CE2-CD1 3.55Å; Y1473-F1496 HydrophobicContact CE2-CE1 4.04Å; Y1473-F1496 AromaticContact CE2-CG 3.89Å; Y1473-F1496 HydrophobicContact CE2-CG 3.89Å; L1492-F1496 WeakPolarHBondContact O-CB 3.33Å; L1492-F1496 PolarHBondContact O-N 3.38Å; F1493-F1496 AromaticContact CD2-CD1 3.97Å; F1493-F1496 HydrophobicContact CD2-CD1 4.1Å; F1493-F1496 AromaticContact CE2-CD1 3.96Å; F1493-F1496 HydrophobicContact CE2-CD1 4.06Å; F1493-F1496 HydrophobicContact CE2-CE1 4.31Å; F1493-F1496 WeakPolarHBondContact O-CB 3.39Å; F1493-F1496 PolarHBondContact O-N 3.08Å; V1494-F1496 VanDerWaalsContact C-N 3.33Å; V1494-F1496 PolarHBondContact O-N 3.08Å; F1496-T1498 VanDerWaalsContact C-N 3.34Å; F1496-T1498 PolarHBondContact O-N 3Å; F1496-S1499 WeakPolarHBondContact CA-OG 3.19Å; F1496-S1499 PolarHBondContact O-N 3.13Å; F1496-S1499 PolarHBondContact O-OG 2.84Å; F1496-L1500 HydrophobicContact CD1-CD1 4.28Å; F1496-L1500 HydrophobicContact CD2-CD1 4.2Å; F1496-L1500 HydrophobicContact CD2-CG 4.14Å; F1496-L1500 HydrophobicContact CE1-CD1 4.16Å; F1496-L1500 HydrophobicContact CE2-CD1 3.5Å; F1496-L1500 VanDerWaalsContact CE2-CD1 3.46Å; F1496-L1500 HydrophobicContact CE2-CD2 4.06Å; F1496-L1500 HydrophobicContact CE2-CG 3.74Å; F1496-L1500 HydrophobicContact CZ-CD1 3.51Å; F1496-L1500 VanDerWaalsContact CZ-CD1 3.44Å; F1496-L1500 HydrophobicContact CZ-CD2 4.18Å; F1496-L1500 HydrophobicContact CZ-CG 4.27Å; F1496-L1500 WeakPolarHBondContact O-CG 3.24Å; F1496-L1500 PolarHBondContact O-N 3.07Å; F1496-I1561 HydrophobicContact CE1-CG2 4.4Å; F1496-I1561 HydrophobicContact CZ-CG2 4.36Å; F1496-F1565 HydrophobicContact CD1-CZ 4.39Å; F1496-F1565 HydrophobicContact CE1-CE1 4.16Å; F1496-F1565 HydrophobicContact CE1-CE2 4.29Å; F1496-F1565 AromaticContact CE1-CZ 3.6Å; F1496-F1565 HydrophobicContact CE1-CZ 3.7Å; F1496-F1565 VanDerWaalsContact CE1-CZ 3.41Å; F1496-F1565 AromaticContact CZ-CZ 3.84Å; F1496-F1565 HydrophobicContact CZ-CZ 4.02Å |
| 1497 | C | 77.2 | Confident | 71.9 | Confident | 1.2 Ų | 1.2 | 25.8 Ų | 25.8 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 179.4 | -68.4 | 0 | 0 | 0 | 0 | 112.3 | F1493 V1494 Q1495 S1499 L1500 I1501 F1565 F1634 | F1493-C1497 VanDerWaalsContact CE1-SG 3.58Å; F1493-C1497 WeakPolarHBondContact CZ-SG 3.4Å; F1493-C1497 PolarHBondContact O-N 3Å; F1493-C1497 PolarHBondContact O-SG 3.21Å; F1493-C1497 VanDerWaalsContact O-SG 3.38Å; V1494-C1497 PolarHBondContact O-N 3.27Å; Q1495-C1497 PolarHBondContact O-N 2.88Å; C1497-S1499 VanDerWaalsContact C-N 3.33Å; C1497-S1499 PolarHBondContact O-N 2.8Å; C1497-L1500 WeakPolarHBondContact O-CB 3.4Å; C1497-L1500 PolarHBondContact O-N 3.31Å; C1497-I1501 VanDerWaalsContact O-CG1 3.29Å; C1497-I1501 WeakPolarHBondContact O-CG1 3.41Å; C1497-I1501 PolarHBondContact O-N 3.1Å; C1497-I1501 VanDerWaalsContact O-N 3.13Å; C1497-F1565 VanDerWaalsContact SG-CE2 3.53Å; C1497-F1634 HydrophobicContact CB-CD2 4.43Å; C1497-F1634 HydrophobicContact CB-CE2 3.74Å |
| 1498 | T | 78.8 | Confident | 72.5 | Confident | 17.6 Ų | 17.6 | 26.8 Ų | 26.8 | 11% | 0.108 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -38.1 | 178.5 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | V1494 Q1495 F1496 L1500 I1501 K1502 S1637 Y1641 | V1494-T1498 HydrophobicContact CG1-CG2 4.3Å; V1494-T1498 WeakPolarHBondContact O-CB 3.38Å; V1494-T1498 VanDerWaalsContact O-CG2 3.27Å; V1494-T1498 WeakPolarHBondContact O-CG2 3.41Å; V1494-T1498 PolarHBondContact O-N 3.04Å; V1494-T1498 PolarHBondContact O-OG1 3.16Å; Q1495-T1498 VanDerWaalsContact CA-OG1 3.29Å; Q1495-T1498 WeakPolarHBondContact CA-OG1 3.37Å; Q1495-T1498 PolarHBondContact O-N 3.31Å; Q1495-T1498 PolarHBondContact O-OG1 3.14Å; Q1495-T1498 VanDerWaalsContact O-OG1 3.08Å; F1496-T1498 VanDerWaalsContact C-N 3.34Å; F1496-T1498 PolarHBondContact O-N 3Å; T1498-L1500 VanDerWaalsContact C-N 3.34Å; T1498-L1500 PolarHBondContact O-N 2.92Å; T1498-I1501 PolarHBondContact O-N 3.06Å; T1498-K1502 VanDerWaalsContact O-CB 3.27Å; T1498-K1502 WeakPolarHBondContact O-CB 3.25Å; T1498-K1502 VanDerWaalsContact O-CG 3.28Å; T1498-K1502 WeakPolarHBondContact O-CG 3.38Å; T1498-K1502 PolarHBondContact O-N 3.05Å; T1498-S1637 VanDerWaalsContact CG2-CB 3.49Å; T1498-S1637 WeakPolarHBondContact CG2-OG 3.33Å; T1498-Y1641 HydrophobicContact CG2-CE2 4.42Å |
| 1499 | S | 80.6 | Confident | 73.1 | Confident | 0.8 Ų | 0.8 | 29.1 Ų | 29.1 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.5 | -36.3 | 175.7 | -49.9 | 0 | 0 | 0 | 0 | 112.3 | V1403 N1407 Q1495 F1496 C1497 K1502 Q1503 | V1403-S1499 WeakPolarHBondContact CG1-OG 3.42Å; N1407-S1499 PolarHBondContact ND2-OG 3.15Å; N1407-S1499 WeakPolarHBondContact OD1-CB 3.41Å; N1407-S1499 PolarHBondContact OD1-OG 2.94Å; N1407-S1499 VanDerWaalsContact OD1-OG 3.13Å; Q1495-S1499 VanDerWaalsContact O-CB 3.23Å; Q1495-S1499 WeakPolarHBondContact O-CB 3.25Å; Q1495-S1499 PolarHBondContact O-N 3.05Å; Q1495-S1499 PolarHBondContact O-OG 2.96Å; F1496-S1499 WeakPolarHBondContact CA-OG 3.19Å; F1496-S1499 PolarHBondContact O-N 3.13Å; F1496-S1499 PolarHBondContact O-OG 2.84Å; C1497-S1499 VanDerWaalsContact C-N 3.33Å; C1497-S1499 PolarHBondContact O-N 2.8Å; S1499-K1502 PolarHBondContact O-N 3.35Å; S1499-Q1503 VanDerWaalsContact O-CG 3.29Å; S1499-Q1503 WeakPolarHBondContact O-CG 3.24Å; S1499-Q1503 PolarHBondContact O-N 3.38Å; S1499-Q1503 PolarHBondContact O-NE2 3.23Å |
| 1500 | L | 81.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.4 | -48.2 | 170.7 | -70.6 | 179.6 | 0 | 0 | 0 | 111.6 | L1406 I1466 F1496 C1497 T1498 K1502 Q1503 L1504 I1558 I1561 | L1406-L1500 HydrophobicContact CD1-CD2 4.14Å; L1406-L1500 HydrophobicContact CD2-CD2 4.25Å; I1466-L1500 HydrophobicContact CB-CD2 4.4Å; I1466-L1500 HydrophobicContact CD1-CD2 4.32Å; I1466-L1500 HydrophobicContact CG1-CD2 3.91Å; I1466-L1500 HydrophobicContact CG2-CD2 3.74Å; F1496-L1500 HydrophobicContact CD1-CD1 4.28Å; F1496-L1500 HydrophobicContact CD2-CD1 4.2Å; F1496-L1500 HydrophobicContact CD2-CG 4.14Å; F1496-L1500 HydrophobicContact CE1-CD1 4.16Å; F1496-L1500 HydrophobicContact CE2-CD1 3.5Å; F1496-L1500 VanDerWaalsContact CE2-CD1 3.46Å; F1496-L1500 HydrophobicContact CE2-CD2 4.06Å; F1496-L1500 HydrophobicContact CE2-CG 3.74Å; F1496-L1500 HydrophobicContact CZ-CD1 3.51Å; F1496-L1500 VanDerWaalsContact CZ-CD1 3.44Å; F1496-L1500 HydrophobicContact CZ-CD2 4.18Å; F1496-L1500 HydrophobicContact CZ-CG 4.27Å; F1496-L1500 WeakPolarHBondContact O-CG 3.24Å; F1496-L1500 PolarHBondContact O-N 3.07Å; C1497-L1500 WeakPolarHBondContact O-CB 3.4Å; C1497-L1500 PolarHBondContact O-N 3.31Å; T1498-L1500 VanDerWaalsContact C-N 3.34Å; T1498-L1500 PolarHBondContact O-N 2.92Å; L1500-K1502 VanDerWaalsContact C-N 3.31Å; L1500-K1502 PolarHBondContact O-N 3.16Å; L1500-Q1503 VanDerWaalsContact O-CB 3.26Å; L1500-Q1503 WeakPolarHBondContact O-CB 3.25Å; L1500-Q1503 PolarHBondContact O-N 3.07Å; L1500-Q1503 VanDerWaalsContact O-N 3.12Å; L1500-L1504 PolarHBondContact O-N 2.99Å; L1500-I1558 HydrophobicContact CB-CG2 4.39Å; L1500-I1558 HydrophobicContact CD2-CG1 4.34Å; L1500-I1558 WeakPolarHBondContact O-CD1 3.31Å; L1500-I1561 HydrophobicContact CD1-CD1 4.5Å; L1500-I1561 HydrophobicContact CD1-CG2 3.91Å |
| 1501 | I | 77.1 | Confident | 73.3 | Confident | 1.8 Ų | 1.8 | 30 Ų | 30 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 179.4 | -64.1 | 163.4 | 0 | 0 | 0 | 110.7 | C1497 T1498 Q1503 L1504 I1505 L1562 I1638 Y1641 L1689 | C1497-I1501 VanDerWaalsContact O-CG1 3.29Å; C1497-I1501 WeakPolarHBondContact O-CG1 3.41Å; C1497-I1501 PolarHBondContact O-N 3.1Å; C1497-I1501 VanDerWaalsContact O-N 3.13Å; T1498-I1501 PolarHBondContact O-N 3.06Å; I1501-Q1503 VanDerWaalsContact C-N 3.3Å; I1501-Q1503 PolarHBondContact O-N 2.93Å; I1501-L1504 WeakPolarHBondContact O-CB 3.49Å; I1501-L1504 PolarHBondContact O-N 3.11Å; I1501-L1504 VanDerWaalsContact O-N 3.12Å; I1501-I1505 HydrophobicContact CG2-CD1 3.94Å; I1501-I1505 PolarHBondContact O-N 3.37Å; I1501-L1562 HydrophobicContact CG1-CD1 4.44Å; I1501-I1638 HydrophobicContact CD1-CD1 4.35Å; I1501-I1638 HydrophobicContact CD1-CG1 4.13Å; I1501-Y1641 HydrophobicContact CB-CD2 4.25Å; I1501-Y1641 HydrophobicContact CB-CE2 4.31Å; I1501-Y1641 HydrophobicContact CD1-CD2 4.44Å; I1501-Y1641 HydrophobicContact CG2-CD1 4.28Å; I1501-Y1641 HydrophobicContact CG2-CD2 3.6Å; I1501-Y1641 VanDerWaalsContact CG2-CD2 3.43Å; I1501-Y1641 HydrophobicContact CG2-CE2 4.04Å; I1501-Y1641 HydrophobicContact CG2-CG 3.86Å; I1501-L1689 HydrophobicContact CB-CD2 4.45Å; I1501-L1689 HydrophobicContact CD1-CD2 3.58Å; I1501-L1689 HydrophobicContact CG1-CD2 3.84Å; I1501-L1689 HydrophobicContact CG2-CD2 4.04Å |
| 1502 | K | 79 | Confident | 73 | Confident | 72.4 Ų | 72.4 | 30.6 Ų | 30.6 | 32% | 0.315 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -56.5 | -36.2 | 174.5 | -90.5 | 178.6 | -176.4 | 179.3 | 0 | 112.6 | T1498 S1499 L1500 L1504 I1505 N1506 Y1641 | T1498-K1502 VanDerWaalsContact O-CB 3.27Å; T1498-K1502 WeakPolarHBondContact O-CB 3.25Å; T1498-K1502 VanDerWaalsContact O-CG 3.28Å; T1498-K1502 WeakPolarHBondContact O-CG 3.38Å; T1498-K1502 PolarHBondContact O-N 3.05Å; S1499-K1502 PolarHBondContact O-N 3.35Å; L1500-K1502 VanDerWaalsContact C-N 3.31Å; L1500-K1502 PolarHBondContact O-N 3.16Å; K1502-L1504 VanDerWaalsContact C-N 3.26Å; K1502-L1504 PolarHBondContact O-N 3.02Å; K1502-L1504 VanDerWaalsContact O-N 3.16Å; K1502-I1505 PolarHBondContact O-N 3.21Å; K1502-I1505 VanDerWaalsContact O-N 3.08Å; K1502-N1506 VanDerWaalsContact O-CB 3.31Å; K1502-N1506 WeakPolarHBondContact O-CB 3.37Å; K1502-N1506 VanDerWaalsContact O-CG 3.26Å; K1502-N1506 PolarHBondContact O-N 3.25Å; K1502-N1506 PolarHBondContact O-OD1 3.18Å; K1502-Y1641 WeakPolarHBondContact CE-OH 3.37Å; K1502-Y1641 HydrophobicContact CG-CE1 4.15Å; K1502-Y1641 WeakPolarHBondContact CG-OH 3.36Å |
| 1503 | Q | 79.4 | Confident | 72.7 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -31 | 178.5 | -61.5 | -47.3 | -60.3 | 0 | 0 | 112.7 | L1406 R1462 S1499 L1500 I1501 Y1507 L1554 I1558 | L1406-Q1503 HydrophobicContact CD1-CG 3.9Å; L1406-Q1503 HydrophobicContact CD2-CG 4.23Å; L1406-Q1503 HydrophobicContact CG-CG 3.86Å; L1406-Q1503 PolarHBondContact O-NE2 3.16Å; R1462-Q1503 VanDerWaalsContact NH2-C 3.27Å; R1462-Q1503 VanDerWaalsContact NH2-CB 3.34Å; R1462-Q1503 PolarHBondContact NH2-O 3.39Å; S1499-Q1503 VanDerWaalsContact O-CG 3.29Å; S1499-Q1503 WeakPolarHBondContact O-CG 3.24Å; S1499-Q1503 PolarHBondContact O-N 3.38Å; S1499-Q1503 PolarHBondContact O-NE2 3.23Å; L1500-Q1503 VanDerWaalsContact O-CB 3.26Å; L1500-Q1503 WeakPolarHBondContact O-CB 3.25Å; L1500-Q1503 PolarHBondContact O-N 3.07Å; L1500-Q1503 VanDerWaalsContact O-N 3.12Å; I1501-Q1503 VanDerWaalsContact C-N 3.3Å; I1501-Q1503 PolarHBondContact O-N 2.93Å; Q1503-Y1507 PolarHBondContact O-N 3.4Å; Q1503-L1554 HydrophobicContact CB-CD1 4.46Å; Q1503-L1554 HydrophobicContact CB-CD2 4.32Å; Q1503-I1558 HydrophobicContact CB-CD1 4.13Å |
| 1504 | L | 72.4 | Confident | 72.2 | Confident | 7.8 Ų | 7.8 | 31.9 Ų | 31.9 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -76.2 | -36 | 178.7 | -68.7 | 170.3 | 0 | 0 | 0 | 112.5 | L1500 I1501 K1502 Y1507 L1554 E1555 I1558 L1685 | L1500-L1504 PolarHBondContact O-N 2.99Å; I1501-L1504 WeakPolarHBondContact O-CB 3.49Å; I1501-L1504 PolarHBondContact O-N 3.11Å; I1501-L1504 VanDerWaalsContact O-N 3.12Å; K1502-L1504 VanDerWaalsContact C-N 3.26Å; K1502-L1504 PolarHBondContact O-N 3.02Å; K1502-L1504 VanDerWaalsContact O-N 3.16Å; L1504-Y1507 WeakPolarHBondContact O-CB 3.35Å; L1504-Y1507 PolarHBondContact O-N 3.3Å; L1504-L1554 HydrophobicContact CD2-CB 4.47Å; L1504-L1554 HydrophobicContact CD2-CD2 3.54Å; L1504-L1554 VanDerWaalsContact CD2-CD2 3.46Å; L1504-L1554 HydrophobicContact CG-CD2 4Å; L1504-E1555 HydrophobicContact CD2-CB 3.8Å; L1504-E1555 HydrophobicContact CD2-CG 4.13Å; L1504-I1558 HydrophobicContact CD1-CB 4.26Å; L1504-I1558 HydrophobicContact CD1-CD1 4.1Å; L1504-I1558 HydrophobicContact CD1-CG2 3.86Å; L1504-I1558 HydrophobicContact CD2-CD1 3.98Å; L1504-I1558 HydrophobicContact CG-CD1 3.73Å; L1504-I1558 HydrophobicContact CG-CG2 4.42Å; L1504-L1685 HydrophobicContact CB-CD2 4.22Å; L1504-L1685 HydrophobicContact CD1-CD1 3.56Å; L1504-L1685 HydrophobicContact CD1-CD2 4.21Å; L1504-L1685 HydrophobicContact CD1-CG 4.37Å |
| 1505 | I | 67.8 | Low | 71.8 | Confident | 29.2 Ų | 29.2 | 33.6 Ų | 33.6 | 15% | 0.15 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -80.6 | -42.4 | -176.7 | -63.7 | 170.6 | 0 | 0 | 0 | 110.9 | I1501 K1502 Y1507 Q1508 Y1641 I1645 L1685 | I1501-I1505 HydrophobicContact CG2-CD1 3.94Å; I1501-I1505 PolarHBondContact O-N 3.37Å; K1502-I1505 PolarHBondContact O-N 3.21Å; K1502-I1505 VanDerWaalsContact O-N 3.08Å; I1505-Y1507 PolarHBondContact O-N 3.19Å; I1505-Y1507 VanDerWaalsContact O-N 3.12Å; I1505-Q1508 WeakPolarHBondContact O-CB 3.2Å; I1505-Q1508 PolarHBondContact O-N 3.07Å; I1505-Y1641 VanDerWaalsContact CD1-CB 3.42Å; I1505-Y1641 HydrophobicContact CD1-CD1 3.14Å; I1505-Y1641 HydrophobicContact CD1-CD2 4.31Å; I1505-Y1641 HydrophobicContact CD1-CE1 3.8Å; I1505-Y1641 HydrophobicContact CD1-CG 3.76Å; I1505-Y1641 HydrophobicContact CG1-CD1 4.44Å; I1505-I1645 HydrophobicContact CD1-CD1 4.35Å; I1505-I1645 HydrophobicContact CG1-CD1 4.47Å; I1505-L1685 HydrophobicContact CG1-CD2 4.43Å |
| 1506 | N | 68.2 | Low | 70.9 | Confident | 25.8 Ų | 25.8 | 36.5 Ų | 36.5 | 14% | 0.138 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -16 | 179.5 | -70.5 | 1.6 | 0 | 0 | 0 | 112.4 | T1410 K1502 Q1508 E1509 E1510 | T1410-N1506 HydrophobicContact CG2-CB 4.16Å; T1410-N1506 WeakPolarHBondContact CG2-ND2 3.49Å; T1410-N1506 PolarHBondContact OG1-ND2 3.43Å; T1410-N1506 VanDerWaalsContact OG1-ND2 3.16Å; K1502-N1506 VanDerWaalsContact O-CB 3.31Å; K1502-N1506 WeakPolarHBondContact O-CB 3.37Å; K1502-N1506 VanDerWaalsContact O-CG 3.26Å; K1502-N1506 PolarHBondContact O-N 3.25Å; K1502-N1506 PolarHBondContact O-OD1 3.18Å; N1506-Q1508 VanDerWaalsContact C-N 3.28Å; N1506-Q1508 PolarHBondContact O-N 3.13Å; N1506-E1509 WeakPolarHBondContact O-CB 3.42Å; N1506-E1509 PolarHBondContact O-N 3.1Å; N1506-E1509 VanDerWaalsContact O-N 3.13Å; N1506-E1510 WeakPolarHBondContact O-CB 3.37Å; N1506-E1510 VanDerWaalsContact O-CG 3.22Å; N1506-E1510 WeakPolarHBondContact O-CG 3.33Å; N1506-E1510 PolarHBondContact O-N 2.89Å |
| 1507 | Y | 67.1 | Low | 69.6 | Low | 12.6 Ų | 12.6 | 40.7 Ų | 40.7 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -31.7 | 176.8 | -150.5 | -89.1 | 0 | 0 | 0 | 113.4 | R1462 Q1503 L1504 I1505 E1509 E1510 K1511 L1547 Q1548 N1550 R1551 | R1462-Y1507 VanDerWaalsContact NH1-CD2 3.32Å; Q1503-Y1507 PolarHBondContact O-N 3.4Å; L1504-Y1507 WeakPolarHBondContact O-CB 3.35Å; L1504-Y1507 PolarHBondContact O-N 3.3Å; I1505-Y1507 PolarHBondContact O-N 3.19Å; I1505-Y1507 VanDerWaalsContact O-N 3.12Å; Y1507-E1509 VanDerWaalsContact C-N 3.35Å; Y1507-E1510 WeakPolarHBondContact O-CB 3.32Å; Y1507-E1510 PolarHBondContact O-N 3.18Å; Y1507-K1511 WeakPolarHBondContact O-CB 3.18Å; Y1507-K1511 PolarHBondContact O-N 3.15Å; Y1507-L1547 HydrophobicContact CE1-CB 3.96Å; Y1507-L1547 HydrophobicContact CE1-CD2 3.91Å; Y1507-L1547 HydrophobicContact CE1-CG 4.34Å; Y1507-L1547 WeakPolarHBondContact CE1-O 3.29Å; Y1507-L1547 HydrophobicContact CE2-CD2 4.3Å; Y1507-L1547 VanDerWaalsContact CZ-O 3.31Å; Y1507-L1547 VanDerWaalsContact OH-C 3.27Å; Y1507-L1547 VanDerWaalsContact OH-CA 3.24Å; Y1507-L1547 WeakPolarHBondContact OH-CA 3.35Å; Y1507-L1547 WeakPolarHBondContact OH-CB 3.44Å; Y1507-L1547 VanDerWaalsContact OH-CD2 3.28Å; Y1507-L1547 WeakPolarHBondContact OH-CD2 3.38Å; Y1507-L1547 PolarHBondContact OH-O 3.07Å; Y1507-Q1548 PolarHBondContact OH-N 2.65Å; Y1507-N1550 HydrophobicContact CE2-CB 4.47Å; Y1507-N1550 WeakPolarHBondContact OH-CB 3.34Å; Y1507-R1551 HydrophobicContact CD1-CB 3.97Å; Y1507-R1551 HydrophobicContact CD1-CG 4.11Å; Y1507-R1551 HydrophobicContact CD2-CB 4.35Å; Y1507-R1551 HydrophobicContact CD2-CG 4.2Å; Y1507-R1551 HydrophobicContact CE1-CB 3.81Å; Y1507-R1551 HydrophobicContact CE1-CG 4.28Å; Y1507-R1551 HydrophobicContact CE2-CB 4.14Å; Y1507-R1551 HydrophobicContact CE2-CG 4.3Å; Y1507-R1551 HydrophobicContact CG-CB 4.28Å; Y1507-R1551 HydrophobicContact CG-CG 4.22Å |
| 1508 | Q | 63 | Low | 68.4 | Low | 108.2 Ų | 108.2 | 42.6 Ų | 42.6 | 51% | 0.506 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.8 | -40.5 | 173.6 | -70.6 | -163.9 | -22.8 | 0 | 0 | 111.5 | I1505 N1506 E1510 K1511 S1512 | I1505-Q1508 WeakPolarHBondContact O-CB 3.2Å; I1505-Q1508 PolarHBondContact O-N 3.07Å; N1506-Q1508 VanDerWaalsContact C-N 3.28Å; N1506-Q1508 PolarHBondContact O-N 3.13Å; Q1508-E1510 VanDerWaalsContact C-N 3.33Å; Q1508-E1510 PolarHBondContact O-N 3.24Å; Q1508-K1511 WeakPolarHBondContact O-CB 3.35Å; Q1508-K1511 PolarHBondContact O-N 3.32Å; Q1508-S1512 PolarHBondContact O-N 3.03Å; Q1508-S1512 PolarHBondContact O-OG 3.05Å |
| 1509 | E | 65.3 | Low | 67 | Low | 90.4 Ų | 90.4 | 48.9 Ų | 48.9 | 42% | 0.422 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 173.4 | -79.2 | -175.1 | 174.7 | 0 | 0 | 110.7 | K1414 N1506 Y1507 K1511 S1512 I1513 | K1414-E1509 IonicContact NZ-OE1 2.65Å; K1414-E1509 PolarHBondContact NZ-OE1 3.41Å; N1506-E1509 WeakPolarHBondContact O-CB 3.42Å; N1506-E1509 PolarHBondContact O-N 3.1Å; N1506-E1509 VanDerWaalsContact O-N 3.13Å; Y1507-E1509 VanDerWaalsContact C-N 3.35Å; E1509-K1511 VanDerWaalsContact C-N 3.33Å; E1509-K1511 PolarHBondContact O-N 3.15Å; E1509-S1512 WeakPolarHBondContact O-CB 3.25Å; E1509-S1512 PolarHBondContact O-N 3.11Å; E1509-S1512 VanDerWaalsContact O-N 3.12Å; E1509-S1512 PolarHBondContact O-OG 3.13Å; E1509-I1513 HydrophobicContact CG-CD1 4.09Å; E1509-I1513 VanDerWaalsContact O-CD1 3.3Å; E1509-I1513 WeakPolarHBondContact O-CD1 3.46Å; E1509-I1513 WeakPolarHBondContact O-CG1 3.34Å; E1509-I1513 PolarHBondContact O-N 3.16Å; E1509-I1513 VanDerWaalsContact O-N 3.15Å |
| 1510 | E | 65.9 | Low | 65.3 | Low | 8.6 Ų | 8.6 | 54.6 Ų | 54.6 | 4% | 0.04 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 174.9 | -89.7 | 170.4 | -165.8 | 0 | 0 | 111.3 | I1413 R1462 N1506 Y1507 Q1508 S1512 I1513 W1514 | I1413-E1510 VanDerWaalsContact CD1-CD 3.47Å; I1413-E1510 HydrophobicContact CD1-CG 3.83Å; I1413-E1510 WeakPolarHBondContact CD1-OE1 3.21Å; I1413-E1510 HydrophobicContact CG2-CG 4.36Å; R1462-E1510 IonicContact CZ-OE1 3.25Å; R1462-E1510 VanDerWaalsContact CZ-OE1 3.31Å; R1462-E1510 IonicContact CZ-OE2 3.06Å; R1462-E1510 IonicContact NH1-OE1 2.93Å; R1462-E1510 PolarHBondContact NH1-OE1 3.09Å; R1462-E1510 IonicContact NH1-OE2 3.16Å; R1462-E1510 PolarHBondContact NH1-OE2 3.17Å; R1462-E1510 IonicContact NH2-OE1 3.49Å; R1462-E1510 PolarHBondContact NH2-OE1 3.36Å; R1462-E1510 IonicContact NH2-OE2 3.14Å; R1462-E1510 PolarHBondContact NH2-OE2 3.02Å; R1462-E1510 VanDerWaalsContact NH2-OE2 3.12Å; N1506-E1510 WeakPolarHBondContact O-CB 3.37Å; N1506-E1510 VanDerWaalsContact O-CG 3.22Å; N1506-E1510 WeakPolarHBondContact O-CG 3.33Å; N1506-E1510 PolarHBondContact O-N 2.89Å; Y1507-E1510 WeakPolarHBondContact O-CB 3.32Å; Y1507-E1510 PolarHBondContact O-N 3.18Å; Q1508-E1510 VanDerWaalsContact C-N 3.33Å; Q1508-E1510 PolarHBondContact O-N 3.24Å; E1510-S1512 VanDerWaalsContact C-N 3.26Å; E1510-S1512 PolarHBondContact O-N 3.15Å; E1510-S1512 VanDerWaalsContact O-N 3.11Å; E1510-I1513 PolarHBondContact O-N 3.14Å; E1510-W1514 PolarHBondContact O-N 3.15Å |
| 1511 | K | 66.4 | Low | 63.5 | Low | 84.6 Ų | 84.6 | 59.2 Ų | 59.2 | 37% | 0.368 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -51 | -48.9 | 174.2 | -171.4 | 178.7 | 177.1 | -178.8 | 0 | 110.1 | Y1507 Q1508 E1509 I1513 W1514 F1515 L1544 | Y1507-K1511 WeakPolarHBondContact O-CB 3.18Å; Y1507-K1511 PolarHBondContact O-N 3.15Å; Q1508-K1511 WeakPolarHBondContact O-CB 3.35Å; Q1508-K1511 PolarHBondContact O-N 3.32Å; E1509-K1511 VanDerWaalsContact C-N 3.33Å; E1509-K1511 PolarHBondContact O-N 3.15Å; K1511-I1513 VanDerWaalsContact C-N 3.33Å; K1511-I1513 PolarHBondContact O-N 3.02Å; K1511-W1514 PolarHBondContact O-N 3.41Å; K1511-F1515 HydrophobicContact CB-CD2 4.46Å; K1511-F1515 HydrophobicContact CD-CE2 4.16Å; K1511-F1515 HydrophobicContact CG-CD2 3.68Å; K1511-F1515 HydrophobicContact CG-CE2 3.64Å; K1511-F1515 WeakPolarHBondContact O-CB 3.1Å; K1511-F1515 WeakPolarHBondContact O-CD2 3.38Å; K1511-F1515 WeakPolarHBondContact O-CG 3.41Å; K1511-F1515 PolarHBondContact O-N 3.12Å; K1511-L1544 HydrophobicContact CD-CD2 4.43Å; K1511-L1544 VanDerWaalsContact CE-CD2 3.49Å |
| 1512 | S | 65.8 | Low | 61.5 | Low | 60.6 Ų | 60.6 | 65 Ų | 65 | 42% | 0.424 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 178.9 | 76.8 | 0 | 0 | 0 | 0 | 113.8 | Q1508 E1509 E1510 F1515 K1516 | Q1508-S1512 PolarHBondContact O-N 3.03Å; Q1508-S1512 PolarHBondContact O-OG 3.05Å; E1509-S1512 WeakPolarHBondContact O-CB 3.25Å; E1509-S1512 PolarHBondContact O-N 3.11Å; E1509-S1512 VanDerWaalsContact O-N 3.12Å; E1509-S1512 PolarHBondContact O-OG 3.13Å; E1510-S1512 VanDerWaalsContact C-N 3.26Å; E1510-S1512 PolarHBondContact O-N 3.15Å; E1510-S1512 VanDerWaalsContact O-N 3.11Å; S1512-F1515 PolarHBondContact O-N 3.17Å; S1512-K1516 VanDerWaalsContact O-CB 3.26Å; S1512-K1516 WeakPolarHBondContact O-CB 3.34Å; S1512-K1516 WeakPolarHBondContact O-CG 3.43Å; S1512-K1516 PolarHBondContact O-N 3.07Å; S1512-K1516 VanDerWaalsContact O-N 3.11Å |
| 1513 | I | 66.1 | Low | 59.6 | Low | 35.6 Ų | 35.6 | 68.6 Ų | 68.6 | 18% | 0.183 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.2 | -43.5 | 179.9 | -64.8 | 163.8 | 0 | 0 | 0 | 111 | T1410 I1413 K1414 M1417 E1509 E1510 K1511 F1515 | T1410-I1513 HydrophobicContact CG2-CD1 3.96Å; I1413-I1513 HydrophobicContact CG2-CG2 4.1Å; K1414-I1513 HydrophobicContact CD-CD1 4.42Å; K1414-I1513 VanDerWaalsContact CE-CD1 3.45Å; K1414-I1513 HydrophobicContact CG-CD1 4.23Å; M1417-I1513 HydrophobicContact CB-CG2 4.47Å; M1417-I1513 HydrophobicContact CE-CG2 4.26Å; M1417-I1513 HydrophobicContact CG-CG2 4.35Å; E1509-I1513 HydrophobicContact CG-CD1 4.09Å; E1509-I1513 VanDerWaalsContact O-CD1 3.3Å; E1509-I1513 WeakPolarHBondContact O-CD1 3.46Å; E1509-I1513 WeakPolarHBondContact O-CG1 3.34Å; E1509-I1513 PolarHBondContact O-N 3.16Å; E1509-I1513 VanDerWaalsContact O-N 3.15Å; E1510-I1513 PolarHBondContact O-N 3.14Å; K1511-I1513 VanDerWaalsContact C-N 3.33Å; K1511-I1513 PolarHBondContact O-N 3.02Å; I1513-F1515 VanDerWaalsContact C-N 3.32Å; I1513-F1515 PolarHBondContact O-N 3.45Å |
| 1514 | W | 64 | Low | 57.7 | Low | 7.8 Ų | 7.8 | 75.5 Ų | 75.5 | 3% | 0.03 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 176.9 | -70.9 | 107 | 0 | 0 | 0 | 111.8 | I1413 M1417 L1451 K1454 Q1455 I1458 E1510 K1511 H1517 F1518 | I1413-W1514 HydrophobicContact CG2-CZ2 4.23Å; M1417-W1514 HydrophobicContact CE-CB 4.47Å; M1417-W1514 HydrophobicContact CE-CD2 3.67Å; M1417-W1514 HydrophobicContact CE-CE3 3.47Å; M1417-W1514 HydrophobicContact CE-CG 4.06Å; M1417-W1514 HydrophobicContact CE-CH2 4.11Å; M1417-W1514 HydrophobicContact CE-CZ2 3.92Å; M1417-W1514 HydrophobicContact CE-CZ3 3.86Å; M1417-W1514 HydrophobicContact SD-CE3 3.87Å; M1417-W1514 HydrophobicContact SD-CH2 4.17Å; M1417-W1514 HydrophobicContact SD-CZ2 3.87Å; M1417-W1514 HydrophobicContact SD-CZ3 3.59Å; M1417-W1514 VanDerWaalsContact SD-CZ3 3.53Å; M1417-W1514 WeakPolarHBondContact SD-CZ3 3.4Å; L1451-W1514 HydrophobicContact CB-CH2 4.38Å; L1451-W1514 HydrophobicContact CB-CZ3 4.11Å; L1451-W1514 HydrophobicContact CD1-CE3 3.8Å; L1451-W1514 HydrophobicContact CD1-CH2 4.02Å; L1451-W1514 HydrophobicContact CD1-CZ3 3.58Å; L1451-W1514 VanDerWaalsContact CD1-CZ3 3.47Å; L1451-W1514 HydrophobicContact CD2-CE3 4.03Å; L1451-W1514 HydrophobicContact CD2-CH2 3.93Å; L1451-W1514 HydrophobicContact CD2-CZ3 3.93Å; L1451-W1514 HydrophobicContact CG-CE3 3.83Å; L1451-W1514 HydrophobicContact CG-CH2 3.42Å; L1451-W1514 VanDerWaalsContact CG-CH2 3.42Å; L1451-W1514 HydrophobicContact CG-CZ3 3.5Å; L1451-W1514 VanDerWaalsContact CG-CZ3 3.41Å; L1451-W1514 WeakPolarHBondContact O-CH2 3.36Å; K1454-W1514 HydrophobicContact CB-CH2 4.17Å; K1454-W1514 HydrophobicContact CB-CZ3 4.2Å; Q1455-W1514 HydrophobicContact CB-CH2 3.81Å; Q1455-W1514 HydrophobicContact CB-CZ2 3.93Å; Q1455-W1514 HydrophobicContact CB-CZ3 4.29Å; Q1455-W1514 HydrophobicContact CG-CH2 4.16Å; Q1455-W1514 HydrophobicContact CG-CZ2 4Å; Q1455-W1514 HydrophobicContact CG-CZ3 4.45Å; I1458-W1514 HydrophobicContact CD1-CH2 4.23Å; I1458-W1514 HydrophobicContact CD1-CZ2 4.05Å; E1510-W1514 PolarHBondContact O-N 3.15Å; K1511-W1514 PolarHBondContact O-N 3.41Å; W1514-H1517 PolarHBondContact O-N 3.47Å; W1514-F1518 VanDerWaalsContact O-CD2 3.25Å; W1514-F1518 WeakPolarHBondContact O-CD2 3.26Å |
| 1515 | F | 63.2 | Low | 56.2 | Low | 48.6 Ų | 48.6 | 82.6 Ų | 82.6 | 21% | 0.213 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -77.8 | -34.5 | -177.5 | -79 | -75.4 | 0 | 0 | 0 | 114.7 | K1511 S1512 I1513 H1517 F1518 E1519 Q1543 L1544 L1547 | K1511-F1515 HydrophobicContact CB-CD2 4.46Å; K1511-F1515 HydrophobicContact CD-CE2 4.16Å; K1511-F1515 HydrophobicContact CG-CD2 3.68Å; K1511-F1515 HydrophobicContact CG-CE2 3.64Å; K1511-F1515 WeakPolarHBondContact O-CB 3.1Å; K1511-F1515 WeakPolarHBondContact O-CD2 3.38Å; K1511-F1515 WeakPolarHBondContact O-CG 3.41Å; K1511-F1515 PolarHBondContact O-N 3.12Å; S1512-F1515 PolarHBondContact O-N 3.17Å; I1513-F1515 VanDerWaalsContact C-N 3.32Å; I1513-F1515 PolarHBondContact O-N 3.45Å; F1515-H1517 PolarHBondContact O-N 3.28Å; F1515-H1517 VanDerWaalsContact O-N 3.1Å; F1515-F1518 HydrophobicContact CD1-CD2 4.12Å; F1515-F1518 HydrophobicContact CE1-CD2 4.41Å; F1515-F1518 WeakPolarHBondContact O-CB 3.2Å; F1515-F1518 PolarHBondContact O-N 2.96Å; F1515-E1519 PolarHBondContact O-N 3.05Å; F1515-Q1543 HydrophobicContact CZ-CB 4.43Å; F1515-L1544 HydrophobicContact CD2-CD2 4.25Å; F1515-L1544 HydrophobicContact CE1-CD1 4.32Å; F1515-L1544 HydrophobicContact CE1-CD2 4.21Å; F1515-L1544 HydrophobicContact CE1-CG 4.16Å; F1515-L1544 HydrophobicContact CE2-CD2 3.56Å; F1515-L1544 VanDerWaalsContact CE2-CD2 3.43Å; F1515-L1544 HydrophobicContact CE2-CG 4.11Å; F1515-L1544 HydrophobicContact CZ-CB 4.4Å; F1515-L1544 HydrophobicContact CZ-CD1 4.27Å; F1515-L1544 HydrophobicContact CZ-CD2 3.29Å; F1515-L1544 HydrophobicContact CZ-CG 3.62Å; F1515-L1544 VanDerWaalsContact CZ-CG 3.45Å; F1515-L1547 HydrophobicContact CE2-CD1 3.78Å; F1515-L1547 VanDerWaalsContact CE2-CD1 3.45Å; F1515-L1547 HydrophobicContact CZ-CD1 4.11Å |
| 1516 | K | 60.3 | Low | 54.7 | Low | 146.4 Ų | 146.4 | 84.7 Ų | 84.7 | 64% | 0.637 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -55.7 | -28.3 | 178.1 | -95.9 | -178.6 | 179.3 | -175.5 | 0 | 113.2 | S1512 F1518 I1520 | S1512-K1516 VanDerWaalsContact O-CB 3.26Å; S1512-K1516 WeakPolarHBondContact O-CB 3.34Å; S1512-K1516 WeakPolarHBondContact O-CG 3.43Å; S1512-K1516 PolarHBondContact O-N 3.07Å; S1512-K1516 VanDerWaalsContact O-N 3.11Å; K1516-F1518 VanDerWaalsContact C-N 3.34Å; K1516-I1520 VanDerWaalsContact O-CD1 3.26Å; K1516-I1520 WeakPolarHBondContact O-CD1 3.36Å; K1516-I1520 VanDerWaalsContact O-CG1 3.26Å; K1516-I1520 WeakPolarHBondContact O-CG1 3.4Å; K1516-I1520 PolarHBondContact O-N 2.94Å |
| 1517 | H | 52.4 | Low | 53.3 | Low | 92.2 Ų | 92.2 | 90.9 Ų | 90.9 | 43% | 0.427 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -80.7 | -21.3 | 178.3 | -117.1 | -63.1 | 0 | 0 | 0 | 114.3 | M1417 H1421 W1514 F1515 E1519 I1520 T1521 | M1417-H1517 HydrophobicContact CE-CB 4.03Å; H1421-H1517 AromaticContact CD2-NE2 3.91Å; W1514-H1517 PolarHBondContact O-N 3.47Å; F1515-H1517 PolarHBondContact O-N 3.28Å; F1515-H1517 VanDerWaalsContact O-N 3.1Å; H1517-E1519 VanDerWaalsContact C-N 3.28Å; H1517-E1519 PolarHBondContact O-N 3.36Å; H1517-I1520 PolarHBondContact O-N 2.91Å; H1517-I1520 VanDerWaalsContact O-N 3.16Å; H1517-T1521 PolarHBondContact O-N 3.16Å; H1517-T1521 PolarHBondContact O-OG1 3.28Å |
| 1518 | F | 52.4 | Low | 51.6 | Low | 40 Ų | 40 | 95.6 Ų | 95.6 | 18% | 0.175 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -77.1 | -26.1 | 175.3 | -82.4 | -77.1 | 0 | 0 | 0 | 112.9 | I1448 L1451 W1514 F1515 K1516 I1520 T1521 Q1540 Q1543 | I1448-F1518 HydrophobicContact CD1-CE1 4.39Å; L1451-F1518 HydrophobicContact CD2-CD2 4.32Å; L1451-F1518 HydrophobicContact CD2-CE1 3.92Å; L1451-F1518 HydrophobicContact CD2-CE2 3.75Å; L1451-F1518 VanDerWaalsContact CD2-CE2 3.43Å; L1451-F1518 HydrophobicContact CD2-CZ 3.88Å; L1451-F1518 HydrophobicContact CG-CZ 4.33Å; W1514-F1518 VanDerWaalsContact O-CD2 3.25Å; W1514-F1518 WeakPolarHBondContact O-CD2 3.26Å; F1515-F1518 HydrophobicContact CD1-CD2 4.12Å; F1515-F1518 HydrophobicContact CE1-CD2 4.41Å; F1515-F1518 WeakPolarHBondContact O-CB 3.2Å; F1515-F1518 PolarHBondContact O-N 2.96Å; K1516-F1518 VanDerWaalsContact C-N 3.34Å; F1518-I1520 VanDerWaalsContact C-N 3.28Å; F1518-T1521 PolarHBondContact O-OG1 3.16Å; F1518-Q1540 HydrophobicContact CD1-CG 4.37Å; F1518-Q1540 HydrophobicContact CE1-CG 4.32Å; F1518-Q1543 VanDerWaalsContact CE1-OE1 3.27Å; F1518-Q1543 VanDerWaalsContact CE2-OE1 3.26Å; F1518-Q1543 VanDerWaalsContact CZ-CD 3.43Å; F1518-Q1543 VanDerWaalsContact CZ-NE2 3.35Å; F1518-Q1543 VanDerWaalsContact CZ-OE1 3.27Å |
| 1519 | E | 48 | Very low | 50.4 | Low | 151.2 Ų | 151.2 | 98.1 Ų | 98.1 | 71% | 0.707 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -76 | -28.9 | 177.6 | -71.7 | 179.5 | 166.2 | 0 | 0 | 112.6 | F1515 H1517 T1521 N1522 | F1515-E1519 PolarHBondContact O-N 3.05Å; H1517-E1519 VanDerWaalsContact C-N 3.28Å; H1517-E1519 PolarHBondContact O-N 3.36Å; E1519-T1521 VanDerWaalsContact C-N 3.32Å; E1519-T1521 PolarHBondContact O-N 3.22Å; E1519-T1521 VanDerWaalsContact O-N 3.13Å; E1519-N1522 PolarHBondContact O-N 3.28Å |
| 1520 | I | 46.3 | Very low | 49 | Very low | 119.6 Ų | 119.6 | 100.8 Ų | 100.8 | 61% | 0.613 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -75.2 | -8.5 | -176.3 | -60.3 | 168.6 | 0 | 0 | 0 | 112.1 | K1516 H1517 F1518 N1522 | K1516-I1520 VanDerWaalsContact O-CD1 3.26Å; K1516-I1520 WeakPolarHBondContact O-CD1 3.36Å; K1516-I1520 VanDerWaalsContact O-CG1 3.26Å; K1516-I1520 WeakPolarHBondContact O-CG1 3.4Å; K1516-I1520 PolarHBondContact O-N 2.94Å; H1517-I1520 PolarHBondContact O-N 2.91Å; H1517-I1520 VanDerWaalsContact O-N 3.16Å; F1518-I1520 VanDerWaalsContact C-N 3.28Å; I1520-N1522 VanDerWaalsContact C-N 3.33Å; I1520-N1522 PolarHBondContact O-N 3.16Å |
| 1521 | T | 42.9 | Very low | 47.4 | Very low | 97.4 Ų | 97.4 | 109.5 Ų | 109.5 | 60% | 0.598 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 13.2 | 176.5 | 45.1 | 0 | 0 | 0 | 0 | 114 | L1443 H1517 F1518 E1519 D1523 | L1443-T1521 HydrophobicContact CD1-CG2 3.47Å; L1443-T1521 VanDerWaalsContact CD1-CG2 3.47Å; H1517-T1521 PolarHBondContact O-N 3.16Å; H1517-T1521 PolarHBondContact O-OG1 3.28Å; F1518-T1521 PolarHBondContact O-OG1 3.16Å; E1519-T1521 VanDerWaalsContact C-N 3.32Å; E1519-T1521 PolarHBondContact O-N 3.22Å; E1519-T1521 VanDerWaalsContact O-N 3.13Å; T1521-D1523 PolarHBondContact O-N 3.42Å |
| 1522 | N | 36.5 | Very low | 45.9 | Very low | 124 Ų | 124 | 109.6 Ų | 109.6 | 66% | 0.663 | 59% | 0.593 | S | S | * | * | trans | -101 | 21.3 | 175.1 | -91.1 | -3.7 | 0 | 0 | 0 | 113.1 | E1519 I1520 N1524 | E1519-N1522 PolarHBondContact O-N 3.28Å; I1520-N1522 VanDerWaalsContact C-N 3.33Å; I1520-N1522 PolarHBondContact O-N 3.16Å; N1522-N1524 VanDerWaalsContact C-N 3.34Å; N1522-N1524 PolarHBondContact O-N 3.12Å; N1522-N1524 VanDerWaalsContact O-N 3.15Å | ||
| 1523 | D | 38.6 | Very low | 44.5 | Very low | 146.6 Ų | 146.6 | 115.5 Ų | 115.5 | 78% | 0.784 | 61% | 0.607 | S | S | * | * | trans | -90.6 | 82.4 | 173.1 | -80.9 | -22.9 | 0 | 0 | 0 | 110.5 | T1521 N1525 | T1521-D1523 PolarHBondContact O-N 3.42Å; D1523-N1525 PolarHBondContact O-N 3.01Å | ||
| 1524 | N | 39.5 | Very low | 43.2 | Very low | 148.2 Ų | 148.2 | 120.8 Ų | 120.8 | 79% | 0.793 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -111.9 | 109.7 | 155.7 | -76.6 | -33 | 0 | 0 | 0 | 113.3 | N1522 | N1522-N1524 VanDerWaalsContact C-N 3.34Å; N1522-N1524 PolarHBondContact O-N 3.12Å; N1522-N1524 VanDerWaalsContact O-N 3.15Å |
| 1525 | N | 40.3 | Very low | 42 | Very low | 157.8 Ų | 157.8 | 127.3 Ų | 127.3 | 84% | 0.844 | 66% | 0.661 | S | S | * | * | trans | 145.5 | 104.3 | 147.1 | -76.8 | -17.8 | 0 | 0 | 0 | 112.1 | D1523 D1527 | D1523-N1525 PolarHBondContact O-N 3.01Å; N1525-D1527 VanDerWaalsContact C-N 3.3Å; N1525-D1527 PolarHBondContact O-N 3.38Å; N1525-D1527 VanDerWaalsContact O-N 3.11Å | ||
| 1526 | G | 36.8 | Very low | 41.1 | Very low | 71.8 Ų | 71.8 | 129.6 Ų | 129.6 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | trans | -63.4 | 131.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1527 | D | 37.7 | Very low | 40.4 | Very low | 156.8 Ų | 156.8 | 128 Ų | 128 | 84% | 0.839 | 67% | 0.667 | S | S | * | * | trans | 160.5 | 128.2 | 157 | -81.2 | -27.1 | 0 | 0 | 0 | 113.5 | N1525 | N1525-D1527 VanDerWaalsContact C-N 3.3Å; N1525-D1527 PolarHBondContact O-N 3.38Å; N1525-D1527 VanDerWaalsContact O-N 3.11Å | ||
| 1528 | S | 33.1 | Very low | 40.3 | Very low | 112.2 Ų | 112.2 | 128.8 Ų | 128.8 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | trans | 73 | 96.5 | 167.2 | 71 | 0 | 0 | 0 | 0 | 119.1 | N1530 | S1528-N1530 PolarHBondContact O-N 3Å; S1528-N1530 VanDerWaalsContact O-N 3.15Å | ||
| 1529 | I | 36.3 | Very low | 40.3 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 82% | 0.821 | 69% | 0.685 | S | S | * | * | trans | -4.9 | 102.4 | 137.3 | -59.2 | 159.2 | 0 | 0 | 0 | 113.7 | ||||
| 1530 | N | 35.9 | Very low | 40.7 | Very low | 145.8 Ų | 145.8 | 127.4 Ų | 127.4 | 78% | 0.78 | 67% | 0.665 | S | S | * | * | trans | 164.4 | 108.3 | 138.9 | -87.5 | -26.6 | 0 | 0 | 0 | 112.9 | S1528 P1532 | S1528-N1530 PolarHBondContact O-N 3Å; S1528-N1530 VanDerWaalsContact O-N 3.15Å; N1530-P1532 VanDerWaalsContact O-CD 3.24Å; N1530-P1532 WeakPolarHBondContact O-CD 3.37Å | ||
| 1531 | K | 32.5 | Very low | 41.3 | Very low | 192.2 Ų | 192.2 | 126.2 Ų | 126.2 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | trans | 6.9 | 110.9 | 168.4 | -62.4 | 175.2 | 177.5 | 178.2 | 0 | 116.3 | ||||
| 1532 | P | 35.4 | Very low | 42.2 | Very low | 87.6 Ų | 87.6 | 127.6 Ų | 127.6 | 57% | 0.569 | 66% | 0.656 | S | S | * | * | trans | -129.7 | 35.3 | 132.7 | 36.2 | -20.3 | 0 | 0 | 0 | 113 | N1530 H1534 H1535 | N1530-P1532 VanDerWaalsContact O-CD 3.24Å; N1530-P1532 WeakPolarHBondContact O-CD 3.37Å; P1532-H1534 VanDerWaalsContact C-N 3.31Å; P1532-H1534 PolarHBondContact O-N 3.24Å; P1532-H1535 PolarHBondContact O-N 3.13Å | ||
| 1533 | Y | 36.4 | Very low | 43.4 | Very low | 184.4 Ų | 184.4 | 122.8 Ų | 122.8 | 72% | 0.723 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.1 | -23.7 | 176.9 | -92.7 | -85.4 | 0 | 0 | 0 | 114 | H1537 | Y1533-H1537 PolarHBondContact O-N 3.3Å |
| 1534 | H | 39.2 | Very low | 44.7 | Very low | 147.2 Ų | 147.2 | 118.5 Ų | 118.5 | 68% | 0.681 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -76 | -30.1 | -178.5 | -76.5 | -62.2 | 0 | 0 | 0 | 114.2 | P1532 H1538 | P1532-H1534 VanDerWaalsContact C-N 3.31Å; P1532-H1534 PolarHBondContact O-N 3.24Å; H1534-H1538 WeakPolarHBondContact O-CB 3.26Å; H1534-H1538 PolarHBondContact O-CD2 3.15Å; H1534-H1538 PolarHBondContact O-N 3.2Å |
| 1535 | H | 39.3 | Very low | 46 | Very low | 143 Ų | 143 | 117.8 Ų | 117.8 | 66% | 0.662 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.2 | -38.6 | -178.1 | -86.2 | -48.1 | 0 | 0 | 0 | 113.2 | P1532 H1537 H1538 Q1539 | P1532-H1535 PolarHBondContact O-N 3.13Å; H1535-H1537 VanDerWaalsContact C-N 3.34Å; H1535-H1537 PolarHBondContact O-N 3.27Å; H1535-H1538 PolarHBondContact O-N 3.17Å; H1535-Q1539 WeakPolarHBondContact O-CB 3.43Å; H1535-Q1539 WeakPolarHBondContact O-CG 3.4Å; H1535-Q1539 PolarHBondContact O-N 3.39Å; H1535-Q1539 VanDerWaalsContact O-N 3.13Å |
| 1536 | H | 42.8 | Very low | 47.3 | Very low | 97.8 Ų | 97.8 | 112.5 Ų | 112.5 | 45% | 0.453 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.9 | -39.8 | 177.3 | -86.6 | -57.8 | 0 | 0 | 0 | 112.9 | H1538 Q1539 Q1540 | H1536-H1538 VanDerWaalsContact C-N 3.33Å; H1536-H1538 PolarHBondContact O-N 3.26Å; H1536-Q1539 PolarHBondContact O-N 3.36Å; H1536-Q1540 WeakPolarHBondContact O-CB 3.25Å; H1536-Q1540 WeakPolarHBondContact O-CG 3.38Å; H1536-Q1540 PolarHBondContact O-N 3.09Å |
| 1537 | H | 47 | Very low | 48.9 | Very low | 112.6 Ų | 112.6 | 109.5 Ų | 109.5 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 177.1 | -112.3 | -52.2 | 0 | 0 | 0 | 112.3 | Y1533 H1535 Q1541 | Y1533-H1537 PolarHBondContact O-N 3.3Å; H1535-H1537 VanDerWaalsContact C-N 3.34Å; H1535-H1537 PolarHBondContact O-N 3.27Å; H1537-Q1541 VanDerWaalsContact O-CB 3.29Å; H1537-Q1541 WeakPolarHBondContact O-CB 3.41Å; H1537-Q1541 VanDerWaalsContact O-CG 3.27Å; H1537-Q1541 WeakPolarHBondContact O-CG 3.34Å; H1537-Q1541 PolarHBondContact O-N 3.17Å; H1537-Q1541 VanDerWaalsContact O-N 3.12Å |
| 1538 | H | 50.4 | Low | 50.3 | Low | 108.8 Ų | 108.8 | 107 Ų | 107 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 175.8 | -91.9 | -61.3 | 0 | 0 | 0 | 112.5 | H1534 H1535 H1536 Q1541 H1542 | H1534-H1538 WeakPolarHBondContact O-CB 3.26Å; H1534-H1538 PolarHBondContact O-CD2 3.15Å; H1534-H1538 PolarHBondContact O-N 3.2Å; H1535-H1538 PolarHBondContact O-N 3.17Å; H1536-H1538 VanDerWaalsContact C-N 3.33Å; H1536-H1538 PolarHBondContact O-N 3.26Å; H1538-Q1541 WeakPolarHBondContact O-CB 3.43Å; H1538-Q1541 PolarHBondContact O-N 3.1Å; H1538-H1542 VanDerWaalsContact O-CB 3.26Å; H1538-H1542 WeakPolarHBondContact O-CB 3.37Å; H1538-H1542 PolarHBondContact O-CD2 3.08Å; H1538-H1542 PolarHBondContact O-N 3.21Å |
| 1539 | Q | 52.1 | Low | 52.2 | Low | 101.8 Ų | 101.8 | 104.5 Ų | 104.5 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 177.9 | -76.6 | -179.7 | -12.9 | 0 | 0 | 112.5 | H1535 H1536 Q1541 H1542 Q1543 | H1535-Q1539 WeakPolarHBondContact O-CB 3.43Å; H1535-Q1539 WeakPolarHBondContact O-CG 3.4Å; H1535-Q1539 PolarHBondContact O-N 3.39Å; H1535-Q1539 VanDerWaalsContact O-N 3.13Å; H1536-Q1539 PolarHBondContact O-N 3.36Å; Q1539-Q1541 VanDerWaalsContact C-N 3.31Å; Q1539-Q1541 PolarHBondContact O-N 3.07Å; Q1539-H1542 PolarHBondContact O-N 3.15Å; Q1539-H1542 VanDerWaalsContact O-N 3.11Å; Q1539-Q1543 WeakPolarHBondContact O-CB 3.47Å; Q1539-Q1543 PolarHBondContact O-N 3.28Å |
| 1540 | Q | 56.5 | Low | 53.8 | Low | 60.2 Ų | 60.2 | 97.7 Ų | 97.7 | 28% | 0.281 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 173.7 | -74.2 | 178.3 | -5.1 | 0 | 0 | 111.5 | F1518 H1536 H1542 Q1543 L1544 | F1518-Q1540 HydrophobicContact CD1-CG 4.37Å; F1518-Q1540 HydrophobicContact CE1-CG 4.32Å; H1536-Q1540 WeakPolarHBondContact O-CB 3.25Å; H1536-Q1540 WeakPolarHBondContact O-CG 3.38Å; H1536-Q1540 PolarHBondContact O-N 3.09Å; Q1540-H1542 VanDerWaalsContact C-N 3.32Å; Q1540-H1542 PolarHBondContact O-N 3.24Å; Q1540-Q1543 PolarHBondContact O-N 3.01Å; Q1540-L1544 VanDerWaalsContact O-CB 3.29Å; Q1540-L1544 WeakPolarHBondContact O-CB 3.4Å; Q1540-L1544 WeakPolarHBondContact O-CD1 3.19Å; Q1540-L1544 VanDerWaalsContact O-CG 3.28Å; Q1540-L1544 WeakPolarHBondContact O-CG 3.34Å; Q1540-L1544 PolarHBondContact O-N 3.11Å |
| 1541 | Q | 58.7 | Low | 55.7 | Low | 94.4 Ų | 94.4 | 92.8 Ų | 92.8 | 44% | 0.441 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 174.8 | -76.6 | -179.5 | 0.3 | 0 | 0 | 112.6 | H1537 H1538 Q1539 L1544 K1545 | H1537-Q1541 VanDerWaalsContact O-CB 3.29Å; H1537-Q1541 WeakPolarHBondContact O-CB 3.41Å; H1537-Q1541 VanDerWaalsContact O-CG 3.27Å; H1537-Q1541 WeakPolarHBondContact O-CG 3.34Å; H1537-Q1541 PolarHBondContact O-N 3.17Å; H1537-Q1541 VanDerWaalsContact O-N 3.12Å; H1538-Q1541 WeakPolarHBondContact O-CB 3.43Å; H1538-Q1541 PolarHBondContact O-N 3.1Å; Q1539-Q1541 VanDerWaalsContact C-N 3.31Å; Q1539-Q1541 PolarHBondContact O-N 3.07Å; Q1541-L1544 PolarHBondContact O-N 3.12Å; Q1541-K1545 WeakPolarHBondContact O-CB 3.24Å; Q1541-K1545 VanDerWaalsContact O-CG 3.29Å; Q1541-K1545 WeakPolarHBondContact O-CG 3.29Å; Q1541-K1545 PolarHBondContact O-N 3.21Å |
| 1542 | H | 60.7 | Low | 57.6 | Low | 126 Ų | 126 | 87 Ų | 87 | 58% | 0.583 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 175.8 | -104 | -76.3 | 0 | 0 | 0 | 112 | H1538 Q1539 Q1540 L1544 K1545 L1546 | H1538-H1542 VanDerWaalsContact O-CB 3.26Å; H1538-H1542 WeakPolarHBondContact O-CB 3.37Å; H1538-H1542 PolarHBondContact O-CD2 3.08Å; H1538-H1542 PolarHBondContact O-N 3.21Å; Q1539-H1542 PolarHBondContact O-N 3.15Å; Q1539-H1542 VanDerWaalsContact O-N 3.11Å; Q1540-H1542 VanDerWaalsContact C-N 3.32Å; Q1540-H1542 PolarHBondContact O-N 3.24Å; H1542-L1544 VanDerWaalsContact C-N 3.31Å; H1542-L1544 PolarHBondContact O-N 2.84Å; H1542-K1545 WeakPolarHBondContact O-CB 3.35Å; H1542-K1545 PolarHBondContact O-N 3.37Å; H1542-L1546 WeakPolarHBondContact O-CB 3.35Å; H1542-L1546 PolarHBondContact O-N 3.11Å |
| 1543 | Q | 63.1 | Low | 59.5 | Low | 23.4 Ų | 23.4 | 87.8 Ų | 87.8 | 11% | 0.109 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.7 | -36.7 | 175.6 | -74.6 | -176.9 | -10.9 | 0 | 0 | 112.5 | F1515 F1518 Q1539 Q1540 K1545 L1546 L1547 | F1515-Q1543 HydrophobicContact CZ-CB 4.43Å; F1518-Q1543 VanDerWaalsContact CE1-OE1 3.27Å; F1518-Q1543 VanDerWaalsContact CE2-OE1 3.26Å; F1518-Q1543 VanDerWaalsContact CZ-CD 3.43Å; F1518-Q1543 VanDerWaalsContact CZ-NE2 3.35Å; F1518-Q1543 VanDerWaalsContact CZ-OE1 3.27Å; Q1539-Q1543 WeakPolarHBondContact O-CB 3.47Å; Q1539-Q1543 PolarHBondContact O-N 3.28Å; Q1540-Q1543 PolarHBondContact O-N 3.01Å; Q1543-K1545 VanDerWaalsContact C-N 3.34Å; Q1543-K1545 PolarHBondContact O-N 2.91Å; Q1543-L1546 PolarHBondContact O-N 3.17Å; Q1543-L1547 VanDerWaalsContact O-CB 3.31Å; Q1543-L1547 WeakPolarHBondContact O-CB 3.41Å; Q1543-L1547 WeakPolarHBondContact O-CG 3.35Å; Q1543-L1547 PolarHBondContact O-N 3.06Å |
| 1544 | L | 64.8 | Low | 61.5 | Low | 55.6 Ų | 55.6 | 79 Ų | 79 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 171.3 | -80.3 | 168.3 | 0 | 0 | 0 | 111.6 | K1511 F1515 Q1540 Q1541 H1542 L1546 L1547 Q1548 | K1511-L1544 HydrophobicContact CD-CD2 4.43Å; K1511-L1544 VanDerWaalsContact CE-CD2 3.49Å; F1515-L1544 HydrophobicContact CD2-CD2 4.25Å; F1515-L1544 HydrophobicContact CE1-CD1 4.32Å; F1515-L1544 HydrophobicContact CE1-CD2 4.21Å; F1515-L1544 HydrophobicContact CE1-CG 4.16Å; F1515-L1544 HydrophobicContact CE2-CD2 3.56Å; F1515-L1544 VanDerWaalsContact CE2-CD2 3.43Å; F1515-L1544 HydrophobicContact CE2-CG 4.11Å; F1515-L1544 HydrophobicContact CZ-CB 4.4Å; F1515-L1544 HydrophobicContact CZ-CD1 4.27Å; F1515-L1544 HydrophobicContact CZ-CD2 3.29Å; F1515-L1544 HydrophobicContact CZ-CG 3.62Å; F1515-L1544 VanDerWaalsContact CZ-CG 3.45Å; Q1540-L1544 VanDerWaalsContact O-CB 3.29Å; Q1540-L1544 WeakPolarHBondContact O-CB 3.4Å; Q1540-L1544 WeakPolarHBondContact O-CD1 3.19Å; Q1540-L1544 VanDerWaalsContact O-CG 3.28Å; Q1540-L1544 WeakPolarHBondContact O-CG 3.34Å; Q1540-L1544 PolarHBondContact O-N 3.11Å; Q1541-L1544 PolarHBondContact O-N 3.12Å; H1542-L1544 VanDerWaalsContact C-N 3.31Å; H1542-L1544 PolarHBondContact O-N 2.84Å; L1544-L1546 VanDerWaalsContact C-N 3.33Å; L1544-L1546 PolarHBondContact O-N 2.95Å; L1544-L1547 WeakPolarHBondContact O-CB 3.3Å; L1544-L1547 PolarHBondContact O-N 3.13Å; L1544-Q1548 VanDerWaalsContact O-CB 3.26Å; L1544-Q1548 WeakPolarHBondContact O-CB 3.4Å; L1544-Q1548 PolarHBondContact O-N 3.12Å |
| 1545 | K | 67.6 | Low | 63.2 | Low | 135 Ų | 135 | 72.6 Ų | 72.6 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 174.9 | -77.8 | 179.2 | 179.7 | -179.4 | 0 | 111.5 | Q1541 H1542 Q1543 L1547 Q1548 T1549 | Q1541-K1545 WeakPolarHBondContact O-CB 3.24Å; Q1541-K1545 VanDerWaalsContact O-CG 3.29Å; Q1541-K1545 WeakPolarHBondContact O-CG 3.29Å; Q1541-K1545 PolarHBondContact O-N 3.21Å; H1542-K1545 WeakPolarHBondContact O-CB 3.35Å; H1542-K1545 PolarHBondContact O-N 3.37Å; Q1543-K1545 VanDerWaalsContact C-N 3.34Å; Q1543-K1545 PolarHBondContact O-N 2.91Å; K1545-L1547 VanDerWaalsContact C-N 3.32Å; K1545-L1547 PolarHBondContact O-N 2.86Å; K1545-Q1548 WeakPolarHBondContact O-CB 3.15Å; K1545-Q1548 PolarHBondContact O-N 3.15Å; K1545-Q1548 VanDerWaalsContact O-N 3.09Å; K1545-T1549 WeakPolarHBondContact O-CB 3.49Å; K1545-T1549 VanDerWaalsContact O-CG2 3.26Å; K1545-T1549 WeakPolarHBondContact O-CG2 3.37Å; K1545-T1549 PolarHBondContact O-N 3.07Å; K1545-T1549 PolarHBondContact O-OG1 3.08Å |
| 1546 | L | 67.7 | Low | 65 | Low | 45.8 Ų | 45.8 | 71.2 Ų | 71.2 | 24% | 0.24 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.3 | -174.3 | 71.7 | 0 | 0 | 0 | 112 | E1452 H1542 Q1543 L1544 Q1548 T1549 N1550 | E1452-L1546 HydrophobicContact CG-CD2 4.11Å; H1542-L1546 WeakPolarHBondContact O-CB 3.35Å; H1542-L1546 PolarHBondContact O-N 3.11Å; Q1543-L1546 PolarHBondContact O-N 3.17Å; L1544-L1546 VanDerWaalsContact C-N 3.33Å; L1544-L1546 PolarHBondContact O-N 2.95Å; L1546-Q1548 VanDerWaalsContact C-N 3.32Å; L1546-T1549 VanDerWaalsContact CA-OG1 3.27Å; L1546-T1549 WeakPolarHBondContact CA-OG1 3.28Å; L1546-T1549 PolarHBondContact O-N 2.99Å; L1546-T1549 PolarHBondContact O-OG1 2.78Å; L1546-N1550 VanDerWaalsContact O-CB 3.27Å; L1546-N1550 WeakPolarHBondContact O-CB 3.37Å; L1546-N1550 PolarHBondContact O-N 3.01Å; L1546-N1550 VanDerWaalsContact O-N 3.1Å; L1546-N1550 PolarHBondContact O-ND2 3.01Å; L1546-N1550 VanDerWaalsContact O-ND2 3.12Å |
| 1547 | L | 68.9 | Low | 66.7 | Low | 9.2 Ų | 9.2 | 67.3 Ų | 67.3 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.6 | -84.4 | 169.7 | 0 | 0 | 0 | 110.4 | Q1455 Y1507 F1515 Q1543 L1544 K1545 T1549 N1550 R1551 | Q1455-L1547 HydrophobicContact CG-CD2 4.19Å; Q1455-L1547 VanDerWaalsContact NE2-CG 3.31Å; Y1507-L1547 HydrophobicContact CE1-CB 3.96Å; Y1507-L1547 HydrophobicContact CE1-CD2 3.91Å; Y1507-L1547 HydrophobicContact CE1-CG 4.34Å; Y1507-L1547 WeakPolarHBondContact CE1-O 3.29Å; Y1507-L1547 HydrophobicContact CE2-CD2 4.3Å; Y1507-L1547 VanDerWaalsContact CZ-O 3.31Å; Y1507-L1547 VanDerWaalsContact OH-C 3.27Å; Y1507-L1547 VanDerWaalsContact OH-CA 3.24Å; Y1507-L1547 WeakPolarHBondContact OH-CA 3.35Å; Y1507-L1547 WeakPolarHBondContact OH-CB 3.44Å; Y1507-L1547 VanDerWaalsContact OH-CD2 3.28Å; Y1507-L1547 WeakPolarHBondContact OH-CD2 3.38Å; Y1507-L1547 PolarHBondContact OH-O 3.07Å; F1515-L1547 HydrophobicContact CE2-CD1 3.78Å; F1515-L1547 VanDerWaalsContact CE2-CD1 3.45Å; F1515-L1547 HydrophobicContact CZ-CD1 4.11Å; Q1543-L1547 VanDerWaalsContact O-CB 3.31Å; Q1543-L1547 WeakPolarHBondContact O-CB 3.41Å; Q1543-L1547 WeakPolarHBondContact O-CG 3.35Å; Q1543-L1547 PolarHBondContact O-N 3.06Å; L1544-L1547 WeakPolarHBondContact O-CB 3.3Å; L1544-L1547 PolarHBondContact O-N 3.13Å; K1545-L1547 VanDerWaalsContact C-N 3.32Å; K1545-L1547 PolarHBondContact O-N 2.86Å; L1547-T1549 VanDerWaalsContact C-N 3.35Å; L1547-T1549 PolarHBondContact O-N 3.17Å; L1547-N1550 WeakPolarHBondContact O-CB 3.4Å; L1547-N1550 PolarHBondContact O-N 3.02Å; L1547-R1551 WeakPolarHBondContact O-CB 3.11Å; L1547-R1551 PolarHBondContact O-N 3.14Å |
| 1548 | Q | 68.6 | Low | 68.2 | Low | 103.6 Ų | 103.6 | 61.9 Ų | 61.9 | 48% | 0.484 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 179.8 | -169.2 | 152.7 | 3.5 | 0 | 0 | 111.9 | Y1507 L1544 K1545 L1546 N1550 R1551 D1552 | Y1507-Q1548 PolarHBondContact OH-N 2.65Å; L1544-Q1548 VanDerWaalsContact O-CB 3.26Å; L1544-Q1548 WeakPolarHBondContact O-CB 3.4Å; L1544-Q1548 PolarHBondContact O-N 3.12Å; K1545-Q1548 WeakPolarHBondContact O-CB 3.15Å; K1545-Q1548 PolarHBondContact O-N 3.15Å; K1545-Q1548 VanDerWaalsContact O-N 3.09Å; L1546-Q1548 VanDerWaalsContact C-N 3.32Å; Q1548-N1550 VanDerWaalsContact C-N 3.34Å; Q1548-N1550 PolarHBondContact O-N 3.21Å; Q1548-R1551 CarbonylContact O-C 3.59Å; Q1548-R1551 WeakPolarHBondContact O-CB 3.34Å; Q1548-R1551 PolarHBondContact O-N 3.07Å; Q1548-R1551 VanDerWaalsContact O-N 3.14Å; Q1548-D1552 VanDerWaalsContact O-CG 3.26Å; Q1548-D1552 PolarHBondContact O-N 3.15Å |
| 1549 | T | 71.8 | Confident | 69.4 | Low | 60.2 Ų | 60.2 | 58.6 Ų | 58.6 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.2 | 38.7 | 0 | 0 | 0 | 0 | 112.1 | K1545 L1546 L1547 R1551 D1552 H1553 | K1545-T1549 WeakPolarHBondContact O-CB 3.49Å; K1545-T1549 VanDerWaalsContact O-CG2 3.26Å; K1545-T1549 WeakPolarHBondContact O-CG2 3.37Å; K1545-T1549 PolarHBondContact O-N 3.07Å; K1545-T1549 PolarHBondContact O-OG1 3.08Å; L1546-T1549 VanDerWaalsContact CA-OG1 3.27Å; L1546-T1549 WeakPolarHBondContact CA-OG1 3.28Å; L1546-T1549 PolarHBondContact O-N 2.99Å; L1546-T1549 PolarHBondContact O-OG1 2.78Å; L1547-T1549 VanDerWaalsContact C-N 3.35Å; L1547-T1549 PolarHBondContact O-N 3.17Å; T1549-R1551 VanDerWaalsContact C-N 3.3Å; T1549-R1551 PolarHBondContact O-N 3.24Å; T1549-D1552 PolarHBondContact O-N 3.03Å; T1549-H1553 WeakPolarHBondContact O-CB 3.45Å; T1549-H1553 VanDerWaalsContact O-CG 3.27Å; T1549-H1553 PolarHBondContact O-N 3.17Å; T1549-H1553 PolarHBondContact O-ND1 3.06Å; T1549-H1553 VanDerWaalsContact O-ND1 3.11Å |
| 1550 | N | 71.6 | Confident | 70.4 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 175.3 | -76.3 | -13.5 | 0 | 0 | 0 | 112.3 | H1459 Y1507 L1546 L1547 Q1548 L1554 | H1459-N1550 VanDerWaalsContact CE1-CB 3.47Å; H1459-N1550 WeakPolarHBondContact CE1-CB 3.49Å; H1459-N1550 PolarHBondContact CE1-O 3.27Å; H1459-N1550 VanDerWaalsContact CE1-O 3.28Å; H1459-N1550 PolarHBondContact NE2-OD1 3.37Å; Y1507-N1550 HydrophobicContact CE2-CB 4.47Å; Y1507-N1550 WeakPolarHBondContact OH-CB 3.34Å; L1546-N1550 VanDerWaalsContact O-CB 3.27Å; L1546-N1550 WeakPolarHBondContact O-CB 3.37Å; L1546-N1550 PolarHBondContact O-N 3.01Å; L1546-N1550 VanDerWaalsContact O-N 3.1Å; L1546-N1550 PolarHBondContact O-ND2 3.01Å; L1546-N1550 VanDerWaalsContact O-ND2 3.12Å; L1547-N1550 WeakPolarHBondContact O-CB 3.4Å; L1547-N1550 PolarHBondContact O-N 3.02Å; Q1548-N1550 VanDerWaalsContact C-N 3.34Å; Q1548-N1550 PolarHBondContact O-N 3.21Å; N1550-L1554 WeakPolarHBondContact O-CB 3.37Å; N1550-L1554 WeakPolarHBondContact O-CD1 3.46Å; N1550-L1554 WeakPolarHBondContact O-CG 3.22Å; N1550-L1554 PolarHBondContact O-N 3.21Å; N1550-L1554 VanDerWaalsContact O-N 3.12Å |
| 1551 | R | 73.9 | Confident | 71.3 | Confident | 41.4 Ų | 41.4 | 54.9 Ų | 54.9 | 16% | 0.156 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 173.3 | -177.6 | -176.7 | 170.2 | -170.8 | -8 | 111.1 | Y1507 L1547 Q1548 T1549 H1553 L1554 E1555 T1681 | Y1507-R1551 HydrophobicContact CD1-CB 3.97Å; Y1507-R1551 HydrophobicContact CD1-CG 4.11Å; Y1507-R1551 HydrophobicContact CD2-CB 4.35Å; Y1507-R1551 HydrophobicContact CD2-CG 4.2Å; Y1507-R1551 HydrophobicContact CE1-CB 3.81Å; Y1507-R1551 HydrophobicContact CE1-CG 4.28Å; Y1507-R1551 HydrophobicContact CE2-CB 4.14Å; Y1507-R1551 HydrophobicContact CE2-CG 4.3Å; Y1507-R1551 HydrophobicContact CG-CB 4.28Å; Y1507-R1551 HydrophobicContact CG-CG 4.22Å; L1547-R1551 WeakPolarHBondContact O-CB 3.11Å; L1547-R1551 PolarHBondContact O-N 3.14Å; Q1548-R1551 CarbonylContact O-C 3.59Å; Q1548-R1551 WeakPolarHBondContact O-CB 3.34Å; Q1548-R1551 PolarHBondContact O-N 3.07Å; Q1548-R1551 VanDerWaalsContact O-N 3.14Å; T1549-R1551 VanDerWaalsContact C-N 3.3Å; T1549-R1551 PolarHBondContact O-N 3.24Å; R1551-H1553 VanDerWaalsContact C-N 3.33Å; R1551-H1553 PolarHBondContact O-N 3.07Å; R1551-L1554 CarbonylContact O-C 3.59Å; R1551-L1554 WeakPolarHBondContact O-CB 3.42Å; R1551-L1554 PolarHBondContact O-N 3.18Å; R1551-L1554 VanDerWaalsContact O-N 3.15Å; R1551-E1555 IonicContact NE-OE2 4Å; R1551-E1555 VanDerWaalsContact O-CB 3.3Å; R1551-E1555 WeakPolarHBondContact O-CB 3.36Å; R1551-E1555 PolarHBondContact O-N 3.06Å; R1551-T1681 VanDerWaalsContact NH2-CB 3.33Å; R1551-T1681 VanDerWaalsContact NH2-CG2 3.26Å; R1551-T1681 PolarHBondContact NH2-OG1 2.93Å |
| 1552 | D | 72.6 | Confident | 72 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | -178.6 | -64 | -23.3 | 0 | 0 | 0 | 111.3 | Q1548 T1549 E1555 H1556 | Q1548-D1552 VanDerWaalsContact O-CG 3.26Å; Q1548-D1552 PolarHBondContact O-N 3.15Å; T1549-D1552 PolarHBondContact O-N 3.03Å; D1552-E1555 PolarHBondContact O-N 3.09Å; D1552-H1556 VanDerWaalsContact O-CB 3.26Å; D1552-H1556 WeakPolarHBondContact O-CB 3.36Å; D1552-H1556 PolarHBondContact O-N 3.17Å |
| 1553 | H | 75.7 | Confident | 72.4 | Confident | 102.8 Ų | 102.8 | 48.2 Ų | 48.2 | 48% | 0.476 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 173.5 | -68.3 | 139 | 0 | 0 | 0 | 112.4 | T1549 R1551 E1555 H1556 L1557 | T1549-H1553 WeakPolarHBondContact O-CB 3.45Å; T1549-H1553 VanDerWaalsContact O-CG 3.27Å; T1549-H1553 PolarHBondContact O-N 3.17Å; T1549-H1553 PolarHBondContact O-ND1 3.06Å; T1549-H1553 VanDerWaalsContact O-ND1 3.11Å; R1551-H1553 VanDerWaalsContact C-N 3.33Å; R1551-H1553 PolarHBondContact O-N 3.07Å; H1553-E1555 VanDerWaalsContact C-N 3.32Å; H1553-E1555 PolarHBondContact O-N 3.11Å; H1553-H1556 PolarHBondContact O-N 3.19Å; H1553-L1557 WeakPolarHBondContact O-CB 3.38Å; H1553-L1557 PolarHBondContact O-N 3.3Å |
| 1554 | L | 77.7 | Confident | 72.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 177.4 | -140.3 | 144 | 0 | 0 | 0 | 111.4 | R1462 M1463 I1466 Q1503 L1504 N1550 R1551 H1556 L1557 I1558 | R1462-L1554 HydrophobicContact CG-CD1 3.87Å; R1462-L1554 HydrophobicContact CG-CD2 4.06Å; R1462-L1554 VanDerWaalsContact CZ-CD1 3.48Å; M1463-L1554 HydrophobicContact SD-CD2 4.26Å; I1466-L1554 HydrophobicContact CD1-CD1 4.03Å; I1466-L1554 HydrophobicContact CD1-CD2 3.62Å; I1466-L1554 HydrophobicContact CD1-CG 4.31Å; Q1503-L1554 HydrophobicContact CB-CD1 4.46Å; Q1503-L1554 HydrophobicContact CB-CD2 4.32Å; L1504-L1554 HydrophobicContact CD2-CB 4.47Å; L1504-L1554 HydrophobicContact CD2-CD2 3.54Å; L1504-L1554 VanDerWaalsContact CD2-CD2 3.46Å; L1504-L1554 HydrophobicContact CG-CD2 4Å; N1550-L1554 WeakPolarHBondContact O-CB 3.37Å; N1550-L1554 WeakPolarHBondContact O-CD1 3.46Å; N1550-L1554 WeakPolarHBondContact O-CG 3.22Å; N1550-L1554 PolarHBondContact O-N 3.21Å; N1550-L1554 VanDerWaalsContact O-N 3.12Å; R1551-L1554 CarbonylContact O-C 3.59Å; R1551-L1554 WeakPolarHBondContact O-CB 3.42Å; R1551-L1554 PolarHBondContact O-N 3.18Å; R1551-L1554 VanDerWaalsContact O-N 3.15Å; L1554-H1556 VanDerWaalsContact C-N 3.33Å; L1554-H1556 PolarHBondContact O-N 3.43Å; L1554-L1557 PolarHBondContact O-N 3.11Å; L1554-I1558 HydrophobicContact CD2-CD1 3.46Å; L1554-I1558 VanDerWaalsContact CD2-CD1 3.46Å; L1554-I1558 HydrophobicContact CD2-CG1 4.46Å; L1554-I1558 HydrophobicContact CG-CD1 3.84Å; L1554-I1558 WeakPolarHBondContact O-CB 3.33Å; L1554-I1558 VanDerWaalsContact O-CG1 3.28Å; L1554-I1558 WeakPolarHBondContact O-CG1 3.38Å; L1554-I1558 PolarHBondContact O-N 3.09Å |
| 1555 | E | 75.6 | Confident | 72.3 | Confident | 11.2 Ų | 11.2 | 47.4 Ų | 47.4 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.4 | -170.8 | 176.7 | 146.8 | 0 | 0 | 111.5 | L1504 R1551 D1552 H1553 L1557 I1558 K1559 S1682 S1684 | L1504-E1555 HydrophobicContact CD2-CB 3.8Å; L1504-E1555 HydrophobicContact CD2-CG 4.13Å; R1551-E1555 IonicContact NE-OE2 4Å; R1551-E1555 VanDerWaalsContact O-CB 3.3Å; R1551-E1555 WeakPolarHBondContact O-CB 3.36Å; R1551-E1555 PolarHBondContact O-N 3.06Å; D1552-E1555 PolarHBondContact O-N 3.09Å; H1553-E1555 VanDerWaalsContact C-N 3.32Å; H1553-E1555 PolarHBondContact O-N 3.11Å; E1555-L1557 PolarHBondContact O-N 3.04Å; E1555-I1558 PolarHBondContact O-N 2.88Å; E1555-K1559 HydrophobicContact CG-CD 4.21Å; E1555-K1559 VanDerWaalsContact CG-CE 3.49Å; E1555-K1559 HydrophobicContact CG-CG 4.49Å; E1555-K1559 VanDerWaalsContact O-CB 3.24Å; E1555-K1559 WeakPolarHBondContact O-CB 3.31Å; E1555-K1559 VanDerWaalsContact O-CG 3.27Å; E1555-K1559 WeakPolarHBondContact O-CG 3.41Å; E1555-K1559 PolarHBondContact O-N 3.03Å; E1555-K1559 WeakPolarHBondContact OE1-CE 3.26Å; E1555-K1559 IonicContact OE1-NZ 3.31Å; E1555-K1559 PolarHBondContact OE1-NZ 3.11Å; E1555-S1682 WeakPolarHBondContact OE1-CB 3.48Å; E1555-S1682 PolarHBondContact OE1-OG 3Å; E1555-S1684 PolarHBondContact OE1-OG 3.31Å; E1555-S1684 VanDerWaalsContact OE1-OG 3.09Å |
| 1556 | H | 77.3 | Confident | 71.6 | Confident | 114.8 Ų | 114.8 | 44.8 Ų | 44.8 | 53% | 0.531 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 175 | -170.4 | 71 | 0 | 0 | 0 | 111.7 | D1552 H1553 L1554 I1558 K1559 Q1560 | D1552-H1556 VanDerWaalsContact O-CB 3.26Å; D1552-H1556 WeakPolarHBondContact O-CB 3.36Å; D1552-H1556 PolarHBondContact O-N 3.17Å; H1553-H1556 PolarHBondContact O-N 3.19Å; L1554-H1556 VanDerWaalsContact C-N 3.33Å; L1554-H1556 PolarHBondContact O-N 3.43Å; H1556-I1558 PolarHBondContact O-N 3.24Å; H1556-K1559 PolarHBondContact O-N 3.24Å; H1556-Q1560 PolarHBondContact CD2-NE2 2.98Å; H1556-Q1560 VanDerWaalsContact CD2-NE2 3.31Å; H1556-Q1560 PolarHBondContact NE2-NE2 3.1Å; H1556-Q1560 WeakPolarHBondContact O-CB 3.27Å; H1556-Q1560 VanDerWaalsContact O-CG 3.3Å; H1556-Q1560 WeakPolarHBondContact O-CG 3.21Å; H1556-Q1560 PolarHBondContact O-N 3.21Å |
| 1557 | L | 77.5 | Confident | 70.7 | Confident | 15.2 Ų | 15.2 | 49.6 Ų | 49.6 | 8% | 0.08 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 179.4 | -175.9 | 103.1 | 0 | 0 | 0 | 112.1 | M1463 I1466 V1467 K1470 H1553 L1554 E1555 Q1560 I1561 | M1463-L1557 HydrophobicContact CE-CB 4.07Å; M1463-L1557 HydrophobicContact CE-CD1 3.57Å; M1463-L1557 VanDerWaalsContact CE-CD1 3.45Å; M1463-L1557 HydrophobicContact CE-CD2 3.8Å; M1463-L1557 HydrophobicContact CE-CG 4.16Å; M1463-L1557 HydrophobicContact CG-CD2 4.48Å; M1463-L1557 HydrophobicContact SD-CB 4.4Å; M1463-L1557 HydrophobicContact SD-CD1 3.85Å; M1463-L1557 HydrophobicContact SD-CD2 3.79Å; M1463-L1557 WeakPolarHBondContact SD-CD2 3.37Å; M1463-L1557 HydrophobicContact SD-CG 4.36Å; I1466-L1557 HydrophobicContact CB-CD2 3.87Å; I1466-L1557 HydrophobicContact CD1-CD2 4.41Å; I1466-L1557 HydrophobicContact CG2-CD2 3.28Å; I1466-L1557 VanDerWaalsContact CG2-CD2 3.42Å; I1466-L1557 HydrophobicContact CG2-CG 4Å; V1467-L1557 HydrophobicContact CG2-CD1 3.98Å; V1467-L1557 HydrophobicContact CG2-CD2 3.91Å; K1470-L1557 HydrophobicContact CD-CD1 4.2Å; H1553-L1557 WeakPolarHBondContact O-CB 3.38Å; H1553-L1557 PolarHBondContact O-N 3.3Å; L1554-L1557 PolarHBondContact O-N 3.11Å; E1555-L1557 PolarHBondContact O-N 3.04Å; L1557-Q1560 WeakPolarHBondContact O-CB 3.4Å; L1557-Q1560 PolarHBondContact O-N 3.21Å; L1557-I1561 HydrophobicContact CD1-CD1 4.46Å; L1557-I1561 HydrophobicContact CD2-CD1 3.89Å; L1557-I1561 HydrophobicContact CG-CD1 4.19Å; L1557-I1561 WeakPolarHBondContact O-CB 3.37Å; L1557-I1561 WeakPolarHBondContact O-CD1 3.29Å; L1557-I1561 VanDerWaalsContact O-CG1 3.3Å; L1557-I1561 WeakPolarHBondContact O-CG1 3.37Å; L1557-I1561 PolarHBondContact O-N 3.32Å; L1557-I1561 VanDerWaalsContact O-N 3.14Å |
| 1558 | I | 79.1 | Confident | 69.5 | Low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 178 | -70.4 | 167.9 | 0 | 0 | 0 | 110.2 | I1466 L1500 Q1503 L1504 L1554 E1555 H1556 Q1560 I1561 L1562 | I1466-I1558 HydrophobicContact CD1-CD1 4.29Å; I1466-I1558 HydrophobicContact CD1-CG1 4.39Å; I1466-I1558 HydrophobicContact CG2-CG1 4.42Å; L1500-I1558 HydrophobicContact CB-CG2 4.39Å; L1500-I1558 HydrophobicContact CD2-CG1 4.34Å; L1500-I1558 WeakPolarHBondContact O-CD1 3.31Å; Q1503-I1558 HydrophobicContact CB-CD1 4.13Å; L1504-I1558 HydrophobicContact CD1-CB 4.26Å; L1504-I1558 HydrophobicContact CD1-CD1 4.1Å; L1504-I1558 HydrophobicContact CD1-CG2 3.86Å; L1504-I1558 HydrophobicContact CD2-CD1 3.98Å; L1504-I1558 HydrophobicContact CG-CD1 3.73Å; L1504-I1558 HydrophobicContact CG-CG2 4.42Å; L1554-I1558 HydrophobicContact CD2-CD1 3.46Å; L1554-I1558 VanDerWaalsContact CD2-CD1 3.46Å; L1554-I1558 HydrophobicContact CD2-CG1 4.46Å; L1554-I1558 HydrophobicContact CG-CD1 3.84Å; L1554-I1558 WeakPolarHBondContact O-CB 3.33Å; L1554-I1558 VanDerWaalsContact O-CG1 3.28Å; L1554-I1558 WeakPolarHBondContact O-CG1 3.38Å; L1554-I1558 PolarHBondContact O-N 3.09Å; E1555-I1558 PolarHBondContact O-N 2.88Å; H1556-I1558 PolarHBondContact O-N 3.24Å; I1558-Q1560 VanDerWaalsContact C-N 3.32Å; I1558-Q1560 PolarHBondContact O-N 3.15Å; I1558-I1561 WeakPolarHBondContact O-CB 3.34Å; I1558-I1561 PolarHBondContact O-N 3.19Å; I1558-I1561 VanDerWaalsContact O-N 3.14Å; I1558-L1562 HydrophobicContact CG2-CD1 3.66Å; I1558-L1562 VanDerWaalsContact CG2-CD1 3.47Å; I1558-L1562 HydrophobicContact CG2-CG 3.96Å; I1558-L1562 WeakPolarHBondContact O-CB 3.27Å; I1558-L1562 VanDerWaalsContact O-CG 3.27Å; I1558-L1562 WeakPolarHBondContact O-CG 3.37Å; I1558-L1562 PolarHBondContact O-N 3.13Å |
| 1559 | K | 75.2 | Confident | 68.2 | Low | 39.8 Ų | 39.8 | 49 Ų | 49 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.2 | -43.2 | 173.8 | -78 | 175.3 | -177.7 | 165.2 | 0 | 112.1 | E1555 H1556 I1561 L1562 H1563 S1682 S1684 T1688 | E1555-K1559 HydrophobicContact CG-CD 4.21Å; E1555-K1559 VanDerWaalsContact CG-CE 3.49Å; E1555-K1559 HydrophobicContact CG-CG 4.49Å; E1555-K1559 VanDerWaalsContact O-CB 3.24Å; E1555-K1559 WeakPolarHBondContact O-CB 3.31Å; E1555-K1559 VanDerWaalsContact O-CG 3.27Å; E1555-K1559 WeakPolarHBondContact O-CG 3.41Å; E1555-K1559 PolarHBondContact O-N 3.03Å; E1555-K1559 WeakPolarHBondContact OE1-CE 3.26Å; E1555-K1559 IonicContact OE1-NZ 3.31Å; E1555-K1559 PolarHBondContact OE1-NZ 3.11Å; H1556-K1559 PolarHBondContact O-N 3.24Å; K1559-I1561 VanDerWaalsContact C-N 3.31Å; K1559-I1561 PolarHBondContact O-N 2.97Å; K1559-L1562 PolarHBondContact O-N 3.19Å; K1559-H1563 VanDerWaalsContact O-CB 3.29Å; K1559-H1563 WeakPolarHBondContact O-CB 3.31Å; K1559-H1563 PolarHBondContact O-CD2 3.27Å; K1559-H1563 VanDerWaalsContact O-CG 3.26Å; K1559-H1563 PolarHBondContact O-N 3.06Å; K1559-S1682 PolarHBondContact NZ-OG 3.24Å; K1559-S1682 VanDerWaalsContact NZ-OG 3.16Å; K1559-S1684 WeakPolarHBondContact CE-OG 3.29Å; K1559-S1684 VanDerWaalsContact NZ-CB 3.26Å; K1559-S1684 PolarHBondContact NZ-OG 2.87Å; K1559-T1688 HydrophobicContact CG-CG2 4.36Å |
| 1560 | Q | 74.8 | Confident | 66.9 | Low | 82.2 Ų | 82.2 | 48.2 Ų | 48.2 | 38% | 0.384 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 175.3 | -74.2 | -178 | 4 | 0 | 0 | 112.1 | K1470 H1556 L1557 I1558 H1563 S1564 | K1470-Q1560 VanDerWaalsContact NZ-OE1 3.11Å; H1556-Q1560 PolarHBondContact CD2-NE2 2.98Å; H1556-Q1560 VanDerWaalsContact CD2-NE2 3.31Å; H1556-Q1560 PolarHBondContact NE2-NE2 3.1Å; H1556-Q1560 WeakPolarHBondContact O-CB 3.27Å; H1556-Q1560 VanDerWaalsContact O-CG 3.3Å; H1556-Q1560 WeakPolarHBondContact O-CG 3.21Å; H1556-Q1560 PolarHBondContact O-N 3.21Å; L1557-Q1560 WeakPolarHBondContact O-CB 3.4Å; L1557-Q1560 PolarHBondContact O-N 3.21Å; I1558-Q1560 VanDerWaalsContact C-N 3.32Å; I1558-Q1560 PolarHBondContact O-N 3.15Å; Q1560-H1563 PolarHBondContact O-N 3.41Å; Q1560-S1564 WeakPolarHBondContact O-CB 3.36Å; Q1560-S1564 PolarHBondContact O-N 3.05Å; Q1560-S1564 VanDerWaalsContact O-N 3.11Å; Q1560-S1564 PolarHBondContact O-OG 3.04Å |
| 1561 | I | 74.3 | Confident | 65.4 | Low | 0.4 Ų | 0.4 | 50.8 Ų | 50.8 | 0% | 0.002 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.8 | -51.8 | 178.1 | -67 | 165.9 | 0 | 0 | 0 | 110.1 | I1466 K1470 F1496 L1500 L1557 I1558 K1559 H1563 S1564 F1565 | I1466-I1561 HydrophobicContact CG2-CD1 3.32Å; I1466-I1561 VanDerWaalsContact CG2-CD1 3.46Å; K1470-I1561 HydrophobicContact CB-CD1 3.85Å; K1470-I1561 HydrophobicContact CB-CG1 3.92Å; K1470-I1561 HydrophobicContact CD-CD1 4.16Å; K1470-I1561 HydrophobicContact CD-CG1 3.68Å; K1470-I1561 HydrophobicContact CG-CD1 4.25Å; K1470-I1561 HydrophobicContact CG-CG1 3.78Å; F1496-I1561 HydrophobicContact CE1-CG2 4.4Å; F1496-I1561 HydrophobicContact CZ-CG2 4.36Å; L1500-I1561 HydrophobicContact CD1-CD1 4.5Å; L1500-I1561 HydrophobicContact CD1-CG2 3.91Å; L1557-I1561 HydrophobicContact CD1-CD1 4.46Å; L1557-I1561 HydrophobicContact CD2-CD1 3.89Å; L1557-I1561 HydrophobicContact CG-CD1 4.19Å; L1557-I1561 WeakPolarHBondContact O-CB 3.37Å; L1557-I1561 WeakPolarHBondContact O-CD1 3.29Å; L1557-I1561 VanDerWaalsContact O-CG1 3.3Å; L1557-I1561 WeakPolarHBondContact O-CG1 3.37Å; L1557-I1561 PolarHBondContact O-N 3.32Å; L1557-I1561 VanDerWaalsContact O-N 3.14Å; I1558-I1561 WeakPolarHBondContact O-CB 3.34Å; I1558-I1561 PolarHBondContact O-N 3.19Å; I1558-I1561 VanDerWaalsContact O-N 3.14Å; K1559-I1561 VanDerWaalsContact C-N 3.31Å; K1559-I1561 PolarHBondContact O-N 2.97Å; I1561-H1563 VanDerWaalsContact C-N 3.3Å; I1561-H1563 PolarHBondContact O-N 3.25Å; I1561-S1564 WeakPolarHBondContact O-CA 3.4Å; I1561-S1564 WeakPolarHBondContact O-CB 3.4Å; I1561-S1564 PolarHBondContact O-N 3.14Å; I1561-S1564 VanDerWaalsContact O-N 3.13Å; I1561-S1564 PolarHBondContact O-OG 3.22Å; I1561-F1565 HydrophobicContact CG2-CD1 4.49Å; I1561-F1565 HydrophobicContact CG2-CD2 4.11Å; I1561-F1565 HydrophobicContact CG2-CE1 3.78Å; I1561-F1565 HydrophobicContact CG2-CE2 3.97Å; I1561-F1565 HydrophobicContact CG2-CZ 3.55Å; I1561-F1565 VanDerWaalsContact CG2-CZ 3.47Å; I1561-F1565 WeakPolarHBondContact O-CD1 3.38Å; I1561-F1565 WeakPolarHBondContact O-CD2 3.15Å; I1561-F1565 WeakPolarHBondContact O-CG 3.41Å; I1561-F1565 PolarHBondContact O-N 3.23Å |
| 1562 | L | 74 | Confident | 63.7 | Low | 3.8 Ų | 3.8 | 53 Ų | 53 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 178.9 | -69.3 | -177.8 | 0 | 0 | 0 | 112.3 | I1501 I1558 K1559 S1564 F1565 T1688 L1689 I1692 | I1501-L1562 HydrophobicContact CG1-CD1 4.44Å; I1558-L1562 HydrophobicContact CG2-CD1 3.66Å; I1558-L1562 VanDerWaalsContact CG2-CD1 3.47Å; I1558-L1562 HydrophobicContact CG2-CG 3.96Å; I1558-L1562 WeakPolarHBondContact O-CB 3.27Å; I1558-L1562 VanDerWaalsContact O-CG 3.27Å; I1558-L1562 WeakPolarHBondContact O-CG 3.37Å; I1558-L1562 PolarHBondContact O-N 3.13Å; K1559-L1562 PolarHBondContact O-N 3.19Å; L1562-S1564 VanDerWaalsContact C-N 3.33Å; L1562-F1565 HydrophobicContact CB-CD2 4.46Å; L1562-F1565 HydrophobicContact CD2-CD2 3.83Å; L1562-F1565 HydrophobicContact CD2-CE2 3.52Å; L1562-F1565 VanDerWaalsContact CD2-CE2 3.4Å; L1562-F1565 HydrophobicContact CD2-CZ 4.23Å; L1562-F1565 HydrophobicContact CG-CE2 4.46Å; L1562-F1565 VanDerWaalsContact O-CB 3.28Å; L1562-F1565 WeakPolarHBondContact O-CB 3.28Å; L1562-F1565 PolarHBondContact O-N 2.98Å; L1562-F1565 VanDerWaalsContact O-N 3.14Å; L1562-T1688 HydrophobicContact CB-CG2 3.83Å; L1562-T1688 HydrophobicContact CD1-CG2 3.83Å; L1562-T1688 HydrophobicContact CG-CG2 4.44Å; L1562-L1689 HydrophobicContact CD1-CD2 4.42Å; L1562-I1692 HydrophobicContact CB-CD1 3.61Å; L1562-I1692 HydrophobicContact CB-CG1 4.31Å; L1562-I1692 HydrophobicContact CD1-CD1 3.79Å; L1562-I1692 HydrophobicContact CD2-CD1 3.79Å; L1562-I1692 HydrophobicContact CG-CD1 3.89Å |
| 1563 | H | 67.8 | Low | 62 | Low | 77.8 Ų | 77.8 | 54.8 Ų | 54.8 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.2 | -33.6 | 174.3 | -110.8 | 1.9 | 0 | 0 | 0 | 112.7 | K1559 Q1560 I1561 F1565 K1566 E1691 | K1559-H1563 VanDerWaalsContact O-CB 3.29Å; K1559-H1563 WeakPolarHBondContact O-CB 3.31Å; K1559-H1563 PolarHBondContact O-CD2 3.27Å; K1559-H1563 VanDerWaalsContact O-CG 3.26Å; K1559-H1563 PolarHBondContact O-N 3.06Å; Q1560-H1563 PolarHBondContact O-N 3.41Å; I1561-H1563 VanDerWaalsContact C-N 3.3Å; I1561-H1563 PolarHBondContact O-N 3.25Å; H1563-F1565 PolarHBondContact O-N 3.16Å; H1563-F1565 VanDerWaalsContact O-N 3.14Å; H1563-K1566 PolarHBondContact CE1-NZ 3.23Å; H1563-K1566 VanDerWaalsContact ND1-CE 3.29Å; H1563-K1566 WeakPolarHBondContact ND1-CE 3.32Å; H1563-K1566 PolarHBondContact ND1-NZ 2.94Å; H1563-K1566 VanDerWaalsContact O-CB 3.25Å; H1563-K1566 WeakPolarHBondContact O-CB 3.29Å; H1563-K1566 WeakPolarHBondContact O-CG 3.38Å; H1563-K1566 PolarHBondContact O-N 3.13Å; H1563-K1566 VanDerWaalsContact O-N 3.13Å; H1563-E1691 IonicContact CE1-OE2 2.88Å; H1563-E1691 PolarHBondContact CE1-OE2 3.13Å; H1563-E1691 VanDerWaalsContact CE1-OE2 3.28Å; H1563-E1691 IonicContact ND1-OE2 3Å; H1563-E1691 PolarHBondContact ND1-OE2 3.49Å; H1563-E1691 VanDerWaalsContact ND1-OE2 3.13Å |
| 1564 | S | 64.7 | Low | 60.1 | Low | 47.2 Ų | 47.2 | 51.8 Ų | 51.8 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.8 | -24.3 | 172.8 | 76.1 | 0 | 0 | 0 | 0 | 112 | Q1560 I1561 L1562 K1566 Q1567 L1568 | Q1560-S1564 WeakPolarHBondContact O-CB 3.36Å; Q1560-S1564 PolarHBondContact O-N 3.05Å; Q1560-S1564 VanDerWaalsContact O-N 3.11Å; Q1560-S1564 PolarHBondContact O-OG 3.04Å; I1561-S1564 WeakPolarHBondContact O-CA 3.4Å; I1561-S1564 WeakPolarHBondContact O-CB 3.4Å; I1561-S1564 PolarHBondContact O-N 3.14Å; I1561-S1564 VanDerWaalsContact O-N 3.13Å; I1561-S1564 PolarHBondContact O-OG 3.22Å; L1562-S1564 VanDerWaalsContact C-N 3.33Å; S1564-K1566 PolarHBondContact O-N 2.96Å; S1564-Q1567 PolarHBondContact O-N 3.39Å; S1564-L1568 VanDerWaalsContact O-CD1 3.3Å; S1564-L1568 WeakPolarHBondContact O-CD1 3.37Å; S1564-L1568 PolarHBondContact O-N 2.9Å |
| 1565 | F | 61.4 | Low | 58.2 | Low | 13.4 Ų | 13.4 | 55.8 Ų | 55.8 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -9.2 | 174 | -54.7 | -22.7 | 0 | 0 | 0 | 113.7 | Y1473 F1493 F1496 C1497 I1561 L1562 H1563 Q1567 L1568 I1570 | Y1473-F1565 AromaticContact CD1-CD1 3.91Å; Y1473-F1565 HydrophobicContact CD1-CD1 4.18Å; Y1473-F1565 AromaticContact CD1-CE1 3.71Å; Y1473-F1565 HydrophobicContact CD1-CE1 3.71Å; Y1473-F1565 HydrophobicContact CD2-CD1 4.42Å; Y1473-F1565 AromaticContact CD2-CE1 3.93Å; Y1473-F1565 HydrophobicContact CD2-CE1 4.04Å; Y1473-F1565 AromaticContact CE1-CD1 3.38Å; Y1473-F1565 HydrophobicContact CE1-CD1 3.38Å; Y1473-F1565 AromaticContact CE1-CE1 3.37Å; Y1473-F1565 HydrophobicContact CE1-CE1 3.37Å; Y1473-F1565 VanDerWaalsContact CE1-CE1 3.45Å; Y1473-F1565 HydrophobicContact CE1-CZ 4.4Å; Y1473-F1565 AromaticContact CE2-CD1 3.84Å; Y1473-F1565 HydrophobicContact CE2-CD1 4.03Å; Y1473-F1565 AromaticContact CE2-CE1 3.69Å; Y1473-F1565 HydrophobicContact CE2-CE1 3.69Å; Y1473-F1565 VanDerWaalsContact CE2-CE1 3.47Å; Y1473-F1565 HydrophobicContact CE2-CZ 4.33Å; Y1473-F1565 HydrophobicContact CG-CD1 4.43Å; Y1473-F1565 AromaticContact CG-CE1 3.82Å; Y1473-F1565 HydrophobicContact CG-CE1 4.03Å; Y1473-F1565 AromaticContact CZ-CD1 3.27Å; Y1473-F1565 VanDerWaalsContact CZ-CD1 3.41Å; Y1473-F1565 AromaticContact CZ-CE1 3.34Å; Y1473-F1565 VanDerWaalsContact OH-CD1 3.25Å; Y1473-F1565 WeakPolarHBondContact OH-CD1 3.34Å; Y1473-F1565 WeakPolarHBondContact OH-CE1 3.48Å; F1493-F1565 HydrophobicContact CE2-CD1 4.5Å; F1493-F1565 HydrophobicContact CE2-CD2 4.25Å; F1493-F1565 HydrophobicContact CE2-CE1 4.34Å; F1493-F1565 HydrophobicContact CE2-CE2 4.05Å; F1493-F1565 HydrophobicContact CE2-CG 4.47Å; F1493-F1565 HydrophobicContact CE2-CZ 4.29Å; F1493-F1565 HydrophobicContact CZ-CD2 4.08Å; F1493-F1565 HydrophobicContact CZ-CE2 4.35Å; F1493-F1565 HydrophobicContact CZ-CG 4.24Å; F1493-F1565 HydrophobicContact CZ-CZ 4.43Å; F1496-F1565 HydrophobicContact CD1-CZ 4.39Å; F1496-F1565 HydrophobicContact CE1-CE1 4.16Å; F1496-F1565 HydrophobicContact CE1-CE2 4.29Å; F1496-F1565 AromaticContact CE1-CZ 3.6Å; F1496-F1565 HydrophobicContact CE1-CZ 3.7Å; F1496-F1565 VanDerWaalsContact CE1-CZ 3.41Å; F1496-F1565 AromaticContact CZ-CZ 3.84Å; F1496-F1565 HydrophobicContact CZ-CZ 4.02Å; C1497-F1565 VanDerWaalsContact SG-CE2 3.53Å; I1561-F1565 HydrophobicContact CG2-CD1 4.49Å; I1561-F1565 HydrophobicContact CG2-CD2 4.11Å; I1561-F1565 HydrophobicContact CG2-CE1 3.78Å; I1561-F1565 HydrophobicContact CG2-CE2 3.97Å; I1561-F1565 HydrophobicContact CG2-CZ 3.55Å; I1561-F1565 VanDerWaalsContact CG2-CZ 3.47Å; I1561-F1565 WeakPolarHBondContact O-CD1 3.38Å; I1561-F1565 WeakPolarHBondContact O-CD2 3.15Å; I1561-F1565 WeakPolarHBondContact O-CG 3.41Å; I1561-F1565 PolarHBondContact O-N 3.23Å; L1562-F1565 HydrophobicContact CB-CD2 4.46Å; L1562-F1565 HydrophobicContact CD2-CD2 3.83Å; L1562-F1565 HydrophobicContact CD2-CE2 3.52Å; L1562-F1565 VanDerWaalsContact CD2-CE2 3.4Å; L1562-F1565 HydrophobicContact CD2-CZ 4.23Å; L1562-F1565 HydrophobicContact CG-CE2 4.46Å; L1562-F1565 VanDerWaalsContact O-CB 3.28Å; L1562-F1565 WeakPolarHBondContact O-CB 3.28Å; L1562-F1565 PolarHBondContact O-N 2.98Å; L1562-F1565 VanDerWaalsContact O-N 3.14Å; H1563-F1565 PolarHBondContact O-N 3.16Å; H1563-F1565 VanDerWaalsContact O-N 3.14Å; F1565-Q1567 VanDerWaalsContact C-N 3.3Å; F1565-Q1567 CarbonylContact O-C 3.57Å; F1565-Q1567 VanDerWaalsContact O-C 3.23Å; F1565-Q1567 PolarHBondContact O-N 3.2Å; F1565-L1568 HydrophobicContact CB-CD1 4.35Å; F1565-L1568 HydrophobicContact CB-CG 4.23Å; F1565-L1568 HydrophobicContact CD1-CD1 4.3Å; F1565-L1568 CarbonylContact O-C 3.5Å; F1565-L1568 WeakPolarHBondContact O-CG 3.24Å; F1565-L1568 PolarHBondContact O-N 3.38Å; F1565-L1568 VanDerWaalsContact O-N 3.14Å; F1565-I1570 HydrophobicContact CB-CD1 3.64Å; F1565-I1570 HydrophobicContact CD2-CD1 4.31Å; F1565-I1570 HydrophobicContact CG-CD1 4.04Å |
| 1566 | K | 52.8 | Low | 56.3 | Low | 81 Ų | 81 | 58.7 Ų | 58.7 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -28.3 | 177.3 | -76.1 | -177.9 | -179.6 | 178.4 | 0 | 113.7 | H1563 S1564 L1568 E1691 R1694 | H1563-K1566 PolarHBondContact CE1-NZ 3.23Å; H1563-K1566 VanDerWaalsContact ND1-CE 3.29Å; H1563-K1566 WeakPolarHBondContact ND1-CE 3.32Å; H1563-K1566 PolarHBondContact ND1-NZ 2.94Å; H1563-K1566 VanDerWaalsContact O-CB 3.25Å; H1563-K1566 WeakPolarHBondContact O-CB 3.29Å; H1563-K1566 WeakPolarHBondContact O-CG 3.38Å; H1563-K1566 PolarHBondContact O-N 3.13Å; H1563-K1566 VanDerWaalsContact O-N 3.13Å; S1564-K1566 PolarHBondContact O-N 2.96Å; K1566-L1568 VanDerWaalsContact C-N 3.33Å; K1566-L1568 PolarHBondContact O-N 3.25Å; K1566-E1691 VanDerWaalsContact CE-CD 3.4Å; K1566-E1691 VanDerWaalsContact CE-OE2 3.29Å; K1566-E1691 WeakPolarHBondContact CE-OE2 3.39Å; K1566-E1691 IonicContact NZ-OE1 3.56Å; K1566-E1691 PolarHBondContact NZ-OE1 3.43Å; K1566-E1691 IonicContact NZ-OE2 3.05Å; K1566-E1691 PolarHBondContact NZ-OE2 3.3Å; K1566-R1694 PolarHBondContact O-NH2 2.99Å |
| 1567 | Q | 48.5 | Very low | 54.3 | Low | 146.4 Ų | 146.4 | 56.1 Ų | 56.1 | 68% | 0.684 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 12.4 | 174 | -67.8 | -177.6 | -4.1 | 0 | 0 | 111 | H1477 S1564 F1565 P1569 | H1477-Q1567 PolarHBondContact CE1-OE1 2.9Å; H1477-Q1567 VanDerWaalsContact CE1-OE1 3.29Å; H1477-Q1567 PolarHBondContact NE2-OE1 3.44Å; S1564-Q1567 PolarHBondContact O-N 3.39Å; F1565-Q1567 VanDerWaalsContact C-N 3.3Å; F1565-Q1567 CarbonylContact O-C 3.57Å; F1565-Q1567 VanDerWaalsContact O-C 3.23Å; F1565-Q1567 PolarHBondContact O-N 3.2Å; Q1567-P1569 WeakPolarHBondContact O-CD 3.27Å |
| 1568 | L | 45 | Very low | 52.3 | Low | 29 Ų | 29 | 59.4 Ų | 59.4 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -83.2 | 117.3 | 171 | -85.6 | 142.8 | 0 | 0 | 0 | 107.9 | Y1473 H1477 Y1482 F1486 F1493 S1564 F1565 K1566 I1570 D1571 I1692 | Y1473-L1568 HydrophobicContact CE1-CD1 3.85Å; Y1473-L1568 HydrophobicContact CE2-CD1 4.18Å; Y1473-L1568 VanDerWaalsContact OH-CD1 3.23Å; Y1473-L1568 WeakPolarHBondContact OH-CD1 3.23Å; H1477-L1568 HydrophobicContact CB-CD1 4.46Å; H1477-L1568 VanDerWaalsContact CE1-CD2 3.46Å; H1477-L1568 WeakPolarHBondContact CE1-CD2 3.35Å; H1477-L1568 VanDerWaalsContact CE1-CG 3.42Å; H1477-L1568 WeakPolarHBondContact CE1-CG 3.25Å; H1477-L1568 VanDerWaalsContact NE2-CD1 3.34Å; H1477-L1568 WeakPolarHBondContact NE2-CD1 3.12Å; Y1482-L1568 HydrophobicContact CE1-CD2 3.78Å; Y1482-L1568 WeakPolarHBondContact OH-CD2 3.47Å; F1486-L1568 HydrophobicContact CE1-CD2 4.49Å; F1486-L1568 HydrophobicContact CE2-CD1 4.45Å; F1486-L1568 HydrophobicContact CE2-CD2 4.06Å; F1486-L1568 HydrophobicContact CZ-CD1 4.04Å; F1486-L1568 HydrophobicContact CZ-CD2 3.9Å; F1493-L1568 HydrophobicContact CE1-CD2 3.91Å; F1493-L1568 HydrophobicContact CZ-CD2 4.25Å; S1564-L1568 VanDerWaalsContact O-CD1 3.3Å; S1564-L1568 WeakPolarHBondContact O-CD1 3.37Å; S1564-L1568 PolarHBondContact O-N 2.9Å; F1565-L1568 HydrophobicContact CB-CD1 4.35Å; F1565-L1568 HydrophobicContact CB-CG 4.23Å; F1565-L1568 HydrophobicContact CD1-CD1 4.3Å; F1565-L1568 CarbonylContact O-C 3.5Å; F1565-L1568 WeakPolarHBondContact O-CG 3.24Å; F1565-L1568 PolarHBondContact O-N 3.38Å; F1565-L1568 VanDerWaalsContact O-N 3.14Å; K1566-L1568 VanDerWaalsContact C-N 3.33Å; K1566-L1568 PolarHBondContact O-N 3.25Å; L1568-I1570 VanDerWaalsContact C-N 3.27Å; L1568-I1570 HydrophobicContact CB-CG1 4.4Å; L1568-I1570 HydrophobicContact CD2-CB 4.36Å; L1568-I1570 HydrophobicContact CD2-CD1 3.72Å; L1568-I1570 HydrophobicContact CD2-CG1 3.77Å; L1568-I1570 PolarHBondContact O-N 3.1Å; L1568-D1571 PolarHBondContact O-N 2.92Å; L1568-D1571 VanDerWaalsContact O-N 3.1Å; L1568-I1692 HydrophobicContact CD1-CG2 4.26Å |
| 1569 | P | 41.7 | Very low | 50.3 | Low | 70.6 Ų | 70.6 | 65.1 Ų | 65.1 | 46% | 0.458 | 33% | 0.331 | S | S | . | . | trans | -72.8 | 69.8 | 163.6 | 34.5 | -33 | 0 | 0 | 0 | 107.8 | L1485 F1486 Q1567 D1571 F1572 | L1485-P1569 HydrophobicContact CD1-CG 4.32Å; F1486-P1569 HydrophobicContact CB-CG 4.44Å; F1486-P1569 HydrophobicContact CD1-CG 3.84Å; F1486-P1569 HydrophobicContact CD2-CG 3.51Å; F1486-P1569 HydrophobicContact CE1-CG 3.84Å; F1486-P1569 HydrophobicContact CE2-CG 3.5Å; F1486-P1569 VanDerWaalsContact CE2-CG 3.5Å; F1486-P1569 HydrophobicContact CG-CG 3.67Å; F1486-P1569 VanDerWaalsContact CZ-CD 3.49Å; F1486-P1569 HydrophobicContact CZ-CG 3.67Å; Q1567-P1569 WeakPolarHBondContact O-CD 3.27Å; P1569-D1571 HydrophobicContact CB-CB 3.77Å; P1569-D1571 VanDerWaalsContact CB-OD1 3.24Å; P1569-D1571 WeakPolarHBondContact CB-OD1 3.35Å; P1569-D1571 WeakPolarHBondContact CB-OD2 3.33Å; P1569-D1571 HydrophobicContact CG-CB 3.94Å; P1569-D1571 VanDerWaalsContact CG-CG 3.43Å; P1569-D1571 WeakPolarHBondContact CG-OD2 2.91Å; P1569-D1571 PolarHBondContact O-N 3.3Å; P1569-F1572 HydrophobicContact CB-CB 4.31Å; P1569-F1572 HydrophobicContact CB-CD2 3.38Å; P1569-F1572 HydrophobicContact CB-CE2 4.1Å; P1569-F1572 HydrophobicContact CB-CG 4.26Å; P1569-F1572 HydrophobicContact CG-CB 4.37Å; P1569-F1572 HydrophobicContact CG-CD2 3.58Å; P1569-F1572 HydrophobicContact CG-CE2 4.42Å; P1569-F1572 HydrophobicContact CG-CG 4.46Å; P1569-F1572 PolarHBondContact O-N 3.16Å | ||
| 1570 | I | 43.4 | Very low | 48.5 | Very low | 44.4 Ų | 44.4 | 65 Ų | 65 | 23% | 0.228 | 34% | 0.335 | C | S | . | . | trans | -71.1 | 20.6 | 147.3 | -43.1 | 175.2 | 0 | 0 | 0 | 107.1 | F1486 F1493 F1565 L1568 F1572 N1573 V1574 V1631 P1696 | F1486-I1570 HydrophobicContact CD1-CG1 4.22Å; F1486-I1570 HydrophobicContact CE1-CG1 4.22Å; F1493-I1570 HydrophobicContact CD1-CD1 4.43Å; F1493-I1570 HydrophobicContact CE1-CD1 3.87Å; F1493-I1570 HydrophobicContact CE1-CG1 4.45Å; F1493-I1570 HydrophobicContact CE1-CG2 4.19Å; F1493-I1570 HydrophobicContact CZ-CD1 3.98Å; F1565-I1570 HydrophobicContact CB-CD1 3.64Å; F1565-I1570 HydrophobicContact CD2-CD1 4.31Å; F1565-I1570 HydrophobicContact CG-CD1 4.04Å; L1568-I1570 VanDerWaalsContact C-N 3.27Å; L1568-I1570 HydrophobicContact CB-CG1 4.4Å; L1568-I1570 HydrophobicContact CD2-CB 4.36Å; L1568-I1570 HydrophobicContact CD2-CD1 3.72Å; L1568-I1570 HydrophobicContact CD2-CG1 3.77Å; L1568-I1570 PolarHBondContact O-N 3.1Å; I1570-F1572 VanDerWaalsContact C-N 3.29Å; I1570-F1572 HydrophobicContact CB-CD2 3.87Å; I1570-F1572 HydrophobicContact CB-CE2 4.06Å; I1570-F1572 HydrophobicContact CB-CZ 4.25Å; I1570-F1572 HydrophobicContact CD1-CE2 4.28Å; I1570-F1572 HydrophobicContact CG2-CD1 4.29Å; I1570-F1572 HydrophobicContact CG2-CD2 3.92Å; I1570-F1572 VanDerWaalsContact CG2-CD2 3.45Å; I1570-F1572 HydrophobicContact CG2-CE1 3.89Å; I1570-F1572 HydrophobicContact CG2-CE2 3.79Å; I1570-F1572 HydrophobicContact CG2-CG 4.16Å; I1570-F1572 HydrophobicContact CG2-CZ 3.36Å; I1570-F1572 WeakPolarHBondContact O-CD2 3.41Å; I1570-F1572 PolarHBondContact O-N 3.26Å; I1570-N1573 PolarHBondContact O-N 2.97Å; I1570-V1574 HydrophobicContact CG2-CG2 4.32Å; I1570-V1574 WeakPolarHBondContact O-CG2 3.3Å; I1570-V1574 PolarHBondContact O-N 3.17Å; I1570-V1631 HydrophobicContact CG2-CG2 3.27Å; I1570-P1696 WeakPolarHBondContact O-CB 3.1Å; I1570-P1696 WeakPolarHBondContact O-CG 3.41Å | ||
| 1571 | D | 39.6 | Very low | 47 | Very low | 73.2 Ų | 73.2 | 67.2 Ų | 67.2 | 39% | 0.391 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -57.1 | 90.3 | 155.3 | -74.9 | -19.7 | 0 | 0 | 0 | 105.2 | L1568 P1569 N1573 V1574 Y1575 R1694 P1696 | L1568-D1571 PolarHBondContact O-N 2.92Å; L1568-D1571 VanDerWaalsContact O-N 3.1Å; P1569-D1571 HydrophobicContact CB-CB 3.77Å; P1569-D1571 VanDerWaalsContact CB-OD1 3.24Å; P1569-D1571 WeakPolarHBondContact CB-OD1 3.35Å; P1569-D1571 WeakPolarHBondContact CB-OD2 3.33Å; P1569-D1571 HydrophobicContact CG-CB 3.94Å; P1569-D1571 VanDerWaalsContact CG-CG 3.43Å; P1569-D1571 WeakPolarHBondContact CG-OD2 2.91Å; P1569-D1571 PolarHBondContact O-N 3.3Å; D1571-N1573 VanDerWaalsContact C-N 3.27Å; D1571-N1573 PolarHBondContact O-N 3.22Å; D1571-V1574 PolarHBondContact O-N 3.42Å; D1571-V1574 VanDerWaalsContact O-N 3.16Å; D1571-Y1575 VanDerWaalsContact CA-CD2 3.44Å; D1571-Y1575 HydrophobicContact CB-CD2 3.78Å; D1571-Y1575 HydrophobicContact CB-CE2 3.59Å; D1571-Y1575 WeakPolarHBondContact O-CD2 3.46Å; D1571-Y1575 PolarHBondContact O-N 3.4Å; D1571-Y1575 VanDerWaalsContact O-N 3.13Å; D1571-R1694 IonicContact OD1-NH1 3.2Å; D1571-R1694 PolarHBondContact OD1-NH1 3.39Å; D1571-R1694 VanDerWaalsContact OD1-NH1 3.12Å; D1571-P1696 HydrophobicContact CB-CB 4.12Å; D1571-P1696 HydrophobicContact CB-CG 4.48Å |
| 1572 | F | 38.4 | Very low | 45.5 | Very low | 86.6 Ų | 86.6 | 70.7 Ų | 70.7 | 38% | 0.38 | 36% | 0.364 | S | S | . | . | trans | -57.8 | 65.9 | 169.4 | -79.2 | -80.2 | 0 | 0 | 0 | 107.7 | P1569 I1570 V1574 Y1575 R1627 V1631 P1696 S1698 | P1569-F1572 HydrophobicContact CB-CB 4.31Å; P1569-F1572 HydrophobicContact CB-CD2 3.38Å; P1569-F1572 HydrophobicContact CB-CE2 4.1Å; P1569-F1572 HydrophobicContact CB-CG 4.26Å; P1569-F1572 HydrophobicContact CG-CB 4.37Å; P1569-F1572 HydrophobicContact CG-CD2 3.58Å; P1569-F1572 HydrophobicContact CG-CE2 4.42Å; P1569-F1572 HydrophobicContact CG-CG 4.46Å; P1569-F1572 PolarHBondContact O-N 3.16Å; I1570-F1572 VanDerWaalsContact C-N 3.29Å; I1570-F1572 HydrophobicContact CB-CD2 3.87Å; I1570-F1572 HydrophobicContact CB-CE2 4.06Å; I1570-F1572 HydrophobicContact CB-CZ 4.25Å; I1570-F1572 HydrophobicContact CD1-CE2 4.28Å; I1570-F1572 HydrophobicContact CG2-CD1 4.29Å; I1570-F1572 HydrophobicContact CG2-CD2 3.92Å; I1570-F1572 VanDerWaalsContact CG2-CD2 3.45Å; I1570-F1572 HydrophobicContact CG2-CE1 3.89Å; I1570-F1572 HydrophobicContact CG2-CE2 3.79Å; I1570-F1572 HydrophobicContact CG2-CG 4.16Å; I1570-F1572 HydrophobicContact CG2-CZ 3.36Å; I1570-F1572 WeakPolarHBondContact O-CD2 3.41Å; I1570-F1572 PolarHBondContact O-N 3.26Å; F1572-V1574 HydrophobicContact CB-CB 3.98Å; F1572-V1574 HydrophobicContact CB-CG2 4.12Å; F1572-V1574 HydrophobicContact CD1-CB 3.88Å; F1572-V1574 HydrophobicContact CD1-CG1 4.2Å; F1572-V1574 HydrophobicContact CD1-CG2 3.59Å; F1572-V1574 HydrophobicContact CE1-CG2 4.12Å; F1572-V1574 HydrophobicContact CG-CB 4.21Å; F1572-V1574 HydrophobicContact CG-CG2 4Å; F1572-V1574 PolarHBondContact O-N 3.29Å; F1572-Y1575 HydrophobicContact CB-CD2 3.95Å; F1572-Y1575 HydrophobicContact CB-CE2 3.48Å; F1572-Y1575 VanDerWaalsContact CB-CE2 3.48Å; F1572-Y1575 HydrophobicContact CG-CE2 4.15Å; F1572-Y1575 WeakPolarHBondContact O-CD2 3.43Å; F1572-R1627 HydrophobicContact CE1-CB 3.84Å; F1572-R1627 HydrophobicContact CZ-CB 4.13Å; F1572-V1631 HydrophobicContact CD1-CG2 3.69Å; F1572-V1631 VanDerWaalsContact CD1-CG2 3.41Å; F1572-V1631 HydrophobicContact CD2-CG2 4.45Å; F1572-V1631 HydrophobicContact CE1-CB 4.37Å; F1572-V1631 HydrophobicContact CE1-CG2 3.13Å; F1572-V1631 HydrophobicContact CE2-CB 4.06Å; F1572-V1631 HydrophobicContact CE2-CG1 4.25Å; F1572-V1631 HydrophobicContact CE2-CG2 3.86Å; F1572-V1631 VanDerWaalsContact CE2-CG2 3.47Å; F1572-V1631 HydrophobicContact CG-CG2 4.22Å; F1572-V1631 HydrophobicContact CZ-CB 4.43Å; F1572-V1631 HydrophobicContact CZ-CG2 3.5Å; F1572-P1696 HydrophobicContact CB-CG 4.25Å; F1572-P1696 HydrophobicContact CD2-CG 4.1Å; F1572-P1696 HydrophobicContact CG-CG 4.48Å; F1572-S1698 WeakPolarHBondContact O-CB 3.38Å | ||
| 1573 | N | 36.7 | Very low | 44.2 | Very low | 109.6 Ų | 109.6 | 77.7 Ų | 77.7 | 59% | 0.586 | 40% | 0.401 | S | S | * | . | trans | -65.4 | 30.5 | 155.6 | -72.7 | -18.3 | 0 | 0 | 0 | 108.6 | I1570 D1571 Y1575 R1627 P1699 | I1570-N1573 PolarHBondContact O-N 2.97Å; D1571-N1573 VanDerWaalsContact C-N 3.27Å; D1571-N1573 PolarHBondContact O-N 3.22Å; N1573-Y1575 VanDerWaalsContact C-N 3.34Å; N1573-Y1575 HydrophobicContact CB-CD2 4.21Å; N1573-Y1575 HydrophobicContact CB-CE2 4.02Å; N1573-Y1575 VanDerWaalsContact O-CD2 3.3Å; N1573-Y1575 WeakPolarHBondContact O-CD2 3.27Å; N1573-Y1575 PolarHBondContact O-N 3.22Å; N1573-R1627 PolarHBondContact O-NH1 3.44Å; N1573-P1699 WeakPolarHBondContact OD1-CD 3.38Å; N1573-P1699 WeakPolarHBondContact OD1-CG 3.47Å | ||
| 1574 | V | 36.5 | Very low | 43.2 | Very low | 40.6 Ų | 40.6 | 79.5 Ų | 79.5 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | trans | -59.1 | 20.6 | 170.3 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | I1570 D1571 F1572 L1576 F1624 R1627 V1631 | I1570-V1574 HydrophobicContact CG2-CG2 4.32Å; I1570-V1574 WeakPolarHBondContact O-CG2 3.3Å; I1570-V1574 PolarHBondContact O-N 3.17Å; D1571-V1574 PolarHBondContact O-N 3.42Å; D1571-V1574 VanDerWaalsContact O-N 3.16Å; F1572-V1574 HydrophobicContact CB-CB 3.98Å; F1572-V1574 HydrophobicContact CB-CG2 4.12Å; F1572-V1574 HydrophobicContact CD1-CB 3.88Å; F1572-V1574 HydrophobicContact CD1-CG1 4.2Å; F1572-V1574 HydrophobicContact CD1-CG2 3.59Å; F1572-V1574 HydrophobicContact CE1-CG2 4.12Å; F1572-V1574 HydrophobicContact CG-CB 4.21Å; F1572-V1574 HydrophobicContact CG-CG2 4Å; F1572-V1574 PolarHBondContact O-N 3.29Å; V1574-L1576 HydrophobicContact CG1-CB 4.19Å; V1574-L1576 HydrophobicContact CG1-CD1 3.32Å; V1574-L1576 HydrophobicContact CG1-CG 3.54Å; V1574-L1576 PolarHBondContact O-N 3.32Å; V1574-F1624 HydrophobicContact CG1-CD1 4.42Å; V1574-F1624 HydrophobicContact CG1-CE1 3.75Å; V1574-F1624 HydrophobicContact CG1-CZ 4.26Å; V1574-F1624 WeakPolarHBondContact O-CD1 3.28Å; V1574-F1624 WeakPolarHBondContact O-CE1 3.47Å; V1574-R1627 HydrophobicContact CB-CB 4.49Å; V1574-R1627 HydrophobicContact CG1-CB 3.95Å; V1574-R1627 VanDerWaalsContact CG1-CD 3.45Å; V1574-R1627 HydrophobicContact CG1-CG 4.31Å; V1574-R1627 HydrophobicContact CG2-CB 4.16Å; V1574-R1627 HydrophobicContact CG2-CG 4.18Å; V1574-R1627 WeakPolarHBondContact O-CD 3.4Å; V1574-V1631 HydrophobicContact CB-CG2 4.27Å; V1574-V1631 HydrophobicContact CG1-CG2 3.27Å | ||
| 1575 | Y | 37.9 | Very low | 42.3 | Very low | 84.2 Ų | 84.2 | 78.8 Ų | 78.8 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | trans | -93.8 | 53.6 | 171.7 | -65.9 | -72.9 | 0 | 0 | 0 | 110.7 | Y1482 D1571 F1572 N1573 S1577 V1631 P1696 I1712 P1714 P1715 L1717 | Y1482-Y1575 HydrophobicContact CE1-CE2 4.45Å; D1571-Y1575 VanDerWaalsContact CA-CD2 3.44Å; D1571-Y1575 HydrophobicContact CB-CD2 3.78Å; D1571-Y1575 HydrophobicContact CB-CE2 3.59Å; D1571-Y1575 WeakPolarHBondContact O-CD2 3.46Å; D1571-Y1575 PolarHBondContact O-N 3.4Å; D1571-Y1575 VanDerWaalsContact O-N 3.13Å; F1572-Y1575 HydrophobicContact CB-CD2 3.95Å; F1572-Y1575 HydrophobicContact CB-CE2 3.48Å; F1572-Y1575 VanDerWaalsContact CB-CE2 3.48Å; F1572-Y1575 HydrophobicContact CG-CE2 4.15Å; F1572-Y1575 WeakPolarHBondContact O-CD2 3.43Å; N1573-Y1575 VanDerWaalsContact C-N 3.34Å; N1573-Y1575 HydrophobicContact CB-CD2 4.21Å; N1573-Y1575 HydrophobicContact CB-CE2 4.02Å; N1573-Y1575 VanDerWaalsContact O-CD2 3.3Å; N1573-Y1575 WeakPolarHBondContact O-CD2 3.27Å; N1573-Y1575 PolarHBondContact O-N 3.22Å; Y1575-S1577 VanDerWaalsContact C-N 3.28Å; Y1575-S1577 PolarHBondContact O-N 3.13Å; Y1575-V1631 HydrophobicContact CE1-CG1 4.18Å; Y1575-V1631 HydrophobicContact CE1-CG2 4.13Å; Y1575-P1696 HydrophobicContact CD2-CG 3.81Å; Y1575-P1696 HydrophobicContact CE1-CG 4.48Å; Y1575-P1696 HydrophobicContact CE2-CB 4.35Å; Y1575-P1696 HydrophobicContact CE2-CG 3.82Å; Y1575-P1696 VanDerWaalsContact CE2-CG 3.42Å; Y1575-I1712 VanDerWaalsContact O-CG2 3.25Å; Y1575-I1712 WeakPolarHBondContact O-CG2 3.13Å; Y1575-P1714 HydrophobicContact CD2-CB 3.58Å; Y1575-P1714 HydrophobicContact CE2-CB 4.11Å; Y1575-P1714 HydrophobicContact CG-CB 4.01Å; Y1575-P1715 HydrophobicContact CD1-CB 4.26Å; Y1575-P1715 HydrophobicContact CD1-CG 3.18Å; Y1575-P1715 HydrophobicContact CD2-CG 3.56Å; Y1575-P1715 HydrophobicContact CE1-CB 4.46Å; Y1575-P1715 HydrophobicContact CE1-CG 3.38Å; Y1575-P1715 HydrophobicContact CE2-CG 4.02Å; Y1575-P1715 HydrophobicContact CG-CB 4.46Å; Y1575-P1715 HydrophobicContact CG-CG 3.58Å; Y1575-L1717 HydrophobicContact CE1-CD2 4.12Å | ||
| 1576 | L | 35.4 | Very low | 41.6 | Very low | 73.4 Ų | 73.4 | 80.9 Ų | 80.9 | 38% | 0.384 | 42% | 0.417 | S | S | . | . | trans | -54.9 | 102.6 | 163.4 | -78.5 | 157.9 | 0 | 0 | 0 | 108.6 | V1574 F1578 F1624 I1712 | V1574-L1576 HydrophobicContact CG1-CB 4.19Å; V1574-L1576 HydrophobicContact CG1-CD1 3.32Å; V1574-L1576 HydrophobicContact CG1-CG 3.54Å; V1574-L1576 PolarHBondContact O-N 3.32Å; L1576-F1578 VanDerWaalsContact C-N 3.27Å; L1576-F1578 HydrophobicContact CB-CD1 4.37Å; L1576-F1578 HydrophobicContact CB-CD2 3.78Å; L1576-F1578 VanDerWaalsContact CB-CD2 3.45Å; L1576-F1578 HydrophobicContact CB-CE1 4.13Å; L1576-F1578 HydrophobicContact CB-CE2 3.68Å; L1576-F1578 HydrophobicContact CB-CG 4.07Å; L1576-F1578 HydrophobicContact CB-CZ 4.01Å; L1576-F1578 HydrophobicContact CD1-CE1 4.14Å; L1576-F1578 HydrophobicContact CD1-CE2 3.85Å; L1576-F1578 HydrophobicContact CD1-CZ 3.74Å; L1576-F1578 HydrophobicContact CD2-CE1 4.28Å; L1576-F1578 HydrophobicContact CD2-CE2 4.06Å; L1576-F1578 HydrophobicContact CD2-CZ 4.11Å; L1576-F1578 HydrophobicContact CG-CE2 4.17Å; L1576-F1578 HydrophobicContact CG-CZ 4.26Å; L1576-F1578 VanDerWaalsContact O-CD2 3.25Å; L1576-F1578 WeakPolarHBondContact O-CD2 3.25Å; L1576-F1578 PolarHBondContact O-N 3.11Å; L1576-F1624 WeakPolarHBondContact O-CE1 3.49Å; L1576-F1624 WeakPolarHBondContact O-CZ 3.36Å; L1576-I1712 HydrophobicContact CB-CG2 4.46Å; L1576-I1712 HydrophobicContact CD1-CD1 4.37Å; L1576-I1712 HydrophobicContact CD2-CB 4.29Å; L1576-I1712 HydrophobicContact CD2-CD1 3.55Å; L1576-I1712 VanDerWaalsContact CD2-CD1 3.44Å; L1576-I1712 HydrophobicContact CD2-CG1 3.45Å; L1576-I1712 VanDerWaalsContact CD2-CG1 3.45Å; L1576-I1712 HydrophobicContact CD2-CG2 4.26Å; L1576-I1712 HydrophobicContact CG-CD1 3.83Å; L1576-I1712 HydrophobicContact CG-CG1 4.11Å; L1576-I1712 HydrophobicContact CG-CG2 3.83Å | ||
| 1577 | S | 34.7 | Very low | 41.6 | Very low | 59.2 Ų | 59.2 | 81.8 Ų | 81.8 | 41% | 0.414 | 43% | 0.433 | S | S | . | . | trans | -67.6 | 98.6 | 161.4 | 53.4 | 0 | 0 | 0 | 0 | 107.7 | Y1575 N1579 | Y1575-S1577 VanDerWaalsContact C-N 3.28Å; Y1575-S1577 PolarHBondContact O-N 3.13Å; S1577-N1579 PolarHBondContact O-N 3.34Å | ||
| 1578 | F | 36.4 | Very low | 41.4 | Very low | 83.6 Ų | 83.6 | 79.5 Ų | 79.5 | 37% | 0.367 | 43% | 0.429 | S | S | . | . | trans | -77.4 | 27.6 | 173.2 | -75.7 | -77.5 | 0 | 0 | 0 | 112 | L1576 C1580 L1591 Y1595 V1598 K1615 M1620 F1624 | L1576-F1578 VanDerWaalsContact C-N 3.27Å; L1576-F1578 HydrophobicContact CB-CD1 4.37Å; L1576-F1578 HydrophobicContact CB-CD2 3.78Å; L1576-F1578 VanDerWaalsContact CB-CD2 3.45Å; L1576-F1578 HydrophobicContact CB-CE1 4.13Å; L1576-F1578 HydrophobicContact CB-CE2 3.68Å; L1576-F1578 HydrophobicContact CB-CG 4.07Å; L1576-F1578 HydrophobicContact CB-CZ 4.01Å; L1576-F1578 HydrophobicContact CD1-CE1 4.14Å; L1576-F1578 HydrophobicContact CD1-CE2 3.85Å; L1576-F1578 HydrophobicContact CD1-CZ 3.74Å; L1576-F1578 HydrophobicContact CD2-CE1 4.28Å; L1576-F1578 HydrophobicContact CD2-CE2 4.06Å; L1576-F1578 HydrophobicContact CD2-CZ 4.11Å; L1576-F1578 HydrophobicContact CG-CE2 4.17Å; L1576-F1578 HydrophobicContact CG-CZ 4.26Å; L1576-F1578 VanDerWaalsContact O-CD2 3.25Å; L1576-F1578 WeakPolarHBondContact O-CD2 3.25Å; L1576-F1578 PolarHBondContact O-N 3.11Å; F1578-C1580 VanDerWaalsContact C-N 3.26Å; F1578-C1580 PolarHBondContact O-N 3.03Å; F1578-C1580 VanDerWaalsContact O-N 3.08Å; F1578-L1591 HydrophobicContact CE1-CD2 4.27Å; F1578-Y1595 AromaticContact CD1-CD1 3.6Å; F1578-Y1595 HydrophobicContact CD1-CD1 3.6Å; F1578-Y1595 AromaticContact CD1-CE1 3.62Å; F1578-Y1595 HydrophobicContact CD1-CE1 3.62Å; F1578-Y1595 WeakPolarHBondContact CD1-OH 3.22Å; F1578-Y1595 AromaticContact CE1-CD1 3.44Å; F1578-Y1595 HydrophobicContact CE1-CD1 3.44Å; F1578-Y1595 VanDerWaalsContact CE1-CD1 3.44Å; F1578-Y1595 AromaticContact CE1-CE1 3.42Å; F1578-Y1595 HydrophobicContact CE1-CE1 3.42Å; F1578-Y1595 VanDerWaalsContact CE1-CE1 3.42Å; F1578-Y1595 VanDerWaalsContact CE1-OH 3.29Å; F1578-Y1595 WeakPolarHBondContact CE1-OH 3.39Å; F1578-V1598 HydrophobicContact CE1-CG1 4.25Å; F1578-V1598 HydrophobicContact CE2-CG1 4.15Å; F1578-V1598 HydrophobicContact CZ-CG1 3.55Å; F1578-K1615 WeakPolarHBondContact O-CE 3.44Å; F1578-M1620 HydrophobicContact CD2-CE 4.29Å; F1578-M1620 HydrophobicContact CE2-CE 4.45Å; F1578-F1624 HydrophobicContact CB-CZ 4.17Å; F1578-F1624 HydrophobicContact CD2-CE2 4.2Å; F1578-F1624 AromaticContact CD2-CZ 3.9Å; F1578-F1624 HydrophobicContact CD2-CZ 3.9Å; F1578-F1624 VanDerWaalsContact N-CZ 3.34Å | ||
| 1579 | N | 36.4 | Very low | 41.5 | Very low | 120.4 Ų | 120.4 | 79 Ų | 79 | 64% | 0.644 | 43% | 0.428 | S | S | * | . | trans | -82 | 31.2 | 167.8 | -78.4 | 1.6 | 0 | 0 | 0 | 111.3 | S1577 E1581 S1617 | S1577-N1579 PolarHBondContact O-N 3.34Å; N1579-E1581 PolarHBondContact O-N 3.4Å; N1579-S1617 PolarHBondContact OD1-OG 2.87Å | ||
| 1580 | C | 39 | Very low | 41.7 | Very low | 37.6 Ų | 37.6 | 81 Ų | 81 | 25% | 0.254 | 43% | 0.427 | S | S | . | . | trans | -76.5 | 111.9 | 161.1 | -68.9 | 0 | 0 | 0 | 0 | 107.5 | F1578 N1582 I1585 K1615 | F1578-C1580 VanDerWaalsContact C-N 3.26Å; F1578-C1580 PolarHBondContact O-N 3.03Å; F1578-C1580 VanDerWaalsContact O-N 3.08Å; C1580-N1582 PolarHBondContact O-N 3.15Å; C1580-I1585 HydrophobicContact CB-CD1 4.41Å; C1580-I1585 HydrophobicContact CB-CG1 4.23Å; C1580-K1615 WeakPolarHBondContact O-CD 3.26Å; C1580-K1615 WeakPolarHBondContact O-CE 3.32Å; C1580-K1615 PolarHBondContact O-NZ 3.03Å | ||
| 1581 | E | 43.4 | Very low | 41.9 | Very low | 129.8 Ų | 129.8 | 81.3 Ų | 81.3 | 61% | 0.607 | 43% | 0.429 | S | S | * | . | trans | -54.7 | 130.4 | 162.7 | -67.6 | -175.4 | 164.1 | 0 | 0 | 108.3 | N1579 N1583 Q1584 | N1579-E1581 PolarHBondContact O-N 3.4Å; E1581-N1583 PolarHBondContact O-N 3.07Å; E1581-N1583 VanDerWaalsContact O-N 3.11Å; E1581-Q1584 HydrophobicContact CB-CG 4.44Å; E1581-Q1584 WeakPolarHBondContact O-CB 3.29Å; E1581-Q1584 PolarHBondContact O-N 3.1Å; E1581-Q1584 VanDerWaalsContact O-N 3.13Å | ||
| 1582 | N | 42.2 | Very low | 42.4 | Very low | 73.6 Ų | 73.6 | 79.4 Ų | 79.4 | 39% | 0.394 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -52.8 | -23.5 | -177.9 | -78.8 | -11.1 | 0 | 0 | 0 | 113.2 | C1580 Q1584 I1585 K1612 K1615 | C1580-N1582 PolarHBondContact O-N 3.15Å; N1582-Q1584 VanDerWaalsContact C-N 3.27Å; N1582-Q1584 PolarHBondContact O-N 3.29Å; N1582-I1585 PolarHBondContact O-N 3.18Å; N1582-I1585 VanDerWaalsContact O-N 3.17Å; N1582-K1612 WeakPolarHBondContact ND2-CG 3.21Å; N1582-K1615 WeakPolarHBondContact OD1-CD 3.34Å; N1582-K1615 WeakPolarHBondContact OD1-CE 3.37Å; N1582-K1615 PolarHBondContact OD1-NZ 3.09Å |
| 1583 | N | 47.3 | Very low | 43 | Very low | 149.6 Ų | 149.6 | 81.5 Ų | 81.5 | 80% | 0.8 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -67 | -19.1 | 180 | -59.5 | -9.3 | 0 | 0 | 0 | 113.4 | E1581 | E1581-N1583 PolarHBondContact O-N 3.07Å; E1581-N1583 VanDerWaalsContact O-N 3.11Å |
| 1584 | Q | 45.7 | Very low | 43.6 | Very low | 116.4 Ų | 116.4 | 78.6 Ų | 78.6 | 54% | 0.544 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -92 | -11.6 | 177.9 | -65.2 | -175.4 | -3.7 | 0 | 0 | 113.5 | E1581 N1582 P1586 | E1581-Q1584 HydrophobicContact CB-CG 4.44Å; E1581-Q1584 WeakPolarHBondContact O-CB 3.29Å; E1581-Q1584 PolarHBondContact O-N 3.1Å; E1581-Q1584 VanDerWaalsContact O-N 3.13Å; N1582-Q1584 VanDerWaalsContact C-N 3.27Å; N1582-Q1584 PolarHBondContact O-N 3.29Å; Q1584-P1586 VanDerWaalsContact O-CD 3.28Å; Q1584-P1586 WeakPolarHBondContact O-CD 3.27Å |
| 1585 | I | 46.5 | Very low | 44.4 | Very low | 32.6 Ų | 32.6 | 79.6 Ų | 79.6 | 17% | 0.167 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -87.6 | 114.4 | 178.4 | -57.7 | 174.7 | 0 | 0 | 0 | 107.7 | C1580 N1582 S1587 S1589 L1591 Y1595 | C1580-I1585 HydrophobicContact CB-CD1 4.41Å; C1580-I1585 HydrophobicContact CB-CG1 4.23Å; N1582-I1585 PolarHBondContact O-N 3.18Å; N1582-I1585 VanDerWaalsContact O-N 3.17Å; I1585-S1587 PolarHBondContact O-N 3.2Å; I1585-S1587 VanDerWaalsContact O-N 3.14Å; I1585-S1589 VanDerWaalsContact CG2-OG 3.24Å; I1585-S1589 WeakPolarHBondContact CG2-OG 3.39Å; I1585-L1591 HydrophobicContact CD1-CD2 4.26Å; I1585-L1591 HydrophobicContact CG2-CB 4.49Å; I1585-Y1595 HydrophobicContact CD1-CD2 4.19Å; I1585-Y1595 HydrophobicContact CD1-CE2 3.93Å |
| 1586 | P | 46.4 | Very low | 45.2 | Very low | 57.2 Ų | 57.2 | 78.5 Ų | 78.5 | 37% | 0.371 | 42% | 0.421 | S | S | . | . | trans | -58.3 | 134.9 | 178.9 | -21.4 | 32.7 | 0 | 0 | 0 | 110 | Q1584 T1588 S1589 S1592 D1708 | Q1584-P1586 VanDerWaalsContact O-CD 3.28Å; Q1584-P1586 WeakPolarHBondContact O-CD 3.27Å; P1586-T1588 PolarHBondContact O-N 3.03Å; P1586-T1588 VanDerWaalsContact O-N 3.1Å; P1586-S1589 VanDerWaalsContact O-CB 3.24Å; P1586-S1589 WeakPolarHBondContact O-CB 3.32Å; P1586-S1589 PolarHBondContact O-N 3.27Å; P1586-S1589 PolarHBondContact O-OG 3.16Å; P1586-S1592 WeakPolarHBondContact O-CB 3.45Å; P1586-D1708 HydrophobicContact CB-CB 3.63Å; P1586-D1708 HydrophobicContact CG-CB 3.61Å; P1586-D1708 WeakPolarHBondContact CG-O 3.34Å | ||
| 1587 | S | 52 | Low | 46 | Very low | 99.4 Ų | 99.4 | 80.4 Ų | 80.4 | 70% | 0.695 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.2 | -179.7 | 56 | 0 | 0 | 0 | 0 | 112.9 | I1585 S1589 S1592 | I1585-S1587 PolarHBondContact O-N 3.2Å; I1585-S1587 VanDerWaalsContact O-N 3.14Å; S1587-S1589 VanDerWaalsContact C-N 3.3Å; S1587-S1589 PolarHBondContact O-N 3.07Å; S1587-S1592 WeakPolarHBondContact O-CB 3.37Å; S1587-S1592 PolarHBondContact O-OG 3.05Å |
| 1588 | T | 45 | Very low | 46.7 | Very low | 98.2 Ų | 98.2 | 80.2 Ų | 80.2 | 60% | 0.602 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.3 | 176.9 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | P1586 R1706 D1708 | P1586-T1588 PolarHBondContact O-N 3.03Å; P1586-T1588 VanDerWaalsContact O-N 3.1Å; T1588-R1706 VanDerWaalsContact OG1-CZ 3.31Å; T1588-R1706 PolarHBondContact OG1-NH1 3.42Å; T1588-R1706 PolarHBondContact OG1-NH2 3.45Å; T1588-D1708 PolarHBondContact OG1-OD2 3.03Å |
| 1589 | S | 46 | Very low | 47.4 | Very low | 19.4 Ų | 19.4 | 79 Ų | 79 | 14% | 0.136 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -69.3 | 147.2 | -179.2 | 70 | 0 | 0 | 0 | 0 | 111.7 | I1585 P1586 S1587 L1591 S1592 K1593 | I1585-S1589 VanDerWaalsContact CG2-OG 3.24Å; I1585-S1589 WeakPolarHBondContact CG2-OG 3.39Å; P1586-S1589 VanDerWaalsContact O-CB 3.24Å; P1586-S1589 WeakPolarHBondContact O-CB 3.32Å; P1586-S1589 PolarHBondContact O-N 3.27Å; P1586-S1589 PolarHBondContact O-OG 3.16Å; S1587-S1589 VanDerWaalsContact C-N 3.3Å; S1587-S1589 PolarHBondContact O-N 3.07Å; S1589-L1591 PolarHBondContact O-N 3.31Å; S1589-S1592 VanDerWaalsContact O-CB 3.29Å; S1589-S1592 WeakPolarHBondContact O-CB 3.27Å; S1589-S1592 PolarHBondContact O-N 2.99Å; S1589-S1592 VanDerWaalsContact O-N 3.15Å; S1589-S1592 VanDerWaalsContact OG-CB 3.27Å; S1589-S1592 WeakPolarHBondContact OG-CB 3.36Å; S1589-S1592 PolarHBondContact OG-N 3.05Å; S1589-S1592 VanDerWaalsContact OG-N 3.13Å; S1589-K1593 PolarHBondContact O-N 3.23Å; S1589-K1593 VanDerWaalsContact O-N 3.14Å |
| 1590 | W | 47.2 | Very low | 48.2 | Very low | 111.8 Ų | 111.8 | 82 Ų | 82 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.4 | -33.2 | 173.4 | 94.8 | -75 | 0 | 0 | 0 | 111.9 | S1592 K1593 V1594 W1705 R1706 L1707 D1708 | W1590-S1592 VanDerWaalsContact C-N 3.31Å; W1590-S1592 PolarHBondContact O-N 2.88Å; W1590-K1593 CarbonylContact O-C 3.46Å; W1590-K1593 WeakPolarHBondContact O-CA 3.49Å; W1590-K1593 WeakPolarHBondContact O-CB 3.39Å; W1590-K1593 PolarHBondContact O-N 3.16Å; W1590-K1593 VanDerWaalsContact O-N 3.08Å; W1590-V1594 HydrophobicContact CD2-CG2 4.13Å; W1590-V1594 HydrophobicContact CE3-CB 4.38Å; W1590-V1594 HydrophobicContact CE3-CG2 3.6Å; W1590-V1594 VanDerWaalsContact CE3-CG2 3.45Å; W1590-V1594 HydrophobicContact CH2-CG2 4.08Å; W1590-V1594 HydrophobicContact CZ2-CG2 3.72Å; W1590-V1594 HydrophobicContact CZ3-CB 4.47Å; W1590-V1594 HydrophobicContact CZ3-CG2 3.72Å; W1590-V1594 VanDerWaalsContact CZ3-CG2 3.47Å; W1590-V1594 WeakPolarHBondContact O-CB 3.37Å; W1590-V1594 WeakPolarHBondContact O-CG2 3.34Å; W1590-V1594 PolarHBondContact O-N 3.24Å; W1590-W1705 HydrophobicContact CZ2-CZ3 4.48Å; W1590-W1705 AromaticContact NE1-CD2 3.8Å; W1590-W1705 AromaticContact NE1-CE2 3.91Å; W1590-W1705 AromaticContact NE1-CG 4Å; W1590-R1706 HydrophobicContact CB-CG 4.34Å; W1590-L1707 VanDerWaalsContact CD1-CB 3.48Å; W1590-L1707 PolarHBondContact NE1-O 3.36Å; W1590-L1707 VanDerWaalsContact NE1-O 3.12Å; W1590-D1708 HydrophobicContact CZ2-CB 4.39Å; W1590-D1708 WeakPolarHBondContact CZ2-OD1 3.33Å; W1590-D1708 PolarHBondContact NE1-OD1 3.5Å; W1590-D1708 VanDerWaalsContact NE1-OD1 3.1Å |
| 1591 | L | 46.3 | Very low | 48.8 | Very low | 50.2 Ų | 50.2 | 83.4 Ų | 83.4 | 26% | 0.263 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65 | -41 | 178.2 | -156.9 | 78.4 | 0 | 0 | 0 | 110.7 | F1578 I1585 S1589 K1593 V1594 Y1595 | F1578-L1591 HydrophobicContact CE1-CD2 4.27Å; I1585-L1591 HydrophobicContact CD1-CD2 4.26Å; I1585-L1591 HydrophobicContact CG2-CB 4.49Å; S1589-L1591 PolarHBondContact O-N 3.31Å; L1591-K1593 VanDerWaalsContact C-N 3.32Å; L1591-K1593 PolarHBondContact O-N 3Å; L1591-V1594 PolarHBondContact O-N 3.21Å; L1591-V1594 VanDerWaalsContact O-N 3.14Å; L1591-Y1595 HydrophobicContact CD1-CE2 4.23Å; L1591-Y1595 HydrophobicContact CD2-CD2 4.34Å; L1591-Y1595 HydrophobicContact CD2-CE2 3.65Å; L1591-Y1595 HydrophobicContact CG-CD2 4.01Å; L1591-Y1595 HydrophobicContact CG-CE2 3.6Å; L1591-Y1595 VanDerWaalsContact O-CB 3.31Å; L1591-Y1595 WeakPolarHBondContact O-CB 3.23Å; L1591-Y1595 WeakPolarHBondContact O-CD2 3.23Å; L1591-Y1595 PolarHBondContact O-N 3.19Å |
| 1592 | S | 51.3 | Low | 49.1 | Very low | 33.8 Ų | 33.8 | 79.5 Ų | 79.5 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 169.5 | 157.4 | 0 | 0 | 0 | 0 | 111.7 | P1586 S1587 S1589 W1590 Y1595 S1596 | P1586-S1592 WeakPolarHBondContact O-CB 3.45Å; S1587-S1592 WeakPolarHBondContact O-CB 3.37Å; S1587-S1592 PolarHBondContact O-OG 3.05Å; S1589-S1592 VanDerWaalsContact O-CB 3.29Å; S1589-S1592 WeakPolarHBondContact O-CB 3.27Å; S1589-S1592 PolarHBondContact O-N 2.99Å; S1589-S1592 VanDerWaalsContact O-N 3.15Å; S1589-S1592 VanDerWaalsContact OG-CB 3.27Å; S1589-S1592 WeakPolarHBondContact OG-CB 3.36Å; S1589-S1592 PolarHBondContact OG-N 3.05Å; S1589-S1592 VanDerWaalsContact OG-N 3.13Å; W1590-S1592 VanDerWaalsContact C-N 3.31Å; W1590-S1592 PolarHBondContact O-N 2.88Å; S1592-Y1595 CarbonylContact O-C 3.46Å; S1592-Y1595 PolarHBondContact O-N 2.96Å; S1592-S1596 VanDerWaalsContact O-CB 3.29Å; S1592-S1596 WeakPolarHBondContact O-CB 3.35Å; S1592-S1596 PolarHBondContact O-N 3.14Å; S1592-S1596 PolarHBondContact O-OG 3.41Å |
| 1593 | K | 50.8 | Low | 49.8 | Very low | 130.6 Ų | 130.6 | 81.2 Ų | 81.2 | 57% | 0.568 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 176.1 | -74.9 | -175.7 | 177.8 | 179.9 | 0 | 112.7 | S1589 W1590 L1591 Y1595 S1596 E1597 | S1589-K1593 PolarHBondContact O-N 3.23Å; S1589-K1593 VanDerWaalsContact O-N 3.14Å; W1590-K1593 CarbonylContact O-C 3.46Å; W1590-K1593 WeakPolarHBondContact O-CA 3.49Å; W1590-K1593 WeakPolarHBondContact O-CB 3.39Å; W1590-K1593 PolarHBondContact O-N 3.16Å; W1590-K1593 VanDerWaalsContact O-N 3.08Å; L1591-K1593 VanDerWaalsContact C-N 3.32Å; L1591-K1593 PolarHBondContact O-N 3Å; K1593-Y1595 VanDerWaalsContact C-N 3.32Å; K1593-S1596 WeakPolarHBondContact CA-OG 3.37Å; K1593-S1596 CarbonylContact O-C 3.5Å; K1593-S1596 WeakPolarHBondContact O-CA 3.28Å; K1593-S1596 WeakPolarHBondContact O-CB 2.91Å; K1593-S1596 PolarHBondContact O-N 3.2Å; K1593-S1596 VanDerWaalsContact O-N 3.13Å; K1593-S1596 PolarHBondContact O-OG 3.04Å; K1593-E1597 WeakPolarHBondContact O-CB 3.29Å; K1593-E1597 WeakPolarHBondContact O-CG 3.39Å; K1593-E1597 PolarHBondContact O-N 3.11Å |
| 1594 | V | 48.8 | Very low | 50.4 | Low | 48.8 Ų | 48.8 | 79.3 Ų | 79.3 | 30% | 0.296 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 174.9 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | W1590 L1591 S1596 E1597 V1598 | W1590-V1594 HydrophobicContact CD2-CG2 4.13Å; W1590-V1594 HydrophobicContact CE3-CB 4.38Å; W1590-V1594 HydrophobicContact CE3-CG2 3.6Å; W1590-V1594 VanDerWaalsContact CE3-CG2 3.45Å; W1590-V1594 HydrophobicContact CH2-CG2 4.08Å; W1590-V1594 HydrophobicContact CZ2-CG2 3.72Å; W1590-V1594 HydrophobicContact CZ3-CB 4.47Å; W1590-V1594 HydrophobicContact CZ3-CG2 3.72Å; W1590-V1594 VanDerWaalsContact CZ3-CG2 3.47Å; W1590-V1594 WeakPolarHBondContact O-CB 3.37Å; W1590-V1594 WeakPolarHBondContact O-CG2 3.34Å; W1590-V1594 PolarHBondContact O-N 3.24Å; L1591-V1594 PolarHBondContact O-N 3.21Å; L1591-V1594 VanDerWaalsContact O-N 3.14Å; V1594-S1596 VanDerWaalsContact C-N 3.29Å; V1594-S1596 PolarHBondContact O-N 3.11Å; V1594-E1597 PolarHBondContact O-N 3.21Å; V1594-E1597 VanDerWaalsContact O-N 3.17Å; V1594-V1598 HydrophobicContact CG1-CG2 4.1Å; V1594-V1598 VanDerWaalsContact O-CB 3.27Å; V1594-V1598 WeakPolarHBondContact O-CB 3.22Å; V1594-V1598 VanDerWaalsContact O-CG2 3.29Å; V1594-V1598 WeakPolarHBondContact O-CG2 3.31Å; V1594-V1598 PolarHBondContact O-N 3.03Å |
| 1595 | Y | 52.8 | Low | 50.5 | Low | 61 Ų | 61 | 81 Ų | 81 | 24% | 0.239 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 173.9 | -77.3 | -54.4 | 0 | 0 | 0 | 112 | F1578 I1585 L1591 S1592 K1593 N1599 V1611 | F1578-Y1595 AromaticContact CD1-CD1 3.6Å; F1578-Y1595 HydrophobicContact CD1-CD1 3.6Å; F1578-Y1595 AromaticContact CD1-CE1 3.62Å; F1578-Y1595 HydrophobicContact CD1-CE1 3.62Å; F1578-Y1595 WeakPolarHBondContact CD1-OH 3.22Å; F1578-Y1595 AromaticContact CE1-CD1 3.44Å; F1578-Y1595 HydrophobicContact CE1-CD1 3.44Å; F1578-Y1595 VanDerWaalsContact CE1-CD1 3.44Å; F1578-Y1595 AromaticContact CE1-CE1 3.42Å; F1578-Y1595 HydrophobicContact CE1-CE1 3.42Å; F1578-Y1595 VanDerWaalsContact CE1-CE1 3.42Å; F1578-Y1595 VanDerWaalsContact CE1-OH 3.29Å; F1578-Y1595 WeakPolarHBondContact CE1-OH 3.39Å; I1585-Y1595 HydrophobicContact CD1-CD2 4.19Å; I1585-Y1595 HydrophobicContact CD1-CE2 3.93Å; L1591-Y1595 HydrophobicContact CD1-CE2 4.23Å; L1591-Y1595 HydrophobicContact CD2-CD2 4.34Å; L1591-Y1595 HydrophobicContact CD2-CE2 3.65Å; L1591-Y1595 HydrophobicContact CG-CD2 4.01Å; L1591-Y1595 HydrophobicContact CG-CE2 3.6Å; L1591-Y1595 VanDerWaalsContact O-CB 3.31Å; L1591-Y1595 WeakPolarHBondContact O-CB 3.23Å; L1591-Y1595 WeakPolarHBondContact O-CD2 3.23Å; L1591-Y1595 PolarHBondContact O-N 3.19Å; S1592-Y1595 CarbonylContact O-C 3.46Å; S1592-Y1595 PolarHBondContact O-N 2.96Å; K1593-Y1595 VanDerWaalsContact C-N 3.32Å; Y1595-N1599 VanDerWaalsContact O-CB 3.22Å; Y1595-N1599 WeakPolarHBondContact O-CB 3.35Å; Y1595-N1599 PolarHBondContact O-N 3.17Å; Y1595-V1611 HydrophobicContact CD1-CB 4.46Å; Y1595-V1611 HydrophobicContact CD1-CG1 3.74Å; Y1595-V1611 HydrophobicContact CD1-CG2 4.27Å; Y1595-V1611 HydrophobicContact CD2-CG1 4.35Å; Y1595-V1611 HydrophobicContact CE1-CG1 3.83Å; Y1595-V1611 HydrophobicContact CG-CG1 3.8Å |
| 1596 | S | 55.2 | Low | 50.7 | Low | 62.4 Ų | 62.4 | 88.2 Ų | 88.2 | 44% | 0.436 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69 | -37.5 | 176.1 | 81.2 | 0 | 0 | 0 | 0 | 112.3 | S1592 K1593 V1594 R1600 | S1592-S1596 VanDerWaalsContact O-CB 3.29Å; S1592-S1596 WeakPolarHBondContact O-CB 3.35Å; S1592-S1596 PolarHBondContact O-N 3.14Å; S1592-S1596 PolarHBondContact O-OG 3.41Å; K1593-S1596 WeakPolarHBondContact CA-OG 3.37Å; K1593-S1596 CarbonylContact O-C 3.5Å; K1593-S1596 WeakPolarHBondContact O-CA 3.28Å; K1593-S1596 WeakPolarHBondContact O-CB 2.91Å; K1593-S1596 PolarHBondContact O-N 3.2Å; K1593-S1596 VanDerWaalsContact O-N 3.13Å; K1593-S1596 PolarHBondContact O-OG 3.04Å; V1594-S1596 VanDerWaalsContact C-N 3.29Å; V1594-S1596 PolarHBondContact O-N 3.11Å; S1596-R1600 WeakPolarHBondContact O-CA 3.14Å; S1596-R1600 WeakPolarHBondContact O-CB 3.35Å; S1596-R1600 WeakPolarHBondContact O-CG 3.3Å; S1596-R1600 PolarHBondContact O-N 2.97Å |
| 1597 | E | 52.2 | Low | 50.5 | Low | 113.2 Ų | 113.2 | 87.9 Ų | 87.9 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -73.6 | -37.4 | 176.4 | -78.4 | -144.7 | 173.7 | 0 | 0 | 112 | K1593 V1594 R1600 C1601 | K1593-E1597 WeakPolarHBondContact O-CB 3.29Å; K1593-E1597 WeakPolarHBondContact O-CG 3.39Å; K1593-E1597 PolarHBondContact O-N 3.11Å; V1594-E1597 PolarHBondContact O-N 3.21Å; V1594-E1597 VanDerWaalsContact O-N 3.17Å; E1597-R1600 PolarHBondContact O-N 3.08Å; E1597-C1601 VanDerWaalsContact O-CB 3.26Å; E1597-C1601 WeakPolarHBondContact O-CB 3.4Å; E1597-C1601 PolarHBondContact O-N 3.17Å; E1597-C1601 PolarHBondContact O-SG 3.34Å; E1597-C1601 VanDerWaalsContact O-SG 3.35Å |
| 1598 | V | 50.1 | Low | 50.3 | Low | 55.4 Ų | 55.4 | 88.6 Ų | 88.6 | 34% | 0.336 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -47.6 | 172.4 | 170.5 | 0 | 0 | 0 | 0 | 109.3 | F1578 V1594 R1600 C1601 L1602 | F1578-V1598 HydrophobicContact CE1-CG1 4.25Å; F1578-V1598 HydrophobicContact CE2-CG1 4.15Å; F1578-V1598 HydrophobicContact CZ-CG1 3.55Å; V1594-V1598 HydrophobicContact CG1-CG2 4.1Å; V1594-V1598 VanDerWaalsContact O-CB 3.27Å; V1594-V1598 WeakPolarHBondContact O-CB 3.22Å; V1594-V1598 VanDerWaalsContact O-CG2 3.29Å; V1594-V1598 WeakPolarHBondContact O-CG2 3.31Å; V1594-V1598 PolarHBondContact O-N 3.03Å; V1598-R1600 VanDerWaalsContact C-N 3.32Å; V1598-R1600 PolarHBondContact O-N 3.13Å; V1598-C1601 PolarHBondContact O-N 3.33Å; V1598-L1602 HydrophobicContact CG1-CD1 3.72Å; V1598-L1602 HydrophobicContact CG1-CG 4.28Å; V1598-L1602 VanDerWaalsContact O-CB 3.3Å; V1598-L1602 WeakPolarHBondContact O-CB 3.19Å; V1598-L1602 WeakPolarHBondContact O-CG 3.32Å; V1598-L1602 PolarHBondContact O-N 2.95Å |
| 1599 | N | 51.5 | Low | 50.4 | Low | 57.4 Ų | 57.4 | 86.8 Ų | 86.8 | 31% | 0.307 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 173 | -85.4 | 0.3 | 0 | 0 | 0 | 111.1 | Y1595 C1601 L1602 D1603 V1611 | Y1595-N1599 VanDerWaalsContact O-CB 3.22Å; Y1595-N1599 WeakPolarHBondContact O-CB 3.35Å; Y1595-N1599 PolarHBondContact O-N 3.17Å; N1599-C1601 VanDerWaalsContact C-N 3.33Å; N1599-C1601 PolarHBondContact O-N 3.09Å; N1599-L1602 CarbonylContact O-C 3.56Å; N1599-L1602 PolarHBondContact O-N 3.22Å; N1599-L1602 VanDerWaalsContact O-N 3.11Å; N1599-D1603 WeakPolarHBondContact O-CB 3.37Å; N1599-D1603 VanDerWaalsContact O-CG 3.29Å; N1599-D1603 PolarHBondContact O-N 3.25Å; N1599-V1611 WeakPolarHBondContact OD1-CG2 3.38Å |
| 1600 | R | 52.8 | Low | 50.6 | Low | 182.8 Ų | 182.8 | 90.1 Ų | 90.1 | 69% | 0.69 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.9 | -39.5 | 178 | -152.7 | -179.9 | -174.5 | 165.8 | 2.7 | 112.2 | S1596 E1597 V1598 D1603 V1604 | S1596-R1600 WeakPolarHBondContact O-CA 3.14Å; S1596-R1600 WeakPolarHBondContact O-CB 3.35Å; S1596-R1600 WeakPolarHBondContact O-CG 3.3Å; S1596-R1600 PolarHBondContact O-N 2.97Å; E1597-R1600 PolarHBondContact O-N 3.08Å; V1598-R1600 VanDerWaalsContact C-N 3.32Å; V1598-R1600 PolarHBondContact O-N 3.13Å; R1600-D1603 PolarHBondContact O-N 3.01Å; R1600-V1604 VanDerWaalsContact O-CB 3.31Å; R1600-V1604 WeakPolarHBondContact O-CB 3.31Å; R1600-V1604 WeakPolarHBondContact O-CG2 3.29Å; R1600-V1604 PolarHBondContact O-N 3.18Å |
| 1601 | C | 50.6 | Low | 50.6 | Low | 68.2 Ų | 68.2 | 85.6 Ų | 85.6 | 46% | 0.461 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 173.9 | -96 | 0 | 0 | 0 | 0 | 110.5 | E1597 V1598 N1599 D1603 V1604 F1605 | E1597-C1601 VanDerWaalsContact O-CB 3.26Å; E1597-C1601 WeakPolarHBondContact O-CB 3.4Å; E1597-C1601 PolarHBondContact O-N 3.17Å; E1597-C1601 PolarHBondContact O-SG 3.34Å; E1597-C1601 VanDerWaalsContact O-SG 3.35Å; V1598-C1601 PolarHBondContact O-N 3.33Å; N1599-C1601 VanDerWaalsContact C-N 3.33Å; N1599-C1601 PolarHBondContact O-N 3.09Å; C1601-D1603 VanDerWaalsContact C-N 3.33Å; C1601-D1603 PolarHBondContact O-N 3.32Å; C1601-V1604 WeakPolarHBondContact O-CB 3.16Å; C1601-V1604 PolarHBondContact O-N 3.23Å; C1601-F1605 HydrophobicContact CB-CD2 4.46Å; C1601-F1605 HydrophobicContact CB-CE2 4.47Å; C1601-F1605 WeakPolarHBondContact O-CB 3.46Å; C1601-F1605 WeakPolarHBondContact O-CD2 3.41Å; C1601-F1605 PolarHBondContact O-N 3.27Å |
| 1602 | L | 50.8 | Low | 50.7 | Low | 46.8 Ų | 46.8 | 89.4 Ų | 89.4 | 25% | 0.245 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.6 | -69.6 | 169.9 | 0 | 0 | 0 | 111.3 | V1598 N1599 F1605 Q1606 C1607 F1609 V1611 | V1598-L1602 HydrophobicContact CG1-CD1 3.72Å; V1598-L1602 HydrophobicContact CG1-CG 4.28Å; V1598-L1602 VanDerWaalsContact O-CB 3.3Å; V1598-L1602 WeakPolarHBondContact O-CB 3.19Å; V1598-L1602 WeakPolarHBondContact O-CG 3.32Å; V1598-L1602 PolarHBondContact O-N 2.95Å; N1599-L1602 CarbonylContact O-C 3.56Å; N1599-L1602 PolarHBondContact O-N 3.22Å; N1599-L1602 VanDerWaalsContact O-N 3.11Å; L1602-F1605 CarbonylContact O-C 3.54Å; L1602-F1605 WeakPolarHBondContact O-CA 3.4Å; L1602-F1605 PolarHBondContact O-N 2.99Å; L1602-F1605 VanDerWaalsContact O-N 3.15Å; L1602-Q1606 PolarHBondContact O-N 3.14Å; L1602-Q1606 VanDerWaalsContact O-N 3.1Å; L1602-C1607 CarbonylContact C-O 3.56Å; L1602-C1607 HydrophobicContact CB-CB 4.38Å; L1602-C1607 WeakPolarHBondContact CB-O 3Å; L1602-C1607 HydrophobicContact CD2-CB 4.07Å; L1602-C1607 PolarHBondContact O-N 3.14Å; L1602-F1609 HydrophobicContact CD1-CB 4.16Å; L1602-F1609 HydrophobicContact CD1-CD1 4.3Å; L1602-F1609 HydrophobicContact CD1-CG 4.44Å; L1602-V1611 HydrophobicContact CD1-CG2 3.91Å |
| 1603 | D | 56.9 | Low | 50.6 | Low | 110.2 Ų | 110.2 | 91.6 Ų | 91.6 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 173.5 | -71.8 | -22.8 | 0 | 0 | 0 | 111.5 | N1599 R1600 C1601 F1605 Q1606 | N1599-D1603 WeakPolarHBondContact O-CB 3.37Å; N1599-D1603 VanDerWaalsContact O-CG 3.29Å; N1599-D1603 PolarHBondContact O-N 3.25Å; R1600-D1603 PolarHBondContact O-N 3.01Å; C1601-D1603 VanDerWaalsContact C-N 3.33Å; C1601-D1603 PolarHBondContact O-N 3.32Å; D1603-F1605 VanDerWaalsContact C-N 3.31Å; D1603-F1605 PolarHBondContact O-N 3.21Å; D1603-Q1606 WeakPolarHBondContact O-CA 3.41Å; D1603-Q1606 PolarHBondContact O-N 3.07Å; D1603-Q1606 VanDerWaalsContact O-N 3.16Å |
| 1604 | V | 59.3 | Low | 50.3 | Low | 109.8 Ų | 109.8 | 88.8 Ų | 88.8 | 67% | 0.665 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.2 | -35.8 | 175.6 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | R1600 C1601 Q1606 | R1600-V1604 VanDerWaalsContact O-CB 3.31Å; R1600-V1604 WeakPolarHBondContact O-CB 3.31Å; R1600-V1604 WeakPolarHBondContact O-CG2 3.29Å; R1600-V1604 PolarHBondContact O-N 3.18Å; C1601-V1604 WeakPolarHBondContact O-CB 3.16Å; C1601-V1604 PolarHBondContact O-N 3.23Å; V1604-Q1606 VanDerWaalsContact C-N 3.27Å; V1604-Q1606 PolarHBondContact O-N 3.08Å |
| 1605 | F | 48.4 | Very low | 50.1 | Low | 151.8 Ų | 151.8 | 88.7 Ų | 88.7 | 67% | 0.666 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 9.1 | 174.8 | -70.7 | -64.5 | 0 | 0 | 0 | 113.8 | C1601 L1602 D1603 C1607 | C1601-F1605 HydrophobicContact CB-CD2 4.46Å; C1601-F1605 HydrophobicContact CB-CE2 4.47Å; C1601-F1605 WeakPolarHBondContact O-CB 3.46Å; C1601-F1605 WeakPolarHBondContact O-CD2 3.41Å; C1601-F1605 PolarHBondContact O-N 3.27Å; L1602-F1605 CarbonylContact O-C 3.54Å; L1602-F1605 WeakPolarHBondContact O-CA 3.4Å; L1602-F1605 PolarHBondContact O-N 2.99Å; L1602-F1605 VanDerWaalsContact O-N 3.15Å; D1603-F1605 VanDerWaalsContact C-N 3.31Å; D1603-F1605 PolarHBondContact O-N 3.21Å; F1605-C1607 PolarHBondContact O-N 3.24Å; F1605-C1607 VanDerWaalsContact O-N 3.09Å |
| 1606 | Q | 49.3 | Very low | 49.6 | Very low | 182.8 Ų | 182.8 | 92.5 Ų | 92.5 | 85% | 0.854 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 27.1 | -177.3 | -59.6 | -177.4 | -6.1 | 0 | 0 | 114 | L1602 D1603 V1604 S1608 | L1602-Q1606 PolarHBondContact O-N 3.14Å; L1602-Q1606 VanDerWaalsContact O-N 3.1Å; D1603-Q1606 WeakPolarHBondContact O-CA 3.41Å; D1603-Q1606 PolarHBondContact O-N 3.07Å; D1603-Q1606 VanDerWaalsContact O-N 3.16Å; V1604-Q1606 VanDerWaalsContact C-N 3.27Å; V1604-Q1606 PolarHBondContact O-N 3.08Å; Q1606-S1608 PolarHBondContact O-N 2.92Å |
| 1607 | C | 43.3 | Very low | 49.2 | Very low | 51 Ų | 51 | 90.8 Ų | 90.8 | 35% | 0.345 | 47% | 0.472 | S | S | . | . | trans | -89 | 103.2 | 172.9 | -99.6 | 0 | 0 | 0 | 0 | 109.1 | L1602 F1605 F1609 | L1602-C1607 CarbonylContact C-O 3.56Å; L1602-C1607 HydrophobicContact CB-CB 4.38Å; L1602-C1607 WeakPolarHBondContact CB-O 3Å; L1602-C1607 HydrophobicContact CD2-CB 4.07Å; L1602-C1607 PolarHBondContact O-N 3.14Å; F1605-C1607 PolarHBondContact O-N 3.24Å; F1605-C1607 VanDerWaalsContact O-N 3.09Å; C1607-F1609 VanDerWaalsContact C-N 3.3Å; C1607-F1609 PolarHBondContact O-N 3.09Å | ||
| 1608 | S | 47.5 | Very low | 49.2 | Very low | 114.6 Ų | 114.6 | 90.9 Ų | 90.9 | 80% | 0.801 | 48% | 0.476 | S | S | * | . | trans | -71.4 | 68.6 | 173.2 | 59.4 | 0 | 0 | 0 | 0 | 111.2 | Q1606 | Q1606-S1608 PolarHBondContact O-N 2.92Š| ||
| 1609 | F | 48.3 | Very low | 49.2 | Very low | 61.8 Ų | 61.8 | 91.9 Ų | 91.9 | 27% | 0.271 | 48% | 0.479 | S | S | . | . | trans | -106.5 | 109.7 | -179.9 | -154.3 | -87.2 | 0 | 0 | 0 | 109.9 | N1088 L1089 L1602 C1607 V1611 L1614 | N1088-F1609 HydrophobicContact CB-CZ 4.07Å; N1088-F1609 WeakPolarHBondContact O-CE2 3.46Å; N1088-F1609 WeakPolarHBondContact O-CZ 3.49Å; L1089-F1609 HydrophobicContact CD2-CD2 4.01Å; L1089-F1609 HydrophobicContact CD2-CE2 3.75Å; L1089-F1609 HydrophobicContact CG-CE2 4.1Å; L1602-F1609 HydrophobicContact CD1-CB 4.16Å; L1602-F1609 HydrophobicContact CD1-CD1 4.3Å; L1602-F1609 HydrophobicContact CD1-CG 4.44Å; C1607-F1609 VanDerWaalsContact C-N 3.3Å; C1607-F1609 PolarHBondContact O-N 3.09Å; F1609-V1611 HydrophobicContact CD1-CG2 4.37Å; F1609-V1611 HydrophobicContact CE1-CG2 4.45Å; F1609-V1611 PolarHBondContact O-N 3.2Å; F1609-L1614 HydrophobicContact CD1-CD1 4.49Å; F1609-L1614 HydrophobicContact CE1-CD1 3.84Å; F1609-L1614 HydrophobicContact CE1-CG 4.39Å; F1609-L1614 HydrophobicContact CZ-CD1 4.22Å; F1609-L1614 HydrophobicContact CZ-CG 4.49Å | ||
| 1610 | D | 50 | Low | 49.1 | Very low | 87.6 Ų | 87.6 | 91.4 Ų | 91.4 | 47% | 0.468 | 48% | 0.475 | S | S | . | . | trans | -80 | 108.8 | 174.1 | -171 | -4.6 | 0 | 0 | 0 | 109.4 | K1612 T1613 | D1610-K1612 PolarHBondContact O-N 3.26Å; D1610-K1612 WeakPolarHBondContact OD1-CB 3.21Å; D1610-K1612 VanDerWaalsContact OD1-CG 3.28Å; D1610-K1612 WeakPolarHBondContact OD1-CG 3.23Å; D1610-K1612 PolarHBondContact OD1-N 3.31Å; D1610-K1612 VanDerWaalsContact OD1-N 3.1Å; D1610-T1613 WeakPolarHBondContact O-CB 3.42Å; D1610-T1613 PolarHBondContact O-N 2.98Å; D1610-T1613 PolarHBondContact O-OG1 3.22Å | ||
| 1611 | V | 47.3 | Very low | 49.2 | Very low | 17.2 Ų | 17.2 | 86.3 Ų | 86.3 | 10% | 0.104 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -21.7 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 112.7 | Y1595 N1599 L1602 F1609 T1613 L1614 K1615 | Y1595-V1611 HydrophobicContact CD1-CB 4.46Å; Y1595-V1611 HydrophobicContact CD1-CG1 3.74Å; Y1595-V1611 HydrophobicContact CD1-CG2 4.27Å; Y1595-V1611 HydrophobicContact CD2-CG1 4.35Å; Y1595-V1611 HydrophobicContact CE1-CG1 3.83Å; Y1595-V1611 HydrophobicContact CG-CG1 3.8Å; N1599-V1611 WeakPolarHBondContact OD1-CG2 3.38Å; L1602-V1611 HydrophobicContact CD1-CG2 3.91Å; F1609-V1611 HydrophobicContact CD1-CG2 4.37Å; F1609-V1611 HydrophobicContact CE1-CG2 4.45Å; F1609-V1611 PolarHBondContact O-N 3.2Å; V1611-T1613 VanDerWaalsContact C-N 3.26Å; V1611-T1613 PolarHBondContact O-N 3.19Å; V1611-L1614 HydrophobicContact CG1-CD1 4.39Å; V1611-L1614 VanDerWaalsContact O-CB 3.29Å; V1611-L1614 WeakPolarHBondContact O-CB 3.32Å; V1611-L1614 PolarHBondContact O-N 2.95Å; V1611-L1614 VanDerWaalsContact O-N 3.12Å; V1611-K1615 PolarHBondContact O-N 3.3Å |
| 1612 | K | 47.9 | Very low | 49.5 | Very low | 131 Ų | 131 | 87.5 Ų | 87.5 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.2 | -31.6 | 172.5 | -68.3 | 178.4 | -177.9 | 174.3 | 0 | 113.4 | N1582 D1610 L1614 K1615 N1616 | N1582-K1612 WeakPolarHBondContact ND2-CG 3.21Å; D1610-K1612 PolarHBondContact O-N 3.26Å; D1610-K1612 WeakPolarHBondContact OD1-CB 3.21Å; D1610-K1612 VanDerWaalsContact OD1-CG 3.28Å; D1610-K1612 WeakPolarHBondContact OD1-CG 3.23Å; D1610-K1612 PolarHBondContact OD1-N 3.31Å; D1610-K1612 VanDerWaalsContact OD1-N 3.1Å; K1612-L1614 VanDerWaalsContact C-N 3.29Å; K1612-L1614 PolarHBondContact O-N 2.98Å; K1612-K1615 VanDerWaalsContact O-CB 3.31Å; K1612-K1615 WeakPolarHBondContact O-CB 3.36Å; K1612-K1615 PolarHBondContact O-N 2.96Å; K1612-K1615 VanDerWaalsContact O-N 3.08Å; K1612-N1616 PolarHBondContact O-N 3.32Å; K1612-N1616 VanDerWaalsContact O-N 3.16Å |
| 1613 | T | 48 | Very low | 49.9 | Very low | 80 Ų | 80 | 86.6 Ų | 86.6 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.5 | -28 | 179.1 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | D1610 V1611 K1615 N1616 S1617 | D1610-T1613 WeakPolarHBondContact O-CB 3.42Å; D1610-T1613 PolarHBondContact O-N 2.98Å; D1610-T1613 PolarHBondContact O-OG1 3.22Å; V1611-T1613 VanDerWaalsContact C-N 3.26Å; V1611-T1613 PolarHBondContact O-N 3.19Å; T1613-K1615 VanDerWaalsContact C-N 3.3Å; T1613-K1615 PolarHBondContact O-N 3.24Å; T1613-N1616 PolarHBondContact O-N 3.06Å; T1613-S1617 PolarHBondContact O-N 3.47Å; T1613-S1617 VanDerWaalsContact O-N 3.16Å |
| 1614 | L | 44.6 | Very low | 50 | Low | 71.4 Ų | 71.4 | 82.9 Ų | 82.9 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.1 | -33.5 | 175.7 | -109.7 | 138.8 | 0 | 0 | 0 | 112.4 | N1088 F1609 V1611 K1612 N1616 S1617 | N1088-L1614 HydrophobicContact CB-CD1 4.1Å; N1088-L1614 HydrophobicContact CB-CD2 4.09Å; N1088-L1614 HydrophobicContact CB-CG 4Å; N1088-L1614 VanDerWaalsContact CG-CG 3.4Å; N1088-L1614 WeakPolarHBondContact ND2-CD2 3.39Å; N1088-L1614 WeakPolarHBondContact OD1-CD2 3.41Å; N1088-L1614 WeakPolarHBondContact OD1-CG 3.26Å; F1609-L1614 HydrophobicContact CD1-CD1 4.49Å; F1609-L1614 HydrophobicContact CE1-CD1 3.84Å; F1609-L1614 HydrophobicContact CE1-CG 4.39Å; F1609-L1614 HydrophobicContact CZ-CD1 4.22Å; F1609-L1614 HydrophobicContact CZ-CG 4.49Å; V1611-L1614 HydrophobicContact CG1-CD1 4.39Å; V1611-L1614 VanDerWaalsContact O-CB 3.29Å; V1611-L1614 WeakPolarHBondContact O-CB 3.32Å; V1611-L1614 PolarHBondContact O-N 2.95Å; V1611-L1614 VanDerWaalsContact O-N 3.12Å; K1612-L1614 VanDerWaalsContact C-N 3.29Å; K1612-L1614 PolarHBondContact O-N 2.98Å; L1614-N1616 PolarHBondContact O-N 2.86Å; L1614-S1617 WeakPolarHBondContact O-CB 3.47Å; L1614-S1617 PolarHBondContact O-N 3.03Å; L1614-S1617 PolarHBondContact O-OG 3.1Å; L1614-S1617 VanDerWaalsContact O-OG 3.09Å |
| 1615 | K | 44.4 | Very low | 50.1 | Low | 45.6 Ų | 45.6 | 84 Ų | 84 | 20% | 0.198 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72.9 | -29.2 | -176.4 | -70.7 | -174.6 | 173.6 | -174.2 | 0 | 114 | F1578 C1580 N1582 V1611 K1612 T1613 S1617 | F1578-K1615 WeakPolarHBondContact O-CE 3.44Å; C1580-K1615 WeakPolarHBondContact O-CD 3.26Å; C1580-K1615 WeakPolarHBondContact O-CE 3.32Å; C1580-K1615 PolarHBondContact O-NZ 3.03Å; N1582-K1615 WeakPolarHBondContact OD1-CD 3.34Å; N1582-K1615 WeakPolarHBondContact OD1-CE 3.37Å; N1582-K1615 PolarHBondContact OD1-NZ 3.09Å; V1611-K1615 PolarHBondContact O-N 3.3Å; K1612-K1615 VanDerWaalsContact O-CB 3.31Å; K1612-K1615 WeakPolarHBondContact O-CB 3.36Å; K1612-K1615 PolarHBondContact O-N 2.96Å; K1612-K1615 VanDerWaalsContact O-N 3.08Å; T1613-K1615 VanDerWaalsContact C-N 3.3Å; T1613-K1615 PolarHBondContact O-N 3.24Å; K1615-S1617 VanDerWaalsContact C-N 3.27Å; K1615-S1617 PolarHBondContact O-N 3.41Å |
| 1616 | N | 43.5 | Very low | 50.8 | Low | 141.4 Ų | 141.4 | 79.5 Ų | 79.5 | 76% | 0.756 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 21.3 | -179.2 | -78.3 | -3.9 | 0 | 0 | 0 | 113.2 | K1612 T1613 L1614 N1618 | K1612-N1616 PolarHBondContact O-N 3.32Å; K1612-N1616 VanDerWaalsContact O-N 3.16Å; T1613-N1616 PolarHBondContact O-N 3.06Å; L1614-N1616 PolarHBondContact O-N 2.86Å; N1616-N1618 PolarHBondContact O-N 3.11Å; N1616-N1618 VanDerWaalsContact O-N 3.14Å |
| 1617 | S | 46.9 | Very low | 51.5 | Low | 26.6 Ų | 26.6 | 72.6 Ų | 72.6 | 19% | 0.186 | 38% | 0.383 | C | S | . | . | trans | -75.5 | 104.5 | -176.7 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | N1579 T1613 L1614 K1615 I1619 M1620 N1621 | N1579-S1617 PolarHBondContact OD1-OG 2.87Å; T1613-S1617 PolarHBondContact O-N 3.47Å; T1613-S1617 VanDerWaalsContact O-N 3.16Å; L1614-S1617 WeakPolarHBondContact O-CB 3.47Å; L1614-S1617 PolarHBondContact O-N 3.03Å; L1614-S1617 PolarHBondContact O-OG 3.1Å; L1614-S1617 VanDerWaalsContact O-OG 3.09Å; K1615-S1617 VanDerWaalsContact C-N 3.27Å; K1615-S1617 PolarHBondContact O-N 3.41Å; S1617-I1619 PolarHBondContact O-N 3.08Å; S1617-I1619 VanDerWaalsContact O-N 3.1Å; S1617-M1620 PolarHBondContact O-N 3.08Å; S1617-M1620 VanDerWaalsContact O-N 3.13Å; S1617-M1620 WeakPolarHBondContact OG-CB 3.49Å; S1617-M1620 VanDerWaalsContact OG-CG 3.27Å; S1617-M1620 WeakPolarHBondContact OG-CG 3.37Å; S1617-M1620 PolarHBondContact OG-N 3.46Å; S1617-N1621 PolarHBondContact O-N 2.76Å | ||
| 1618 | N | 51.7 | Low | 52.6 | Low | 115.2 Ų | 115.2 | 72.8 Ų | 72.8 | 62% | 0.616 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -50.2 | -30.9 | 173.3 | -79.9 | -15.2 | 0 | 0 | 0 | 112.5 | N1616 N1621 I1622 | N1616-N1618 PolarHBondContact O-N 3.11Å; N1616-N1618 VanDerWaalsContact O-N 3.14Å; N1618-N1621 PolarHBondContact O-N 3.4Å; N1618-I1622 WeakPolarHBondContact O-CB 2.99Å; N1618-I1622 WeakPolarHBondContact O-CD1 3.43Å; N1618-I1622 VanDerWaalsContact O-CG1 3.29Å; N1618-I1622 WeakPolarHBondContact O-CG1 3.31Å; N1618-I1622 PolarHBondContact O-N 3.16Å; N1618-I1622 VanDerWaalsContact O-N 3.09Å |
| 1619 | I | 49.4 | Very low | 53.7 | Low | 77.6 Ų | 77.6 | 70.3 Ų | 70.3 | 40% | 0.398 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 177.7 | -62 | 171.1 | 0 | 0 | 0 | 111.7 | P1092 S1617 N1621 I1622 L1623 | P1092-I1619 HydrophobicContact CB-CD1 3.99Å; P1092-I1619 HydrophobicContact CB-CG1 4.1Å; P1092-I1619 HydrophobicContact CG-CD1 3.68Å; P1092-I1619 HydrophobicContact CG-CG1 4.02Å; S1617-I1619 PolarHBondContact O-N 3.08Å; S1617-I1619 VanDerWaalsContact O-N 3.1Å; I1619-N1621 VanDerWaalsContact C-N 3.3Å; I1619-N1621 PolarHBondContact O-N 2.89Å; I1619-I1622 PolarHBondContact O-N 3.2Å; I1619-L1623 VanDerWaalsContact O-CB 3.29Å; I1619-L1623 WeakPolarHBondContact O-CB 3.38Å; I1619-L1623 PolarHBondContact O-N 3.25Å |
| 1620 | M | 50.8 | Low | 54.7 | Low | 45.2 Ų | 45.2 | 67.4 Ų | 67.4 | 22% | 0.223 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | -179.5 | -71.8 | -63.3 | -75 | 0 | 0 | 110.8 | F1578 S1617 I1622 L1623 F1624 | F1578-M1620 HydrophobicContact CD2-CE 4.29Å; F1578-M1620 HydrophobicContact CE2-CE 4.45Å; S1617-M1620 PolarHBondContact O-N 3.08Å; S1617-M1620 VanDerWaalsContact O-N 3.13Å; S1617-M1620 WeakPolarHBondContact OG-CB 3.49Å; S1617-M1620 VanDerWaalsContact OG-CG 3.27Å; S1617-M1620 WeakPolarHBondContact OG-CG 3.37Å; S1617-M1620 PolarHBondContact OG-N 3.46Å; M1620-I1622 VanDerWaalsContact C-N 3.34Å; M1620-I1622 PolarHBondContact O-N 3.04Å; M1620-L1623 WeakPolarHBondContact O-CB 3.38Å; M1620-L1623 PolarHBondContact O-N 3.35Å; M1620-L1623 VanDerWaalsContact O-N 3.16Å; M1620-L1623 HydrophobicContact SD-CD2 4.11Å; M1620-F1624 VanDerWaalsContact C-CD2 3.5Å; M1620-F1624 HydrophobicContact CB-CD2 4.33Å; M1620-F1624 HydrophobicContact CB-CE2 3.91Å; M1620-F1624 HydrophobicContact CB-CZ 4.14Å; M1620-F1624 HydrophobicContact CE-CE1 4.31Å; M1620-F1624 HydrophobicContact CE-CE2 3.94Å; M1620-F1624 HydrophobicContact CE-CZ 3.56Å; M1620-F1624 VanDerWaalsContact CE-CZ 3.47Å; M1620-F1624 WeakPolarHBondContact O-CB 3.43Å; M1620-F1624 WeakPolarHBondContact O-CD2 3.34Å; M1620-F1624 WeakPolarHBondContact O-CE2 3.38Å; M1620-F1624 VanDerWaalsContact O-CG 3.28Å; M1620-F1624 WeakPolarHBondContact O-CG 3.34Å; M1620-F1624 PolarHBondContact O-N 3.32Å; M1620-F1624 HydrophobicContact SD-CZ 4.22Å |
| 1621 | N | 53.9 | Low | 55.7 | Low | 76.2 Ų | 76.2 | 63.7 Ų | 63.7 | 41% | 0.407 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.7 | -46 | 174.6 | -71.9 | -17.2 | 0 | 0 | 0 | 112 | S1617 N1618 I1619 L1623 F1624 Q1625 | S1617-N1621 PolarHBondContact O-N 2.76Å; N1618-N1621 PolarHBondContact O-N 3.4Å; I1619-N1621 VanDerWaalsContact C-N 3.3Å; I1619-N1621 PolarHBondContact O-N 2.89Å; N1621-L1623 VanDerWaalsContact C-N 3.31Å; N1621-L1623 PolarHBondContact O-N 3.26Å; N1621-F1624 PolarHBondContact O-N 3.24Å; N1621-Q1625 WeakPolarHBondContact O-CB 3.34Å; N1621-Q1625 PolarHBondContact O-N 3.11Å |
| 1622 | I | 58.5 | Low | 56.8 | Low | 93.4 Ų | 93.4 | 64 Ų | 64 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.4 | -68 | 164.2 | 0 | 0 | 0 | 110.8 | N1618 I1619 M1620 F1624 Q1625 N1626 | N1618-I1622 WeakPolarHBondContact O-CB 2.99Å; N1618-I1622 WeakPolarHBondContact O-CD1 3.43Å; N1618-I1622 VanDerWaalsContact O-CG1 3.29Å; N1618-I1622 WeakPolarHBondContact O-CG1 3.31Å; N1618-I1622 PolarHBondContact O-N 3.16Å; N1618-I1622 VanDerWaalsContact O-N 3.09Å; I1619-I1622 PolarHBondContact O-N 3.2Å; M1620-I1622 VanDerWaalsContact C-N 3.34Å; M1620-I1622 PolarHBondContact O-N 3.04Å; I1622-F1624 VanDerWaalsContact C-N 3.34Å; I1622-F1624 PolarHBondContact O-N 3.09Å; I1622-Q1625 PolarHBondContact O-N 3.31Å; I1622-N1626 VanDerWaalsContact O-CB 3.27Å; I1622-N1626 WeakPolarHBondContact O-CB 3.35Å; I1622-N1626 VanDerWaalsContact O-CG 3.26Å; I1622-N1626 PolarHBondContact O-N 3.3Å; I1622-N1626 PolarHBondContact O-ND2 3.17Å |
| 1623 | L | 57.1 | Low | 58.2 | Low | 27.8 Ų | 27.8 | 61.6 Ų | 61.6 | 15% | 0.146 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | -179.1 | -155.4 | 141.1 | 0 | 0 | 0 | 111.4 | H1084 R1487 I1619 M1620 N1621 N1626 R1627 | H1084-L1623 WeakPolarHBondContact CE1-CD1 3.44Å; H1084-L1623 WeakPolarHBondContact NE2-CD1 3.33Å; R1487-L1623 VanDerWaalsContact O-CD2 3.22Å; R1487-L1623 WeakPolarHBondContact O-CD2 3.23Å; R1487-L1623 WeakPolarHBondContact O-CG 3.45Å; I1619-L1623 VanDerWaalsContact O-CB 3.29Å; I1619-L1623 WeakPolarHBondContact O-CB 3.38Å; I1619-L1623 PolarHBondContact O-N 3.25Å; M1620-L1623 WeakPolarHBondContact O-CB 3.38Å; M1620-L1623 PolarHBondContact O-N 3.35Å; M1620-L1623 VanDerWaalsContact O-N 3.16Å; M1620-L1623 HydrophobicContact SD-CD2 4.11Å; N1621-L1623 VanDerWaalsContact C-N 3.31Å; N1621-L1623 PolarHBondContact O-N 3.26Å; L1623-N1626 PolarHBondContact O-N 3.17Å; L1623-R1627 VanDerWaalsContact CD2-CD 3.49Å; L1623-R1627 HydrophobicContact CD2-CG 4.38Å; L1623-R1627 VanDerWaalsContact CD2-NE 3.29Å; L1623-R1627 VanDerWaalsContact CD2-NH2 3.34Å; L1623-R1627 WeakPolarHBondContact O-CB 3.37Å; L1623-R1627 WeakPolarHBondContact O-CD 3.38Å; L1623-R1627 VanDerWaalsContact O-CG 3.3Å; L1623-R1627 WeakPolarHBondContact O-CG 3.36Å; L1623-R1627 PolarHBondContact O-N 3.03Å; L1623-R1627 VanDerWaalsContact O-N 3.11Å |
| 1624 | F | 59 | Low | 59.7 | Low | 33.2 Ų | 33.2 | 58.4 Ų | 58.4 | 15% | 0.146 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 174 | -67.4 | -49.2 | 0 | 0 | 0 | 112.4 | V1574 L1576 F1578 M1620 N1621 I1622 N1626 R1627 S1628 | V1574-F1624 HydrophobicContact CG1-CD1 4.42Å; V1574-F1624 HydrophobicContact CG1-CE1 3.75Å; V1574-F1624 HydrophobicContact CG1-CZ 4.26Å; V1574-F1624 WeakPolarHBondContact O-CD1 3.28Å; V1574-F1624 WeakPolarHBondContact O-CE1 3.47Å; L1576-F1624 WeakPolarHBondContact O-CE1 3.49Å; L1576-F1624 WeakPolarHBondContact O-CZ 3.36Å; F1578-F1624 HydrophobicContact CB-CZ 4.17Å; F1578-F1624 HydrophobicContact CD2-CE2 4.2Å; F1578-F1624 AromaticContact CD2-CZ 3.9Å; F1578-F1624 HydrophobicContact CD2-CZ 3.9Å; F1578-F1624 VanDerWaalsContact N-CZ 3.34Å; M1620-F1624 VanDerWaalsContact C-CD2 3.5Å; M1620-F1624 HydrophobicContact CB-CD2 4.33Å; M1620-F1624 HydrophobicContact CB-CE2 3.91Å; M1620-F1624 HydrophobicContact CB-CZ 4.14Å; M1620-F1624 HydrophobicContact CE-CE1 4.31Å; M1620-F1624 HydrophobicContact CE-CE2 3.94Å; M1620-F1624 HydrophobicContact CE-CZ 3.56Å; M1620-F1624 VanDerWaalsContact CE-CZ 3.47Å; M1620-F1624 WeakPolarHBondContact O-CB 3.43Å; M1620-F1624 WeakPolarHBondContact O-CD2 3.34Å; M1620-F1624 WeakPolarHBondContact O-CE2 3.38Å; M1620-F1624 VanDerWaalsContact O-CG 3.28Å; M1620-F1624 WeakPolarHBondContact O-CG 3.34Å; M1620-F1624 PolarHBondContact O-N 3.32Å; M1620-F1624 HydrophobicContact SD-CZ 4.22Å; N1621-F1624 PolarHBondContact O-N 3.24Å; I1622-F1624 VanDerWaalsContact C-N 3.34Å; I1622-F1624 PolarHBondContact O-N 3.09Å; F1624-N1626 VanDerWaalsContact C-N 3.29Å; F1624-N1626 PolarHBondContact O-N 2.91Å; F1624-R1627 PolarHBondContact O-N 3.05Å; F1624-S1628 WeakPolarHBondContact O-CB 3.31Å; F1624-S1628 PolarHBondContact O-N 3.27Å |
| 1625 | Q | 63.4 | Low | 61.2 | Low | 131.8 Ų | 131.8 | 55.2 Ų | 55.2 | 62% | 0.616 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 176.5 | -171 | 173.3 | 4.6 | 0 | 0 | 111.1 | N1621 I1622 R1627 S1628 T1629 | N1621-Q1625 WeakPolarHBondContact O-CB 3.34Å; N1621-Q1625 PolarHBondContact O-N 3.11Å; I1622-Q1625 PolarHBondContact O-N 3.31Å; Q1625-R1627 VanDerWaalsContact C-N 3.29Å; Q1625-R1627 PolarHBondContact O-N 3.06Å; Q1625-S1628 WeakPolarHBondContact O-CB 3.31Å; Q1625-S1628 PolarHBondContact O-N 3.08Å; Q1625-S1628 VanDerWaalsContact O-N 3.12Å; Q1625-T1629 VanDerWaalsContact O-CB 3.28Å; Q1625-T1629 WeakPolarHBondContact O-CB 3.27Å; Q1625-T1629 WeakPolarHBondContact O-CG2 3.38Å; Q1625-T1629 PolarHBondContact O-N 3.22Å; Q1625-T1629 PolarHBondContact O-OG1 3.11Å |
| 1626 | N | 63.2 | Low | 62.9 | Low | 59 Ų | 59 | 61 Ų | 61 | 32% | 0.316 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 176.5 | -75.5 | -14.8 | 0 | 0 | 0 | 112.5 | P1490 I1622 L1623 F1624 T1629 A1630 | P1490-N1626 HydrophobicContact CG-CB 4.3Å; I1622-N1626 VanDerWaalsContact O-CB 3.27Å; I1622-N1626 WeakPolarHBondContact O-CB 3.35Å; I1622-N1626 VanDerWaalsContact O-CG 3.26Å; I1622-N1626 PolarHBondContact O-N 3.3Å; I1622-N1626 PolarHBondContact O-ND2 3.17Å; L1623-N1626 PolarHBondContact O-N 3.17Å; F1624-N1626 VanDerWaalsContact C-N 3.29Å; F1624-N1626 PolarHBondContact O-N 2.91Å; N1626-T1629 VanDerWaalsContact CA-OG1 3.3Å; N1626-T1629 WeakPolarHBondContact CA-OG1 3.46Å; N1626-T1629 PolarHBondContact O-OG1 3.45Å; N1626-A1630 VanDerWaalsContact O-CB 3.27Å; N1626-A1630 WeakPolarHBondContact O-CB 3.36Å; N1626-A1630 PolarHBondContact O-N 3.01Å |
| 1627 | R | 63.9 | Low | 64.7 | Low | 38 Ų | 38 | 55.3 Ų | 55.3 | 14% | 0.143 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 175.3 | -76.3 | 174.2 | 173.1 | -179.9 | 3.7 | 112 | F1486 P1490 F1572 N1573 V1574 L1623 F1624 Q1625 T1629 A1630 V1631 | F1486-R1627 PolarHBondContact O-NE 3.19Å; F1486-R1627 PolarHBondContact O-NH2 3.1Å; P1490-R1627 HydrophobicContact CB-CG 4.34Å; P1490-R1627 HydrophobicContact CG-CG 3.86Å; F1572-R1627 HydrophobicContact CE1-CB 3.84Å; F1572-R1627 HydrophobicContact CZ-CB 4.13Å; N1573-R1627 PolarHBondContact O-NH1 3.44Å; V1574-R1627 HydrophobicContact CB-CB 4.49Å; V1574-R1627 HydrophobicContact CG1-CB 3.95Å; V1574-R1627 VanDerWaalsContact CG1-CD 3.45Å; V1574-R1627 HydrophobicContact CG1-CG 4.31Å; V1574-R1627 HydrophobicContact CG2-CB 4.16Å; V1574-R1627 HydrophobicContact CG2-CG 4.18Å; V1574-R1627 WeakPolarHBondContact O-CD 3.4Å; L1623-R1627 VanDerWaalsContact CD2-CD 3.49Å; L1623-R1627 HydrophobicContact CD2-CG 4.38Å; L1623-R1627 VanDerWaalsContact CD2-NE 3.29Å; L1623-R1627 VanDerWaalsContact CD2-NH2 3.34Å; L1623-R1627 WeakPolarHBondContact O-CB 3.37Å; L1623-R1627 WeakPolarHBondContact O-CD 3.38Å; L1623-R1627 VanDerWaalsContact O-CG 3.3Å; L1623-R1627 WeakPolarHBondContact O-CG 3.36Å; L1623-R1627 PolarHBondContact O-N 3.03Å; L1623-R1627 VanDerWaalsContact O-N 3.11Å; F1624-R1627 PolarHBondContact O-N 3.05Å; Q1625-R1627 VanDerWaalsContact C-N 3.29Å; Q1625-R1627 PolarHBondContact O-N 3.06Å; R1627-T1629 PolarHBondContact O-N 3.02Å; R1627-A1630 WeakPolarHBondContact O-CB 3.22Å; R1627-A1630 PolarHBondContact O-N 3.04Å; R1627-A1630 VanDerWaalsContact O-N 3.14Å; R1627-V1631 VanDerWaalsContact O-CG2 3.27Å; R1627-V1631 WeakPolarHBondContact O-CG2 3.35Å; R1627-V1631 PolarHBondContact O-N 3.01Å |
| 1628 | S | 64.5 | Low | 66.3 | Low | 55.2 Ų | 55.2 | 54 Ų | 54 | 39% | 0.386 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | F1624 Q1625 A1630 V1631 A1632 | F1624-S1628 WeakPolarHBondContact O-CB 3.31Å; F1624-S1628 PolarHBondContact O-N 3.27Å; Q1625-S1628 WeakPolarHBondContact O-CB 3.31Å; Q1625-S1628 PolarHBondContact O-N 3.08Å; Q1625-S1628 VanDerWaalsContact O-N 3.12Å; S1628-A1630 VanDerWaalsContact C-N 3.32Å; S1628-A1630 PolarHBondContact O-N 3.3Å; S1628-V1631 PolarHBondContact O-N 3.17Å; S1628-A1632 WeakPolarHBondContact O-CB 3.39Å; S1628-A1632 PolarHBondContact O-N 3.09Å |
| 1629 | T | 70.6 | Confident | 67.7 | Low | 60.4 Ų | 60.4 | 48.6 Ų | 48.6 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 175.9 | -37.1 | 0 | 0 | 0 | 0 | 112 | L1491 Q1625 N1626 R1627 V1631 A1632 L1633 | L1491-T1629 HydrophobicContact CD2-CG2 4.25Å; Q1625-T1629 VanDerWaalsContact O-CB 3.28Å; Q1625-T1629 WeakPolarHBondContact O-CB 3.27Å; Q1625-T1629 WeakPolarHBondContact O-CG2 3.38Å; Q1625-T1629 PolarHBondContact O-N 3.22Å; Q1625-T1629 PolarHBondContact O-OG1 3.11Å; N1626-T1629 VanDerWaalsContact CA-OG1 3.3Å; N1626-T1629 WeakPolarHBondContact CA-OG1 3.46Å; N1626-T1629 PolarHBondContact O-OG1 3.45Å; R1627-T1629 PolarHBondContact O-N 3.02Å; T1629-V1631 PolarHBondContact O-N 3.43Å; T1629-A1632 PolarHBondContact O-N 3.18Å; T1629-L1633 HydrophobicContact CG2-CD1 4.01Å; T1629-L1633 HydrophobicContact CG2-CG 4.41Å; T1629-L1633 WeakPolarHBondContact O-CB 3.24Å; T1629-L1633 VanDerWaalsContact O-CG 3.27Å; T1629-L1633 WeakPolarHBondContact O-CG 3.35Å; T1629-L1633 PolarHBondContact O-N 2.94Å |
| 1630 | A | 70.6 | Confident | 69.3 | Low | 2.2 Ų | 2.2 | 47.7 Ų | 47.7 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1490 L1491 V1494 N1626 R1627 S1628 A1632 L1633 F1634 | P1490-A1630 HydrophobicContact CB-CB 3.79Å; P1490-A1630 HydrophobicContact CG-CB 4.09Å; L1491-A1630 HydrophobicContact CD2-CB 4.16Å; L1491-A1630 HydrophobicContact CG-CB 4.27Å; V1494-A1630 HydrophobicContact CG2-CB 3.94Å; V1494-A1630 WeakPolarHBondContact CG2-O 3.31Å; N1626-A1630 VanDerWaalsContact O-CB 3.27Å; N1626-A1630 WeakPolarHBondContact O-CB 3.36Å; N1626-A1630 PolarHBondContact O-N 3.01Å; R1627-A1630 WeakPolarHBondContact O-CB 3.22Å; R1627-A1630 PolarHBondContact O-N 3.04Å; R1627-A1630 VanDerWaalsContact O-N 3.14Å; S1628-A1630 VanDerWaalsContact C-N 3.32Å; S1628-A1630 PolarHBondContact O-N 3.3Å; A1630-A1632 PolarHBondContact O-N 3.06Å; A1630-L1633 PolarHBondContact O-N 3.3Å; A1630-F1634 VanDerWaalsContact O-CB 3.29Å; A1630-F1634 WeakPolarHBondContact O-CB 3.28Å; A1630-F1634 PolarHBondContact O-N 3.26Å |
| 1631 | V | 70.8 | Confident | 70.6 | Confident | 8.4 Ų | 8.4 | 46.3 Ų | 46.3 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | I1570 F1572 V1574 Y1575 R1627 S1628 T1629 L1633 F1634 N1635 L1717 | I1570-V1631 HydrophobicContact CG2-CG2 3.27Å; F1572-V1631 HydrophobicContact CD1-CG2 3.69Å; F1572-V1631 VanDerWaalsContact CD1-CG2 3.41Å; F1572-V1631 HydrophobicContact CD2-CG2 4.45Å; F1572-V1631 HydrophobicContact CE1-CB 4.37Å; F1572-V1631 HydrophobicContact CE1-CG2 3.13Å; F1572-V1631 HydrophobicContact CE2-CB 4.06Å; F1572-V1631 HydrophobicContact CE2-CG1 4.25Å; F1572-V1631 HydrophobicContact CE2-CG2 3.86Å; F1572-V1631 VanDerWaalsContact CE2-CG2 3.47Å; F1572-V1631 HydrophobicContact CG-CG2 4.22Å; F1572-V1631 HydrophobicContact CZ-CB 4.43Å; F1572-V1631 HydrophobicContact CZ-CG2 3.5Å; V1574-V1631 HydrophobicContact CB-CG2 4.27Å; V1574-V1631 HydrophobicContact CG1-CG2 3.27Å; Y1575-V1631 HydrophobicContact CE1-CG1 4.18Å; Y1575-V1631 HydrophobicContact CE1-CG2 4.13Å; R1627-V1631 VanDerWaalsContact O-CG2 3.27Å; R1627-V1631 WeakPolarHBondContact O-CG2 3.35Å; R1627-V1631 PolarHBondContact O-N 3.01Å; S1628-V1631 PolarHBondContact O-N 3.17Å; T1629-V1631 PolarHBondContact O-N 3.43Å; V1631-L1633 VanDerWaalsContact C-N 3.33Å; V1631-L1633 PolarHBondContact O-N 3.11Å; V1631-F1634 WeakPolarHBondContact O-CB 3.38Å; V1631-F1634 PolarHBondContact O-N 3.28Å; V1631-N1635 WeakPolarHBondContact O-CB 3.28Å; V1631-N1635 PolarHBondContact O-N 3.22Å; V1631-L1717 HydrophobicContact CG1-CD2 3.76Å; V1631-L1717 VanDerWaalsContact CG1-CD2 3.42Å |
| 1632 | A | 71.4 | Confident | 71.9 | Confident | 25.2 Ų | 25.2 | 42.7 Ų | 42.7 | 21% | 0.208 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.6 | -45.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1628 T1629 A1630 R1636 T1718 | S1628-A1632 WeakPolarHBondContact O-CB 3.39Å; S1628-A1632 PolarHBondContact O-N 3.09Å; T1629-A1632 PolarHBondContact O-N 3.18Å; A1630-A1632 PolarHBondContact O-N 3.06Å; A1632-R1636 VanDerWaalsContact O-CB 3.26Å; A1632-R1636 WeakPolarHBondContact O-CB 3.41Å; A1632-R1636 PolarHBondContact O-N 3.23Å; A1632-T1718 WeakPolarHBondContact CA-OG1 3.34Å; A1632-T1718 HydrophobicContact CB-CG2 4.08Å; A1632-T1718 WeakPolarHBondContact CB-OG1 3.38Å |
| 1633 | L | 76.5 | Confident | 73 | Confident | 78.8 Ų | 78.8 | 39.1 Ų | 39.1 | 41% | 0.413 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.6 | -72.4 | 173.5 | 0 | 0 | 0 | 112.4 | L1491 V1494 T1629 A1630 V1631 S1637 | L1491-L1633 HydrophobicContact CD1-CD1 3.31Å; L1491-L1633 HydrophobicContact CD2-CD1 3.6Å; L1491-L1633 VanDerWaalsContact CD2-CD1 3.45Å; V1494-L1633 HydrophobicContact CG1-CB 4.25Å; T1629-L1633 HydrophobicContact CG2-CD1 4.01Å; T1629-L1633 HydrophobicContact CG2-CG 4.41Å; T1629-L1633 WeakPolarHBondContact O-CB 3.24Å; T1629-L1633 VanDerWaalsContact O-CG 3.27Å; T1629-L1633 WeakPolarHBondContact O-CG 3.35Å; T1629-L1633 PolarHBondContact O-N 2.94Å; A1630-L1633 PolarHBondContact O-N 3.3Å; V1631-L1633 VanDerWaalsContact C-N 3.33Å; V1631-L1633 PolarHBondContact O-N 3.11Å; L1633-S1637 VanDerWaalsContact O-CB 3.24Å; L1633-S1637 WeakPolarHBondContact O-CB 3.37Å; L1633-S1637 PolarHBondContact O-N 3.13Å; L1633-S1637 PolarHBondContact O-OG 3.15Å |
| 1634 | F | 78.3 | Confident | 73.9 | Confident | 12.8 Ų | 12.8 | 44.7 Ų | 44.7 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -52.1 | 177.8 | -172.5 | -106.3 | 0 | 0 | 0 | 111.3 | V1494 C1497 A1630 V1631 R1636 S1637 I1638 I1692 | V1494-F1634 HydrophobicContact CB-CB 4.45Å; V1494-F1634 HydrophobicContact CB-CD2 4.43Å; V1494-F1634 HydrophobicContact CG1-CB 3.91Å; V1494-F1634 HydrophobicContact CG1-CD2 4.11Å; V1494-F1634 HydrophobicContact CG1-CG 4.46Å; V1494-F1634 HydrophobicContact CG2-CB 3.86Å; V1494-F1634 HydrophobicContact CG2-CD2 4.08Å; V1494-F1634 HydrophobicContact CG2-CG 4.34Å; C1497-F1634 HydrophobicContact CB-CD2 4.43Å; C1497-F1634 HydrophobicContact CB-CE2 3.74Å; A1630-F1634 VanDerWaalsContact O-CB 3.29Å; A1630-F1634 WeakPolarHBondContact O-CB 3.28Å; A1630-F1634 PolarHBondContact O-N 3.26Å; V1631-F1634 WeakPolarHBondContact O-CB 3.38Å; V1631-F1634 PolarHBondContact O-N 3.28Å; F1634-R1636 PolarHBondContact O-N 3.15Å; F1634-S1637 PolarHBondContact O-N 3.13Å; F1634-S1637 PolarHBondContact O-OG 3.15Å; F1634-I1638 HydrophobicContact CD1-CD1 3.78Å; F1634-I1638 HydrophobicContact CD2-CD1 4.11Å; F1634-I1638 HydrophobicContact CE1-CD1 3.35Å; F1634-I1638 HydrophobicContact CE2-CD1 3.72Å; F1634-I1638 HydrophobicContact CE2-CG1 4.49Å; F1634-I1638 HydrophobicContact CG-CD1 4.17Å; F1634-I1638 HydrophobicContact CZ-CD1 3.34Å; F1634-I1638 VanDerWaalsContact CZ-CD1 3.41Å; F1634-I1638 WeakPolarHBondContact O-CG1 3.4Å; F1634-I1638 PolarHBondContact O-N 3.21Å; F1634-I1692 HydrophobicContact CE1-CG2 3.87Å; F1634-I1692 HydrophobicContact CE2-CG2 4.46Å; F1634-I1692 HydrophobicContact CZ-CG2 3.46Å; F1634-I1692 VanDerWaalsContact CZ-CG2 3.46Å |
| 1635 | N | 77.1 | Confident | 74.7 | Confident | 4.4 Ų | 4.4 | 44.6 Ų | 44.6 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 178.4 | -73.6 | -12.5 | 0 | 0 | 0 | 111.4 | V1631 S1637 I1638 S1639 L1693 L1717 | V1631-N1635 WeakPolarHBondContact O-CB 3.28Å; V1631-N1635 PolarHBondContact O-N 3.22Å; N1635-S1637 VanDerWaalsContact C-N 3.32Å; N1635-S1637 PolarHBondContact O-N 3.22Å; N1635-I1638 PolarHBondContact O-N 3.23Å; N1635-S1639 VanDerWaalsContact O-CB 3.26Å; N1635-S1639 WeakPolarHBondContact O-CB 3.24Å; N1635-S1639 PolarHBondContact O-N 3.19Å; N1635-S1639 PolarHBondContact O-OG 3Å; N1635-S1639 VanDerWaalsContact O-OG 3.06Å; N1635-L1693 HydrophobicContact CB-CD1 4.28Å; N1635-L1693 HydrophobicContact CB-CD2 4.35Å; N1635-L1693 WeakPolarHBondContact OD1-CD1 3.42Å; N1635-L1717 VanDerWaalsContact ND2-CD2 3.27Å; N1635-L1717 WeakPolarHBondContact ND2-CD2 3.39Å |
| 1636 | R | 80.6 | Confident | 75.2 | Confident | 167.2 Ų | 167.2 | 38.9 Ų | 38.9 | 63% | 0.631 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -58.3 | -49.1 | 177.5 | -178.5 | 175.6 | 163.5 | 160.5 | 0.6 | 111.8 | A1632 F1634 I1638 S1639 D1640 | A1632-R1636 VanDerWaalsContact O-CB 3.26Å; A1632-R1636 WeakPolarHBondContact O-CB 3.41Å; A1632-R1636 PolarHBondContact O-N 3.23Å; F1634-R1636 PolarHBondContact O-N 3.15Å; R1636-I1638 PolarHBondContact O-N 2.86Å; R1636-S1639 WeakPolarHBondContact CA-OG 3.49Å; R1636-S1639 PolarHBondContact O-N 3.03Å; R1636-S1639 PolarHBondContact O-OG 2.54Å; R1636-D1640 IonicContact NE-OD2 3.38Å; R1636-D1640 VanDerWaalsContact O-CB 3.31Å; R1636-D1640 WeakPolarHBondContact O-CB 3.35Å; R1636-D1640 VanDerWaalsContact O-CG 3.22Å; R1636-D1640 PolarHBondContact O-N 3.02Å |
| 1637 | S | 79.9 | Confident | 75.5 | Confident | 22 Ų | 22 | 37.5 Ų | 37.5 | 15% | 0.154 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -44 | -177 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | T1498 L1633 F1634 N1635 D1640 Y1641 | T1498-S1637 VanDerWaalsContact CG2-CB 3.49Å; T1498-S1637 WeakPolarHBondContact CG2-OG 3.33Å; L1633-S1637 VanDerWaalsContact O-CB 3.24Å; L1633-S1637 WeakPolarHBondContact O-CB 3.37Å; L1633-S1637 PolarHBondContact O-N 3.13Å; L1633-S1637 PolarHBondContact O-OG 3.15Å; F1634-S1637 PolarHBondContact O-N 3.13Å; F1634-S1637 PolarHBondContact O-OG 3.15Å; N1635-S1637 VanDerWaalsContact C-N 3.32Å; N1635-S1637 PolarHBondContact O-N 3.22Å; S1637-D1640 PolarHBondContact O-N 3.18Å; S1637-Y1641 WeakPolarHBondContact O-CD2 3.43Å; S1637-Y1641 WeakPolarHBondContact O-CE2 3.39Å; S1637-Y1641 PolarHBondContact O-N 3.15Å; S1637-Y1641 VanDerWaalsContact O-N 3.15Å |
| 1638 | I | 81 | Confident | 75.3 | Confident | 0.2 Ų | 0.2 | 40.6 Ų | 40.6 | 0% | 0.001 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | 177.6 | -63.7 | 176.3 | 0 | 0 | 0 | 110.5 | I1501 F1634 N1635 R1636 D1640 Y1641 I1642 L1689 I1692 L1693 | I1501-I1638 HydrophobicContact CD1-CD1 4.35Å; I1501-I1638 HydrophobicContact CD1-CG1 4.13Å; F1634-I1638 HydrophobicContact CD1-CD1 3.78Å; F1634-I1638 HydrophobicContact CD2-CD1 4.11Å; F1634-I1638 HydrophobicContact CE1-CD1 3.35Å; F1634-I1638 HydrophobicContact CE2-CD1 3.72Å; F1634-I1638 HydrophobicContact CE2-CG1 4.49Å; F1634-I1638 HydrophobicContact CG-CD1 4.17Å; F1634-I1638 HydrophobicContact CZ-CD1 3.34Å; F1634-I1638 VanDerWaalsContact CZ-CD1 3.41Å; F1634-I1638 WeakPolarHBondContact O-CG1 3.4Å; F1634-I1638 PolarHBondContact O-N 3.21Å; N1635-I1638 PolarHBondContact O-N 3.23Å; R1636-I1638 PolarHBondContact O-N 2.86Å; I1638-D1640 VanDerWaalsContact C-N 3.34Å; I1638-D1640 PolarHBondContact O-N 3.06Å; I1638-Y1641 WeakPolarHBondContact O-CB 3.21Å; I1638-Y1641 PolarHBondContact O-N 3.27Å; I1638-I1642 HydrophobicContact CG2-CD1 3.99Å; I1638-I1642 HydrophobicContact CG2-CG1 4.44Å; I1638-I1642 WeakPolarHBondContact O-CG1 3.13Å; I1638-I1642 PolarHBondContact O-N 3.21Å; I1638-L1689 HydrophobicContact CG2-CB 4.09Å; I1638-L1689 HydrophobicContact CG2-CD2 4.33Å; I1638-I1692 HydrophobicContact CD1-CG2 4.06Å; I1638-L1693 HydrophobicContact CB-CD1 4.11Å; I1638-L1693 HydrophobicContact CB-CD2 4.12Å; I1638-L1693 HydrophobicContact CB-CG 3.82Å; I1638-L1693 HydrophobicContact CD1-CD1 4.43Å; I1638-L1693 HydrophobicContact CD1-CG 4.35Å; I1638-L1693 HydrophobicContact CG2-CB 4.31Å; I1638-L1693 HydrophobicContact CG2-CD1 3.79Å; I1638-L1693 HydrophobicContact CG2-CD2 4.45Å; I1638-L1693 HydrophobicContact CG2-CG 4.04Å |
| 1639 | S | 82.1 | Confident | 74.9 | Confident | 0.8 Ų | 0.8 | 41.6 Ų | 41.6 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 175.5 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | N1635 R1636 Y1641 I1642 I1643 P1720 | N1635-S1639 VanDerWaalsContact O-CB 3.26Å; N1635-S1639 WeakPolarHBondContact O-CB 3.24Å; N1635-S1639 PolarHBondContact O-N 3.19Å; N1635-S1639 PolarHBondContact O-OG 3Å; N1635-S1639 VanDerWaalsContact O-OG 3.06Å; R1636-S1639 WeakPolarHBondContact CA-OG 3.49Å; R1636-S1639 PolarHBondContact O-N 3.03Å; R1636-S1639 PolarHBondContact O-OG 2.54Å; S1639-Y1641 VanDerWaalsContact C-N 3.31Å; S1639-Y1641 PolarHBondContact O-N 3.17Å; S1639-I1642 PolarHBondContact O-N 3.16Å; S1639-I1643 WeakPolarHBondContact O-CB 3.47Å; S1639-I1643 WeakPolarHBondContact O-CD1 3.32Å; S1639-I1643 VanDerWaalsContact O-CG1 3.26Å; S1639-I1643 WeakPolarHBondContact O-CG1 3.34Å; S1639-I1643 PolarHBondContact O-N 2.97Å; S1639-P1720 VanDerWaalsContact OG-CB 3.27Å; S1639-P1720 WeakPolarHBondContact OG-CB 3.38Å |
| 1640 | D | 81.6 | Confident | 73.6 | Confident | 59.2 Ų | 59.2 | 40.8 Ų | 40.8 | 32% | 0.317 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.4 | -36.8 | 176.6 | -73.8 | -17.7 | 0 | 0 | 0 | 112 | R1636 S1637 I1638 I1643 R1644 | R1636-D1640 IonicContact NE-OD2 3.38Å; R1636-D1640 VanDerWaalsContact O-CB 3.31Å; R1636-D1640 WeakPolarHBondContact O-CB 3.35Å; R1636-D1640 VanDerWaalsContact O-CG 3.22Å; R1636-D1640 PolarHBondContact O-N 3.02Å; S1637-D1640 PolarHBondContact O-N 3.18Å; I1638-D1640 VanDerWaalsContact C-N 3.34Å; I1638-D1640 PolarHBondContact O-N 3.06Å; D1640-I1643 PolarHBondContact O-N 3.28Å; D1640-R1644 VanDerWaalsContact O-CG 3.31Å; D1640-R1644 WeakPolarHBondContact O-CG 3.38Å; D1640-R1644 PolarHBondContact O-N 3.1Å; D1640-R1644 VanDerWaalsContact O-N 3.09Å |
| 1641 | Y | 79.7 | Confident | 72.6 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.5 | -44 | 175 | -85.7 | -62 | 0 | 0 | 0 | 112.5 | T1498 I1501 K1502 I1505 S1637 I1638 S1639 I1643 R1644 I1645 L1685 L1689 | T1498-Y1641 HydrophobicContact CG2-CE2 4.42Å; I1501-Y1641 HydrophobicContact CB-CD2 4.25Å; I1501-Y1641 HydrophobicContact CB-CE2 4.31Å; I1501-Y1641 HydrophobicContact CD1-CD2 4.44Å; I1501-Y1641 HydrophobicContact CG2-CD1 4.28Å; I1501-Y1641 HydrophobicContact CG2-CD2 3.6Å; I1501-Y1641 VanDerWaalsContact CG2-CD2 3.43Å; I1501-Y1641 HydrophobicContact CG2-CE2 4.04Å; I1501-Y1641 HydrophobicContact CG2-CG 3.86Å; K1502-Y1641 WeakPolarHBondContact CE-OH 3.37Å; K1502-Y1641 HydrophobicContact CG-CE1 4.15Å; K1502-Y1641 WeakPolarHBondContact CG-OH 3.36Å; I1505-Y1641 VanDerWaalsContact CD1-CB 3.42Å; I1505-Y1641 HydrophobicContact CD1-CD1 3.14Å; I1505-Y1641 HydrophobicContact CD1-CD2 4.31Å; I1505-Y1641 HydrophobicContact CD1-CE1 3.8Å; I1505-Y1641 HydrophobicContact CD1-CG 3.76Å; I1505-Y1641 HydrophobicContact CG1-CD1 4.44Å; S1637-Y1641 WeakPolarHBondContact O-CD2 3.43Å; S1637-Y1641 WeakPolarHBondContact O-CE2 3.39Å; S1637-Y1641 PolarHBondContact O-N 3.15Å; S1637-Y1641 VanDerWaalsContact O-N 3.15Å; I1638-Y1641 WeakPolarHBondContact O-CB 3.21Å; I1638-Y1641 PolarHBondContact O-N 3.27Å; S1639-Y1641 VanDerWaalsContact C-N 3.31Å; S1639-Y1641 PolarHBondContact O-N 3.17Å; Y1641-I1643 VanDerWaalsContact C-N 3.29Å; Y1641-I1643 PolarHBondContact O-N 3.21Å; Y1641-R1644 PolarHBondContact O-N 2.99Å; Y1641-R1644 VanDerWaalsContact O-N 3.12Å; Y1641-I1645 HydrophobicContact CD1-CD1 3.67Å; Y1641-I1645 HydrophobicContact CD1-CG1 4.43Å; Y1641-I1645 HydrophobicContact CE1-CD1 3.21Å; Y1641-I1645 HydrophobicContact CE1-CG1 4.05Å; Y1641-I1645 HydrophobicContact CE2-CD1 4.4Å; Y1641-I1645 HydrophobicContact CE2-CG1 4.39Å; Y1641-I1645 HydrophobicContact CG-CD1 4.45Å; Y1641-I1645 VanDerWaalsContact O-CG1 3.3Å; Y1641-I1645 WeakPolarHBondContact O-CG1 3.27Å; Y1641-I1645 PolarHBondContact O-N 2.97Å; Y1641-L1685 HydrophobicContact CE1-CD2 3.67Å; Y1641-L1685 HydrophobicContact CE1-CG 4.43Å; Y1641-L1685 VanDerWaalsContact OH-CD2 3.23Å; Y1641-L1685 WeakPolarHBondContact OH-CD2 3.18Å; Y1641-L1689 HydrophobicContact CD1-CD1 3.33Å; Y1641-L1689 HydrophobicContact CE1-CD1 3.46Å; Y1641-L1689 VanDerWaalsContact CE1-CD1 3.46Å |
| 1642 | I | 81.2 | Confident | 71.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 175.6 | -67.3 | 169.2 | 0 | 0 | 0 | 110.2 | I1638 S1639 R1644 I1645 H1646 L1689 L1690 L1693 F1724 I1727 | I1638-I1642 HydrophobicContact CG2-CD1 3.99Å; I1638-I1642 HydrophobicContact CG2-CG1 4.44Å; I1638-I1642 WeakPolarHBondContact O-CG1 3.13Å; I1638-I1642 PolarHBondContact O-N 3.21Å; S1639-I1642 PolarHBondContact O-N 3.16Å; I1642-R1644 VanDerWaalsContact C-N 3.32Å; I1642-R1644 PolarHBondContact O-N 3.03Å; I1642-I1645 PolarHBondContact O-N 3.12Å; I1642-H1646 PolarHBondContact O-CD2 3.29Å; I1642-H1646 PolarHBondContact O-N 3.1Å; I1642-H1646 VanDerWaalsContact O-N 3.11Å; I1642-L1689 HydrophobicContact CD1-CB 3.94Å; I1642-L1689 HydrophobicContact CG1-CB 4.1Å; I1642-L1689 HydrophobicContact CG1-CD1 4.03Å; I1642-L1690 HydrophobicContact CD1-CD2 3.84Å; I1642-L1690 HydrophobicContact CD1-CG 4.13Å; I1642-L1693 HydrophobicContact CD1-CD1 3.52Å; I1642-F1724 HydrophobicContact CB-CD2 4.2Å; I1642-F1724 HydrophobicContact CB-CE2 4.11Å; I1642-F1724 HydrophobicContact CD1-CD2 4.46Å; I1642-F1724 HydrophobicContact CD1-CE2 3.65Å; I1642-F1724 HydrophobicContact CD1-CZ 4.42Å; I1642-F1724 HydrophobicContact CG1-CE2 4.45Å; I1642-F1724 HydrophobicContact CG2-CD2 4.13Å; I1642-F1724 HydrophobicContact CG2-CE2 3.97Å; I1642-I1727 HydrophobicContact CG2-CG2 4.42Å |
| 1643 | I | 80.7 | Confident | 70 | Confident | 16.6 Ų | 16.6 | 55.9 Ų | 55.9 | 9% | 0.085 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 174.1 | -70.3 | 163.2 | 0 | 0 | 0 | 111.2 | S1639 D1640 Y1641 H1646 S1647 S1721 K1723 F1724 I1727 | S1639-I1643 WeakPolarHBondContact O-CB 3.47Å; S1639-I1643 WeakPolarHBondContact O-CD1 3.32Å; S1639-I1643 VanDerWaalsContact O-CG1 3.26Å; S1639-I1643 WeakPolarHBondContact O-CG1 3.34Å; S1639-I1643 PolarHBondContact O-N 2.97Å; D1640-I1643 PolarHBondContact O-N 3.28Å; Y1641-I1643 VanDerWaalsContact C-N 3.29Å; Y1641-I1643 PolarHBondContact O-N 3.21Å; I1643-H1646 CarbonylContact O-C 3.51Å; I1643-H1646 PolarHBondContact O-N 3.05Å; I1643-S1647 WeakPolarHBondContact O-CA 3.41Å; I1643-S1647 VanDerWaalsContact O-CB 3.28Å; I1643-S1647 WeakPolarHBondContact O-CB 3.36Å; I1643-S1647 PolarHBondContact O-N 3.19Å; I1643-S1647 PolarHBondContact O-OG 2.6Å; I1643-S1721 VanDerWaalsContact CD1-OG 3.27Å; I1643-S1721 WeakPolarHBondContact CD1-OG 3.44Å; I1643-K1723 HydrophobicContact CD1-CB 4.19Å; I1643-K1723 HydrophobicContact CD1-CG 4.38Å; I1643-K1723 HydrophobicContact CG1-CG 4.35Å; I1643-K1723 HydrophobicContact CG2-CD 3.78Å; I1643-K1723 HydrophobicContact CG2-CG 4.3Å; I1643-F1724 HydrophobicContact CD1-CB 3.91Å; I1643-F1724 HydrophobicContact CG1-CB 4.11Å; I1643-I1727 HydrophobicContact CB-CD1 4.28Å; I1643-I1727 HydrophobicContact CG1-CD1 3.97Å; I1643-I1727 HydrophobicContact CG2-CD1 4.37Å |
| 1644 | R | 76.4 | Confident | 68.3 | Low | 146 Ų | 146 | 55.3 Ų | 55.3 | 55% | 0.551 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | 178.6 | -77.6 | 178.7 | -158 | -164.5 | -0.4 | 112.4 | D1640 Y1641 I1642 H1646 S1647 | D1640-R1644 VanDerWaalsContact O-CG 3.31Å; D1640-R1644 WeakPolarHBondContact O-CG 3.38Å; D1640-R1644 PolarHBondContact O-N 3.1Å; D1640-R1644 VanDerWaalsContact O-N 3.09Å; Y1641-R1644 PolarHBondContact O-N 2.99Å; Y1641-R1644 VanDerWaalsContact O-N 3.12Å; I1642-R1644 VanDerWaalsContact C-N 3.32Å; I1642-R1644 PolarHBondContact O-N 3.03Å; R1644-H1646 VanDerWaalsContact C-N 3.3Å; R1644-H1646 PolarHBondContact O-N 3.09Å; R1644-S1647 PolarHBondContact O-N 3.3Å; R1644-S1647 PolarHBondContact O-OG 2.95Å; R1644-S1647 VanDerWaalsContact O-OG 3.08Å |
| 1645 | I | 74.3 | Confident | 66.7 | Low | 32.4 Ų | 32.4 | 58.6 Ų | 58.6 | 17% | 0.166 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 177.8 | -68.5 | 165.3 | 0 | 0 | 0 | 110.5 | I1505 Y1641 I1642 T1681 L1685 L1689 | I1505-I1645 HydrophobicContact CD1-CD1 4.35Å; I1505-I1645 HydrophobicContact CG1-CD1 4.47Å; Y1641-I1645 HydrophobicContact CD1-CD1 3.67Å; Y1641-I1645 HydrophobicContact CD1-CG1 4.43Å; Y1641-I1645 HydrophobicContact CE1-CD1 3.21Å; Y1641-I1645 HydrophobicContact CE1-CG1 4.05Å; Y1641-I1645 HydrophobicContact CE2-CD1 4.4Å; Y1641-I1645 HydrophobicContact CE2-CG1 4.39Å; Y1641-I1645 HydrophobicContact CG-CD1 4.45Å; Y1641-I1645 VanDerWaalsContact O-CG1 3.3Å; Y1641-I1645 WeakPolarHBondContact O-CG1 3.27Å; Y1641-I1645 PolarHBondContact O-N 2.97Å; I1642-I1645 PolarHBondContact O-N 3.12Å; I1645-T1681 HydrophobicContact CG2-CG2 4.32Å; I1645-L1685 HydrophobicContact CD1-CD2 3.97Å; I1645-L1685 HydrophobicContact CD1-CG 4.24Å; I1645-L1689 HydrophobicContact CD1-CD1 3.97Å |
| 1646 | H | 75.2 | Confident | 64.8 | Low | 11 Ų | 11 | 65.3 Ų | 65.3 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 7.3 | -175.5 | -67.8 | -74.7 | 0 | 0 | 0 | 114.1 | I1642 I1643 R1644 N1648 D1649 Y1650 W1683 T1686 I1727 | I1642-H1646 PolarHBondContact O-CD2 3.29Å; I1642-H1646 PolarHBondContact O-N 3.1Å; I1642-H1646 VanDerWaalsContact O-N 3.11Å; I1643-H1646 CarbonylContact O-C 3.51Å; I1643-H1646 PolarHBondContact O-N 3.05Å; R1644-H1646 VanDerWaalsContact C-N 3.3Å; R1644-H1646 PolarHBondContact O-N 3.09Å; H1646-N1648 VanDerWaalsContact C-N 3.35Å; H1646-N1648 PolarHBondContact O-N 3.19Å; H1646-D1649 IonicContact ND1-OD2 2.93Å; H1646-D1649 PolarHBondContact ND1-OD2 3.01Å; H1646-D1649 VanDerWaalsContact ND1-OD2 3.07Å; H1646-D1649 PolarHBondContact O-N 3.21Å; H1646-Y1650 WeakPolarHBondContact O-CB 3.27Å; H1646-Y1650 PolarHBondContact O-N 3.18Å; H1646-W1683 AromaticContact CE1-CZ3 3.75Å; H1646-T1686 WeakPolarHBondContact NE2-CG2 3.42Å; H1646-T1686 PolarHBondContact NE2-OG1 3.14Å; H1646-T1686 VanDerWaalsContact NE2-OG1 3.09Å; H1646-I1727 HydrophobicContact CB-CD1 4.37Å; H1646-I1727 HydrophobicContact CB-CG2 3.92Å |
| 1647 | S | 69.3 | Low | 62.8 | Low | 30.2 Ų | 30.2 | 62.4 Ų | 62.4 | 21% | 0.211 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.4 | -34.2 | -176.2 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | I1643 R1644 Y1650 Q1651 | I1643-S1647 WeakPolarHBondContact O-CA 3.41Å; I1643-S1647 VanDerWaalsContact O-CB 3.28Å; I1643-S1647 WeakPolarHBondContact O-CB 3.36Å; I1643-S1647 PolarHBondContact O-N 3.19Å; I1643-S1647 PolarHBondContact O-OG 2.6Å; R1644-S1647 PolarHBondContact O-N 3.3Å; R1644-S1647 PolarHBondContact O-OG 2.95Å; R1644-S1647 VanDerWaalsContact O-OG 3.08Å; S1647-Y1650 WeakPolarHBondContact O-CB 3.46Å; S1647-Y1650 PolarHBondContact O-N 3.25Å; S1647-Q1651 PolarHBondContact O-N 3.04Å; S1647-Q1651 VanDerWaalsContact O-N 3.12Å |
| 1648 | N | 60 | Low | 60.5 | Low | 103 Ų | 103 | 67.4 Ų | 67.4 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.1 | -44.4 | 177.4 | -69.2 | -6.3 | 0 | 0 | 0 | 110.7 | H1646 Y1650 Q1651 Q1652 | H1646-N1648 VanDerWaalsContact C-N 3.35Å; H1646-N1648 PolarHBondContact O-N 3.19Å; N1648-Y1650 VanDerWaalsContact C-N 3.27Å; N1648-Y1650 PolarHBondContact O-N 3.16Å; N1648-Q1651 PolarHBondContact O-N 3.11Å; N1648-Q1652 PolarHBondContact O-N 3.01Å |
| 1649 | D | 54.9 | Low | 58 | Low | 76.2 Ų | 76.2 | 70.4 Ų | 70.4 | 41% | 0.407 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 174.2 | -58.2 | -16.7 | 0 | 0 | 0 | 111.1 | H1646 Q1651 Q1652 L1653 | H1646-D1649 IonicContact ND1-OD2 2.93Å; H1646-D1649 PolarHBondContact ND1-OD2 3.01Å; H1646-D1649 VanDerWaalsContact ND1-OD2 3.07Å; H1646-D1649 PolarHBondContact O-N 3.21Å; D1649-Q1651 PolarHBondContact O-N 2.98Å; D1649-Q1652 PolarHBondContact O-N 2.91Å; D1649-L1653 WeakPolarHBondContact O-CB 3.34Å; D1649-L1653 PolarHBondContact O-N 2.96Å |
| 1650 | Y | 44.6 | Very low | 55.4 | Low | 42.6 Ų | 42.6 | 74.9 Ų | 74.9 | 17% | 0.167 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.3 | -36.8 | 178.5 | -167.2 | -87.4 | 0 | 0 | 0 | 113.2 | H1646 S1647 N1648 L1653 N1654 K1723 Q1726 I1727 K1730 | H1646-Y1650 WeakPolarHBondContact O-CB 3.27Å; H1646-Y1650 PolarHBondContact O-N 3.18Å; S1647-Y1650 WeakPolarHBondContact O-CB 3.46Å; S1647-Y1650 PolarHBondContact O-N 3.25Å; N1648-Y1650 VanDerWaalsContact C-N 3.27Å; N1648-Y1650 PolarHBondContact O-N 3.16Å; Y1650-L1653 WeakPolarHBondContact O-CB 3.4Å; Y1650-L1653 PolarHBondContact O-N 3.27Å; Y1650-L1653 VanDerWaalsContact O-N 3.14Å; Y1650-N1654 WeakPolarHBondContact CE1-ND2 3.35Å; Y1650-N1654 PolarHBondContact O-N 3.28Å; Y1650-N1654 VanDerWaalsContact O-N 3.15Å; Y1650-K1723 HydrophobicContact CE2-CG 4.38Å; Y1650-Q1726 PolarHBondContact OH-OE1 3.08Å; Y1650-I1727 HydrophobicContact CD2-CD1 4.4Å; Y1650-I1727 HydrophobicContact CD2-CG1 4.1Å; Y1650-I1727 HydrophobicContact CE2-CG1 4.22Å; Y1650-K1730 HydrophobicContact CD2-CD 4.47Å; Y1650-K1730 HydrophobicContact CE2-CD 4.43Å |
| 1651 | Q | 49.3 | Very low | 52.8 | Low | 141 Ų | 141 | 80.5 Ų | 80.5 | 66% | 0.659 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.6 | -42.5 | 177.9 | -78.5 | -176.9 | -14.5 | 0 | 0 | 112.2 | S1647 N1648 D1649 L1653 N1654 S1655 | S1647-Q1651 PolarHBondContact O-N 3.04Å; S1647-Q1651 VanDerWaalsContact O-N 3.12Å; N1648-Q1651 PolarHBondContact O-N 3.11Å; D1649-Q1651 PolarHBondContact O-N 2.98Å; Q1651-L1653 VanDerWaalsContact C-N 3.32Å; Q1651-L1653 PolarHBondContact O-N 3.34Å; Q1651-N1654 PolarHBondContact O-N 2.89Å; Q1651-S1655 PolarHBondContact O-N 3.11Å; Q1651-S1655 VanDerWaalsContact O-N 3.11Å; Q1651-S1655 PolarHBondContact O-OG 3.29Å |
| 1652 | Q | 47.2 | Very low | 50.4 | Low | 129.6 Ų | 129.6 | 86.4 Ų | 86.4 | 61% | 0.606 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.7 | -32.2 | 174.8 | -73.6 | -176.1 | -6.7 | 0 | 0 | 112.6 | N1648 D1649 S1655 L1656 | N1648-Q1652 PolarHBondContact O-N 3.01Å; D1649-Q1652 PolarHBondContact O-N 2.91Å; Q1652-S1655 PolarHBondContact O-OG 2.96Å; Q1652-L1656 PolarHBondContact O-N 3.16Å |
| 1653 | L | 40.6 | Very low | 48.1 | Very low | 83.2 Ų | 83.2 | 92.1 Ų | 92.1 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -78.8 | -36.3 | -179.4 | -119.2 | 140.5 | 0 | 0 | 0 | 113.2 | D1649 Y1650 Q1651 S1655 L1656 V1657 K1730 | D1649-L1653 WeakPolarHBondContact O-CB 3.34Å; D1649-L1653 PolarHBondContact O-N 2.96Å; Y1650-L1653 WeakPolarHBondContact O-CB 3.4Å; Y1650-L1653 PolarHBondContact O-N 3.27Å; Y1650-L1653 VanDerWaalsContact O-N 3.14Å; Q1651-L1653 VanDerWaalsContact C-N 3.32Å; Q1651-L1653 PolarHBondContact O-N 3.34Å; L1653-S1655 VanDerWaalsContact C-N 3.32Å; L1653-S1655 PolarHBondContact O-N 3.42Å; L1653-L1656 PolarHBondContact O-N 3.14Å; L1653-L1656 VanDerWaalsContact O-N 3.14Å; L1653-V1657 HydrophobicContact CD2-CG2 4.34Å; L1653-V1657 WeakPolarHBondContact O-CG2 3.1Å; L1653-V1657 PolarHBondContact O-N 3.1Å; L1653-V1657 VanDerWaalsContact O-N 3.17Å; L1653-K1730 HydrophobicContact CD1-CD 3.72Å; L1653-K1730 VanDerWaalsContact CD1-CE 3.5Å |
| 1654 | N | 41.3 | Very low | 45.7 | Very low | 65 Ų | 65 | 100 Ų | 100 | 35% | 0.348 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.2 | -27.8 | 176.3 | -87.2 | 6.1 | 0 | 0 | 0 | 112.7 | Y1650 Q1651 L1656 V1657 N1658 | Y1650-N1654 WeakPolarHBondContact CE1-ND2 3.35Å; Y1650-N1654 PolarHBondContact O-N 3.28Å; Y1650-N1654 VanDerWaalsContact O-N 3.15Å; Q1651-N1654 PolarHBondContact O-N 2.89Å; N1654-L1656 VanDerWaalsContact C-N 3.29Å; N1654-L1656 PolarHBondContact O-N 3.03Å; N1654-V1657 PolarHBondContact O-N 3.04Å; N1654-N1658 WeakPolarHBondContact O-CB 3.36Å; N1654-N1658 PolarHBondContact O-N 3.22Å; N1654-N1658 VanDerWaalsContact O-N 3.08Å |
| 1655 | S | 44.7 | Very low | 43.4 | Very low | 83.4 Ų | 83.4 | 98.1 Ų | 98.1 | 58% | 0.583 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.1 | -30.1 | 171.7 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | Q1651 Q1652 L1653 G1659 | Q1651-S1655 PolarHBondContact O-N 3.11Å; Q1651-S1655 VanDerWaalsContact O-N 3.11Å; Q1651-S1655 PolarHBondContact O-OG 3.29Å; Q1652-S1655 PolarHBondContact O-OG 2.96Å; L1653-S1655 VanDerWaalsContact C-N 3.32Å; L1653-S1655 PolarHBondContact O-N 3.42Å; S1655-G1659 PolarHBondContact O-N 3.31Å |
| 1656 | L | 36.7 | Very low | 41.1 | Very low | 145 Ų | 145 | 102.9 Ų | 102.9 | 76% | 0.759 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -76.1 | -34.7 | 176.7 | -100.5 | 141.4 | 0 | 0 | 0 | 113.1 | Q1652 L1653 N1654 | Q1652-L1656 PolarHBondContact O-N 3.16Å; L1653-L1656 PolarHBondContact O-N 3.14Å; L1653-L1656 VanDerWaalsContact O-N 3.14Å; N1654-L1656 VanDerWaalsContact C-N 3.29Å; N1654-L1656 PolarHBondContact O-N 3.03Å |
| 1657 | V | 37 | Very low | 39 | Very low | 106.8 Ų | 106.8 | 108.2 Ų | 108.2 | 65% | 0.647 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -82.1 | -31 | -179.1 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | L1653 N1654 G1659 | L1653-V1657 HydrophobicContact CD2-CG2 4.34Å; L1653-V1657 WeakPolarHBondContact O-CG2 3.1Å; L1653-V1657 PolarHBondContact O-N 3.1Å; L1653-V1657 VanDerWaalsContact O-N 3.17Å; N1654-V1657 PolarHBondContact O-N 3.04Å; V1657-G1659 VanDerWaalsContact C-N 3.27Å; V1657-G1659 PolarHBondContact O-N 3.17Å; V1657-G1659 VanDerWaalsContact O-N 3.15Å |
| 1658 | N | 32.3 | Very low | 37 | Very low | 126 Ų | 126 | 111.8 Ų | 111.8 | 67% | 0.674 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -94.4 | 32.3 | 176.4 | -69.4 | -8.2 | 0 | 0 | 0 | 112.3 | N1654 S1660 | N1654-N1658 WeakPolarHBondContact O-CB 3.36Å; N1654-N1658 PolarHBondContact O-N 3.22Å; N1654-N1658 VanDerWaalsContact O-N 3.08Å; N1658-S1660 VanDerWaalsContact C-N 3.29Å; N1658-S1660 PolarHBondContact O-N 3.14Å |
| 1659 | G | 28.2 | Very low | 35.5 | Very low | 62.6 Ų | 62.6 | 113.5 Ų | 113.5 | 65% | 0.645 | 65% | 0.646 | S | S | * | * | trans | -70.1 | 68.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1655 V1657 M1661 | S1655-G1659 PolarHBondContact O-N 3.31Å; V1657-G1659 VanDerWaalsContact C-N 3.27Å; V1657-G1659 PolarHBondContact O-N 3.17Å; V1657-G1659 VanDerWaalsContact O-N 3.15Å; G1659-M1661 PolarHBondContact O-N 3.24Å | ||
| 1660 | S | 29 | Very low | 34.2 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | trans | -67.8 | 111.8 | 156.2 | 153.5 | 0 | 0 | 0 | 0 | 107.9 | N1658 N1662 | N1658-S1660 VanDerWaalsContact C-N 3.29Å; N1658-S1660 PolarHBondContact O-N 3.14Å; S1660-N1662 PolarHBondContact O-N 3.2Å; S1660-N1662 VanDerWaalsContact O-N 3.09Å | ||
| 1661 | M | 26.7 | Very low | 33.4 | Very low | 175.8 Ų | 175.8 | 119.8 Ų | 119.8 | 87% | 0.866 | 69% | 0.691 | S | S | * | * | trans | -40.9 | 99.2 | 167.2 | -76.2 | -119.9 | -177.6 | 0 | 0 | 111.5 | G1659 | G1659-M1661 PolarHBondContact O-N 3.24Š| ||
| 1662 | N | 29 | Very low | 32.5 | Very low | 141.8 Ų | 141.8 | 117 Ų | 117 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | trans | -129.6 | 96.7 | 156.5 | -88.9 | -11.8 | 0 | 0 | 0 | 106.7 | S1660 E1664 | S1660-N1662 PolarHBondContact O-N 3.2Å; S1660-N1662 VanDerWaalsContact O-N 3.09Å; N1662-E1664 VanDerWaalsContact C-N 3.26Å; N1662-E1664 PolarHBondContact O-N 3.02Å; N1662-E1664 VanDerWaalsContact O-N 3.09Å | ||
| 1663 | P | 33.5 | Very low | 31.4 | Very low | 118.6 Ų | 118.6 | 117.7 Ų | 117.7 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | -80.3 | 56.8 | 179.8 | 25.3 | -20.7 | 0 | 0 | 0 | 110.5 | ||||
| 1664 | E | 29.3 | Very low | 30.8 | Very low | 183.4 Ų | 183.4 | 120.4 Ų | 120.4 | 86% | 0.857 | 71% | 0.714 | S | S | * | * | trans | -149.9 | 74.4 | 176.7 | -85.8 | -178.2 | -170.4 | 0 | 0 | 110.9 | N1662 | N1662-E1664 VanDerWaalsContact C-N 3.26Å; N1662-E1664 PolarHBondContact O-N 3.02Å; N1662-E1664 VanDerWaalsContact O-N 3.09Å | ||
| 1665 | S | 28.5 | Very low | 30.1 | Very low | 105.2 Ų | 105.2 | 124.9 Ų | 124.9 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -168.6 | 62.4 | 151.8 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | T1667 | S1665-T1667 VanDerWaalsContact C-N 3.32Å; S1665-T1667 PolarHBondContact O-N 3.32Å; S1665-T1667 VanDerWaalsContact O-N 3.07Å | ||
| 1666 | T | 26 | Very low | 29.2 | Very low | 134.2 Ų | 134.2 | 127.8 Ų | 127.8 | 82% | 0.823 | 74% | 0.742 | S | S | * | * | trans | -74.2 | 76.1 | 159.2 | 44.4 | 0 | 0 | 0 | 0 | 109 | T1668 | T1666-T1668 VanDerWaalsContact C-N 3.32Å; T1666-T1668 PolarHBondContact O-N 3.46Å | ||
| 1667 | T | 30.3 | Very low | 28.9 | Very low | 120.8 Ų | 120.8 | 126.7 Ų | 126.7 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | trans | -106.5 | 91.9 | 154.4 | 43.5 | 0 | 0 | 0 | 0 | 107 | S1665 D1669 | S1665-T1667 VanDerWaalsContact C-N 3.32Å; S1665-T1667 PolarHBondContact O-N 3.32Å; S1665-T1667 VanDerWaalsContact O-N 3.07Å; T1667-D1669 VanDerWaalsContact C-N 3.29Å; T1667-D1669 PolarHBondContact O-N 3.13Å; T1667-D1669 VanDerWaalsContact O-N 3.13Å | ||
| 1668 | T | 27.1 | Very low | 28.6 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | -65.5 | 88.3 | 171.1 | 42.2 | 0 | 0 | 0 | 0 | 109.5 | T1666 N1670 | T1666-T1668 VanDerWaalsContact C-N 3.32Å; T1666-T1668 PolarHBondContact O-N 3.46Å; T1668-N1670 VanDerWaalsContact C-N 3.3Å; T1668-N1670 PolarHBondContact O-N 3.14Å; T1668-N1670 VanDerWaalsContact O-N 3.12Å | ||
| 1669 | D | 28.1 | Very low | 28.9 | Very low | 139.6 Ų | 139.6 | 121.4 Ų | 121.4 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | trans | -77.3 | 86.7 | 158.7 | -84.4 | -17.3 | 0 | 0 | 0 | 108.2 | T1667 S1671 | T1667-D1669 VanDerWaalsContact C-N 3.29Å; T1667-D1669 PolarHBondContact O-N 3.13Å; T1667-D1669 VanDerWaalsContact O-N 3.13Å; D1669-S1671 PolarHBondContact O-N 3.02Å | ||
| 1670 | N | 29 | Very low | 29.5 | Very low | 144 Ų | 144 | 123 Ų | 123 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 29 | 176.3 | -85.4 | -18.2 | 0 | 0 | 0 | 113.7 | T1668 | T1668-N1670 VanDerWaalsContact C-N 3.3Å; T1668-N1670 PolarHBondContact O-N 3.14Å; T1668-N1670 VanDerWaalsContact O-N 3.12Å |
| 1671 | S | 28.3 | Very low | 30.5 | Very low | 107.2 Ų | 107.2 | 119.4 Ų | 119.4 | 75% | 0.75 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 6.6 | 177.7 | 65 | 0 | 0 | 0 | 0 | 114.5 | D1669 N1673 | D1669-S1671 PolarHBondContact O-N 3.02Å; S1671-N1673 VanDerWaalsContact C-N 3.3Å; S1671-N1673 PolarHBondContact O-N 3.38Å |
| 1672 | A | 28.7 | Very low | 32.3 | Very low | 82.4 Ų | 82.4 | 112.3 Ų | 112.3 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | trans | -99.4 | 45.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1674 | A1672-N1674 PolarHBondContact O-N 3.02Å; A1672-N1674 VanDerWaalsContact O-N 3.09Å | ||
| 1673 | N | 25.9 | Very low | 34.3 | Very low | 143.4 Ų | 143.4 | 109.1 Ų | 109.1 | 77% | 0.767 | 65% | 0.645 | S | S | * | * | trans | -67.9 | 62.4 | 168.8 | -91.1 | -19.1 | 0 | 0 | 0 | 111.6 | S1671 H1675 | S1671-N1673 VanDerWaalsContact C-N 3.3Å; S1671-N1673 PolarHBondContact O-N 3.38Å; N1673-H1675 VanDerWaalsContact C-N 3.32Å; N1673-H1675 PolarHBondContact O-N 3.05Å | ||
| 1674 | N | 26.8 | Very low | 36.2 | Very low | 140 Ų | 140 | 105.4 Ų | 105.4 | 75% | 0.749 | 62% | 0.622 | S | S | * | * | trans | -64.6 | 69.7 | 167.9 | -79.6 | -21.2 | 0 | 0 | 0 | 112.3 | A1672 N1676 | A1672-N1674 PolarHBondContact O-N 3.02Å; A1672-N1674 VanDerWaalsContact O-N 3.09Å; N1674-N1676 PolarHBondContact O-N 3.04Å | ||
| 1675 | H | 26.7 | Very low | 38.4 | Very low | 159 Ų | 159 | 97.1 Ų | 97.1 | 74% | 0.736 | 58% | 0.583 | S | S | * | * | trans | -72.9 | 74.4 | 160.3 | -75.2 | -56.1 | 0 | 0 | 0 | 111.7 | N1673 D1677 | N1673-H1675 VanDerWaalsContact C-N 3.32Å; N1673-H1675 PolarHBondContact O-N 3.05Å; H1675-D1677 PolarHBondContact O-N 3.24Å; H1675-D1677 VanDerWaalsContact O-N 3.15Å | ||
| 1676 | N | 26.5 | Very low | 40.8 | Very low | 145.2 Ų | 145.2 | 92.1 Ų | 92.1 | 78% | 0.776 | 55% | 0.548 | S | S | * | . | trans | -67.7 | 44.7 | 165.2 | -89.3 | -17.7 | 0 | 0 | 0 | 111.5 | N1674 G1678 | N1674-N1676 PolarHBondContact O-N 3.04Å; N1676-G1678 PolarHBondContact O-N 3.11Å; N1676-G1678 VanDerWaalsContact O-N 3.11Å | ||
| 1677 | D | 29.6 | Very low | 43.4 | Very low | 121.8 Ų | 121.8 | 86.1 Ų | 86.1 | 65% | 0.651 | 51% | 0.512 | S | S | * | . | trans | -80.3 | 62.1 | 165.7 | -73 | -20 | 0 | 0 | 0 | 108.6 | H1675 S1679 | H1675-D1677 PolarHBondContact O-N 3.24Å; H1675-D1677 VanDerWaalsContact O-N 3.15Å; D1677-S1679 PolarHBondContact O-N 3.22Å; D1677-S1679 PolarHBondContact O-OG 3.2Å | ||
| 1678 | G | 31.9 | Very low | 45.7 | Very low | 65.6 Ų | 65.6 | 80.7 Ų | 80.7 | 68% | 0.676 | 48% | 0.479 | S | S | * | . | trans | -69.6 | 60.7 | 162 | 0 | 0 | 0 | 0 | 0 | 109.4 | N1676 S1680 | N1676-G1678 PolarHBondContact O-N 3.11Å; N1676-G1678 VanDerWaalsContact O-N 3.11Å; G1678-S1680 VanDerWaalsContact C-N 3.28Å; G1678-S1680 PolarHBondContact O-N 3.15Å | ||
| 1679 | S | 37.6 | Very low | 48.2 | Very low | 56.6 Ų | 56.6 | 75.7 Ų | 75.7 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | trans | -69.6 | 101.8 | -167.5 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | D1677 T1681 S1682 | D1677-S1679 PolarHBondContact O-N 3.22Å; D1677-S1679 PolarHBondContact O-OG 3.2Å; S1679-T1681 PolarHBondContact O-N 3.15Å; S1679-T1681 PolarHBondContact O-OG1 3.18Å; S1679-T1681 PolarHBondContact OG-OG1 3.35Å; S1679-S1682 PolarHBondContact O-N 2.95Å; S1679-S1682 VanDerWaalsContact O-N 3.16Å; S1679-S1682 PolarHBondContact O-OG 3.38Å | ||
| 1680 | S | 40.2 | Very low | 50.8 | Low | 95 Ų | 95 | 69.1 Ų | 69.1 | 66% | 0.664 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.6 | 8.5 | 166.4 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | G1678 S1682 W1683 | G1678-S1680 VanDerWaalsContact C-N 3.28Å; G1678-S1680 PolarHBondContact O-N 3.15Å; S1680-S1682 VanDerWaalsContact C-N 3.31Å; S1680-S1682 PolarHBondContact O-N 3.31Å; S1680-S1682 VanDerWaalsContact O-N 3.14Å; S1680-W1683 PolarHBondContact O-N 3.32Å |
| 1681 | T | 50 | Low | 53 | Low | 21.2 Ų | 21.2 | 63.3 Ų | 63.3 | 13% | 0.13 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.6 | 15 | 170.1 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | R1551 I1645 S1679 W1683 S1684 | R1551-T1681 VanDerWaalsContact NH2-CB 3.33Å; R1551-T1681 VanDerWaalsContact NH2-CG2 3.26Å; R1551-T1681 PolarHBondContact NH2-OG1 2.93Å; I1645-T1681 HydrophobicContact CG2-CG2 4.32Å; S1679-T1681 PolarHBondContact O-N 3.15Å; S1679-T1681 PolarHBondContact O-OG1 3.18Å; S1679-T1681 PolarHBondContact OG-OG1 3.35Å; T1681-W1683 VanDerWaalsContact C-N 3.29Å; T1681-W1683 PolarHBondContact O-N 3.18Å; T1681-S1684 PolarHBondContact O-OG 2.99Å |
| 1682 | S | 64.4 | Low | 55.1 | Low | 27 Ų | 27 | 59.1 Ų | 59.1 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.1 | 3.3 | -173.5 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | E1555 K1559 S1679 S1680 S1684 L1685 T1686 | E1555-S1682 WeakPolarHBondContact OE1-CB 3.48Å; E1555-S1682 PolarHBondContact OE1-OG 3Å; K1559-S1682 PolarHBondContact NZ-OG 3.24Å; K1559-S1682 VanDerWaalsContact NZ-OG 3.16Å; S1679-S1682 PolarHBondContact O-N 2.95Å; S1679-S1682 VanDerWaalsContact O-N 3.16Å; S1679-S1682 PolarHBondContact O-OG 3.38Å; S1680-S1682 VanDerWaalsContact C-N 3.31Å; S1680-S1682 PolarHBondContact O-N 3.31Å; S1680-S1682 VanDerWaalsContact O-N 3.14Å; S1682-S1684 WeakPolarHBondContact CB-OG 3.36Å; S1682-S1684 PolarHBondContact O-N 3.36Å; S1682-S1684 VanDerWaalsContact O-N 3.08Å; S1682-S1684 PolarHBondContact OG-OG 3.06Å; S1682-L1685 WeakPolarHBondContact O-CA 3.22Å; S1682-L1685 WeakPolarHBondContact O-CB 3.42Å; S1682-L1685 PolarHBondContact O-N 2.96Å; S1682-L1685 VanDerWaalsContact OG-CB 3.22Å; S1682-L1685 WeakPolarHBondContact OG-CB 3.33Å; S1682-L1685 PolarHBondContact OG-N 3.17Å; S1682-L1685 VanDerWaalsContact OG-N 3.16Å; S1682-T1686 VanDerWaalsContact O-CB 3.32Å; S1682-T1686 WeakPolarHBondContact O-CB 3.43Å; S1682-T1686 PolarHBondContact O-N 3.34Å; S1682-T1686 PolarHBondContact O-OG1 3.29Å |
| 1683 | W | 71.9 | Confident | 57.2 | Low | 75 Ų | 75 | 55.2 Ų | 55.2 | 28% | 0.284 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | -178.5 | -65.3 | 114.3 | 0 | 0 | 0 | 112.5 | H1646 S1680 T1681 L1685 T1686 V1687 L1731 Q1736 V1739 | H1646-W1683 AromaticContact CE1-CZ3 3.75Å; S1680-W1683 PolarHBondContact O-N 3.32Å; T1681-W1683 VanDerWaalsContact C-N 3.29Å; T1681-W1683 PolarHBondContact O-N 3.18Å; W1683-L1685 VanDerWaalsContact C-N 3.3Å; W1683-L1685 PolarHBondContact O-N 3.18Å; W1683-T1686 CarbonylContact O-C 3.53Å; W1683-T1686 WeakPolarHBondContact O-CA 3.34Å; W1683-T1686 WeakPolarHBondContact O-CB 3.38Å; W1683-T1686 PolarHBondContact O-N 3.11Å; W1683-T1686 VanDerWaalsContact O-N 3.08Å; W1683-V1687 VanDerWaalsContact O-CG2 3.31Å; W1683-V1687 WeakPolarHBondContact O-CG2 3.35Å; W1683-V1687 PolarHBondContact O-N 3.19Å; W1683-L1731 HydrophobicContact CH2-CD2 4.34Å; W1683-L1731 HydrophobicContact CZ3-CD2 3.84Å; W1683-Q1736 HydrophobicContact CD2-CB 4.24Å; W1683-Q1736 VanDerWaalsContact CD2-CD 3.43Å; W1683-Q1736 HydrophobicContact CD2-CG 3.96Å; W1683-Q1736 HydrophobicContact CE3-CB 4.17Å; W1683-Q1736 HydrophobicContact CE3-CG 4.26Å; W1683-Q1736 HydrophobicContact CG-CB 4.4Å; W1683-Q1736 HydrophobicContact CG-CG 3.98Å; W1683-Q1736 VanDerWaalsContact CG-NE2 3.3Å; W1683-Q1736 HydrophobicContact CH2-CG 4.27Å; W1683-Q1736 HydrophobicContact CZ2-CG 4.22Å; W1683-Q1736 HydrophobicContact CZ3-CG 4.35Å; W1683-V1739 HydrophobicContact CB-CG2 3.87Å; W1683-V1739 HydrophobicContact CD2-CG2 4.15Å; W1683-V1739 HydrophobicContact CE3-CB 4.15Å; W1683-V1739 HydrophobicContact CE3-CG1 3.93Å; W1683-V1739 HydrophobicContact CE3-CG2 3.5Å; W1683-V1739 VanDerWaalsContact CE3-CG2 3.47Å; W1683-V1739 HydrophobicContact CG-CG2 4.32Å; W1683-V1739 HydrophobicContact CZ3-CB 4.42Å; W1683-V1739 HydrophobicContact CZ3-CG1 4.01Å; W1683-V1739 HydrophobicContact CZ3-CG2 4.32Å |
| 1684 | S | 73 | Confident | 59.1 | Low | 41.4 Ų | 41.4 | 51.9 Ų | 51.9 | 29% | 0.29 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -32.8 | 178.4 | 102.9 | 0 | 0 | 0 | 0 | 113.3 | E1555 K1559 T1681 S1682 T1688 | E1555-S1684 PolarHBondContact OE1-OG 3.31Å; E1555-S1684 VanDerWaalsContact OE1-OG 3.09Å; K1559-S1684 WeakPolarHBondContact CE-OG 3.29Å; K1559-S1684 VanDerWaalsContact NZ-CB 3.26Å; K1559-S1684 PolarHBondContact NZ-OG 2.87Å; T1681-S1684 PolarHBondContact O-OG 2.99Å; S1682-S1684 WeakPolarHBondContact CB-OG 3.36Å; S1682-S1684 PolarHBondContact O-N 3.36Å; S1682-S1684 VanDerWaalsContact O-N 3.08Å; S1682-S1684 PolarHBondContact OG-OG 3.06Å; S1684-T1688 WeakPolarHBondContact O-CB 3.27Å; S1684-T1688 PolarHBondContact O-N 3.17Å; S1684-T1688 VanDerWaalsContact O-N 3.1Å; S1684-T1688 PolarHBondContact O-OG1 3.24Å |
| 1685 | L | 76.2 | Confident | 60.7 | Low | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.5 | -45 | 170.1 | -178.4 | 61.8 | 0 | 0 | 0 | 110.9 | L1504 I1505 Y1641 I1645 S1682 W1683 V1687 T1688 L1689 | L1504-L1685 HydrophobicContact CB-CD2 4.22Å; L1504-L1685 HydrophobicContact CD1-CD1 3.56Å; L1504-L1685 HydrophobicContact CD1-CD2 4.21Å; L1504-L1685 HydrophobicContact CD1-CG 4.37Å; I1505-L1685 HydrophobicContact CG1-CD2 4.43Å; Y1641-L1685 HydrophobicContact CE1-CD2 3.67Å; Y1641-L1685 HydrophobicContact CE1-CG 4.43Å; Y1641-L1685 VanDerWaalsContact OH-CD2 3.23Å; Y1641-L1685 WeakPolarHBondContact OH-CD2 3.18Å; I1645-L1685 HydrophobicContact CD1-CD2 3.97Å; I1645-L1685 HydrophobicContact CD1-CG 4.24Å; S1682-L1685 WeakPolarHBondContact O-CA 3.22Å; S1682-L1685 WeakPolarHBondContact O-CB 3.42Å; S1682-L1685 PolarHBondContact O-N 2.96Å; S1682-L1685 VanDerWaalsContact OG-CB 3.22Å; S1682-L1685 WeakPolarHBondContact OG-CB 3.33Å; S1682-L1685 PolarHBondContact OG-N 3.17Å; S1682-L1685 VanDerWaalsContact OG-N 3.16Å; W1683-L1685 VanDerWaalsContact C-N 3.3Å; W1683-L1685 PolarHBondContact O-N 3.18Å; L1685-V1687 VanDerWaalsContact C-N 3.31Å; L1685-V1687 PolarHBondContact O-N 3.16Å; L1685-T1688 WeakPolarHBondContact O-CB 3.33Å; L1685-T1688 PolarHBondContact O-N 2.96Å; L1685-T1688 VanDerWaalsContact O-N 3.11Å; L1685-L1689 HydrophobicContact CD1-CD1 4.21Å; L1685-L1689 HydrophobicContact CD1-CD2 4.43Å; L1685-L1689 HydrophobicContact CD1-CG 4.11Å; L1685-L1689 HydrophobicContact CD2-CD1 4.49Å; L1685-L1689 HydrophobicContact CG-CD1 4.03Å; L1685-L1689 HydrophobicContact CG-CG 4.31Å; L1685-L1689 WeakPolarHBondContact O-CB 3.18Å; L1685-L1689 VanDerWaalsContact O-CG 3.29Å; L1685-L1689 WeakPolarHBondContact O-CG 3.27Å; L1685-L1689 PolarHBondContact O-N 3.16Å |
| 1686 | T | 79.1 | Confident | 62 | Low | 0.2 Ų | 0.2 | 39 Ų | 39 | 0% | 0.001 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.4 | -45.3 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | H1646 S1682 W1683 T1688 L1689 L1690 L1731 V1739 | H1646-T1686 WeakPolarHBondContact NE2-CG2 3.42Å; H1646-T1686 PolarHBondContact NE2-OG1 3.14Å; H1646-T1686 VanDerWaalsContact NE2-OG1 3.09Å; S1682-T1686 VanDerWaalsContact O-CB 3.32Å; S1682-T1686 WeakPolarHBondContact O-CB 3.43Å; S1682-T1686 PolarHBondContact O-N 3.34Å; S1682-T1686 PolarHBondContact O-OG1 3.29Å; W1683-T1686 CarbonylContact O-C 3.53Å; W1683-T1686 WeakPolarHBondContact O-CA 3.34Å; W1683-T1686 WeakPolarHBondContact O-CB 3.38Å; W1683-T1686 PolarHBondContact O-N 3.11Å; W1683-T1686 VanDerWaalsContact O-N 3.08Å; T1686-T1688 VanDerWaalsContact C-N 3.35Å; T1686-T1688 PolarHBondContact O-N 3.35Å; T1686-L1689 PolarHBondContact O-N 3.14Å; T1686-L1690 HydrophobicContact CG2-CD1 3.89Å; T1686-L1690 HydrophobicContact CG2-CG 4.34Å; T1686-L1690 WeakPolarHBondContact O-CB 3.37Å; T1686-L1690 VanDerWaalsContact O-CG 3.32Å; T1686-L1690 WeakPolarHBondContact O-CG 3.25Å; T1686-L1690 PolarHBondContact O-N 3.19Å; T1686-L1731 HydrophobicContact CG2-CD1 4Å; T1686-V1739 HydrophobicContact CG2-CG1 4.21Å |
| 1687 | V | 80.2 | Confident | 63 | Low | 9.4 Ų | 9.4 | 33.7 Ų | 33.7 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.3 | -51.9 | 172.7 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | W1683 L1685 L1689 L1690 E1691 E1738 V1739 T1742 | W1683-V1687 VanDerWaalsContact O-CG2 3.31Å; W1683-V1687 WeakPolarHBondContact O-CG2 3.35Å; W1683-V1687 PolarHBondContact O-N 3.19Å; L1685-V1687 VanDerWaalsContact C-N 3.31Å; L1685-V1687 PolarHBondContact O-N 3.16Å; V1687-L1689 VanDerWaalsContact C-N 3.3Å; V1687-L1689 PolarHBondContact O-N 3.17Å; V1687-L1690 PolarHBondContact O-N 3.34Å; V1687-E1691 HydrophobicContact CG1-CG 4.32Å; V1687-E1691 WeakPolarHBondContact CG1-OE2 3.22Å; V1687-E1691 WeakPolarHBondContact O-CB 3.37Å; V1687-E1691 VanDerWaalsContact O-CG 3.25Å; V1687-E1691 WeakPolarHBondContact O-CG 3.39Å; V1687-E1691 PolarHBondContact O-N 3.2Å; V1687-E1738 HydrophobicContact CG1-CB 4.38Å; V1687-E1738 HydrophobicContact CG2-CB 3.79Å; V1687-V1739 HydrophobicContact CG2-CB 4.27Å; V1687-V1739 HydrophobicContact CG2-CG2 3.56Å; V1687-V1739 VanDerWaalsContact CG2-CG2 3.49Å; V1687-T1742 HydrophobicContact CG1-CG2 3.99Å |
| 1688 | T | 77.7 | Confident | 63.5 | Low | 7.2 Ų | 7.2 | 30.4 Ų | 30.4 | 4% | 0.044 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | -179.2 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | K1559 L1562 S1684 L1685 T1686 E1691 I1692 | K1559-T1688 HydrophobicContact CG-CG2 4.36Å; L1562-T1688 HydrophobicContact CB-CG2 3.83Å; L1562-T1688 HydrophobicContact CD1-CG2 3.83Å; L1562-T1688 HydrophobicContact CG-CG2 4.44Å; S1684-T1688 WeakPolarHBondContact O-CB 3.27Å; S1684-T1688 PolarHBondContact O-N 3.17Å; S1684-T1688 VanDerWaalsContact O-N 3.1Å; S1684-T1688 PolarHBondContact O-OG1 3.24Å; L1685-T1688 WeakPolarHBondContact O-CB 3.33Å; L1685-T1688 PolarHBondContact O-N 2.96Å; L1685-T1688 VanDerWaalsContact O-N 3.11Å; T1686-T1688 VanDerWaalsContact C-N 3.35Å; T1686-T1688 PolarHBondContact O-N 3.35Å; T1688-E1691 PolarHBondContact O-N 3.16Å; T1688-I1692 HydrophobicContact CG2-CD1 3.97Å; T1688-I1692 WeakPolarHBondContact O-CB 3.36Å; T1688-I1692 WeakPolarHBondContact O-CD1 3.36Å; T1688-I1692 VanDerWaalsContact O-CG1 3.3Å; T1688-I1692 WeakPolarHBondContact O-CG1 3.4Å; T1688-I1692 PolarHBondContact O-N 3.01Å; T1688-I1692 VanDerWaalsContact O-N 3.15Å |
| 1689 | L | 81.3 | Confident | 63.8 | Low | 0.2 Ų | 0.2 | 31.5 Ų | 31.5 | 0% | 0.001 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.4 | -43.1 | 179.3 | -67.5 | 174.8 | 0 | 0 | 0 | 112.3 | I1501 L1562 I1638 Y1641 I1642 I1645 L1685 T1686 V1687 E1691 I1692 L1693 | I1501-L1689 HydrophobicContact CB-CD2 4.45Å; I1501-L1689 HydrophobicContact CD1-CD2 3.58Å; I1501-L1689 HydrophobicContact CG1-CD2 3.84Å; I1501-L1689 HydrophobicContact CG2-CD2 4.04Å; L1562-L1689 HydrophobicContact CD1-CD2 4.42Å; I1638-L1689 HydrophobicContact CG2-CB 4.09Å; I1638-L1689 HydrophobicContact CG2-CD2 4.33Å; Y1641-L1689 HydrophobicContact CD1-CD1 3.33Å; Y1641-L1689 HydrophobicContact CE1-CD1 3.46Å; Y1641-L1689 VanDerWaalsContact CE1-CD1 3.46Å; I1642-L1689 HydrophobicContact CD1-CB 3.94Å; I1642-L1689 HydrophobicContact CG1-CB 4.1Å; I1642-L1689 HydrophobicContact CG1-CD1 4.03Å; I1645-L1689 HydrophobicContact CD1-CD1 3.97Å; L1685-L1689 HydrophobicContact CD1-CD1 4.21Å; L1685-L1689 HydrophobicContact CD1-CD2 4.43Å; L1685-L1689 HydrophobicContact CD1-CG 4.11Å; L1685-L1689 HydrophobicContact CD2-CD1 4.49Å; L1685-L1689 HydrophobicContact CG-CD1 4.03Å; L1685-L1689 HydrophobicContact CG-CG 4.31Å; L1685-L1689 WeakPolarHBondContact O-CB 3.18Å; L1685-L1689 VanDerWaalsContact O-CG 3.29Å; L1685-L1689 WeakPolarHBondContact O-CG 3.27Å; L1685-L1689 PolarHBondContact O-N 3.16Å; T1686-L1689 PolarHBondContact O-N 3.14Å; V1687-L1689 VanDerWaalsContact C-N 3.3Å; V1687-L1689 PolarHBondContact O-N 3.17Å; L1689-E1691 VanDerWaalsContact C-N 3.31Å; L1689-E1691 PolarHBondContact O-N 3.14Å; L1689-I1692 PolarHBondContact O-N 3.18Å; L1689-L1693 VanDerWaalsContact O-CB 3.3Å; L1689-L1693 WeakPolarHBondContact O-CB 3.35Å; L1689-L1693 PolarHBondContact O-N 3.04Å |
| 1690 | L | 81.3 | Confident | 63.9 | Low | 2.2 Ų | 2.2 | 32.3 Ų | 32.3 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -34.7 | 175 | -72.4 | 172.6 | 0 | 0 | 0 | 112 | I1642 T1686 V1687 I1692 L1693 F1724 L1731 T1742 A1743 R1745 C1746 | I1642-L1690 HydrophobicContact CD1-CD2 3.84Å; I1642-L1690 HydrophobicContact CD1-CG 4.13Å; T1686-L1690 HydrophobicContact CG2-CD1 3.89Å; T1686-L1690 HydrophobicContact CG2-CG 4.34Å; T1686-L1690 WeakPolarHBondContact O-CB 3.37Å; T1686-L1690 VanDerWaalsContact O-CG 3.32Å; T1686-L1690 WeakPolarHBondContact O-CG 3.25Å; T1686-L1690 PolarHBondContact O-N 3.19Å; V1687-L1690 PolarHBondContact O-N 3.34Å; L1690-I1692 VanDerWaalsContact C-N 3.3Å; L1690-I1692 PolarHBondContact O-N 3.15Å; L1690-L1693 PolarHBondContact O-N 2.97Å; L1690-F1724 HydrophobicContact CD2-CE2 4.22Å; L1690-F1724 HydrophobicContact CD2-CZ 4.01Å; L1690-L1731 HydrophobicContact CD1-CD1 4.31Å; L1690-T1742 HydrophobicContact CB-CG2 3.37Å; L1690-T1742 HydrophobicContact CD1-CG2 4.49Å; L1690-A1743 HydrophobicContact CD1-CB 4.14Å; L1690-R1745 PolarHBondContact O-NH2 3.05Å; L1690-C1746 HydrophobicContact CD2-CB 4.29Å |
| 1691 | E | 76.2 | Confident | 63.7 | Low | 21.2 Ų | 21.2 | 33.6 Ų | 33.6 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.6 | -29.2 | 176.6 | -75.8 | -177.4 | 143.8 | 0 | 0 | 113.3 | H1563 K1566 V1687 T1688 L1689 R1694 T1742 R1745 R1953 | H1563-E1691 IonicContact CE1-OE2 2.88Å; H1563-E1691 PolarHBondContact CE1-OE2 3.13Å; H1563-E1691 VanDerWaalsContact CE1-OE2 3.28Å; H1563-E1691 IonicContact ND1-OE2 3Å; H1563-E1691 PolarHBondContact ND1-OE2 3.49Å; H1563-E1691 VanDerWaalsContact ND1-OE2 3.13Å; K1566-E1691 VanDerWaalsContact CE-CD 3.4Å; K1566-E1691 VanDerWaalsContact CE-OE2 3.29Å; K1566-E1691 WeakPolarHBondContact CE-OE2 3.39Å; K1566-E1691 IonicContact NZ-OE1 3.56Å; K1566-E1691 PolarHBondContact NZ-OE1 3.43Å; K1566-E1691 IonicContact NZ-OE2 3.05Å; K1566-E1691 PolarHBondContact NZ-OE2 3.3Å; V1687-E1691 HydrophobicContact CG1-CG 4.32Å; V1687-E1691 WeakPolarHBondContact CG1-OE2 3.22Å; V1687-E1691 WeakPolarHBondContact O-CB 3.37Å; V1687-E1691 VanDerWaalsContact O-CG 3.25Å; V1687-E1691 WeakPolarHBondContact O-CG 3.39Å; V1687-E1691 PolarHBondContact O-N 3.2Å; T1688-E1691 PolarHBondContact O-N 3.16Å; L1689-E1691 VanDerWaalsContact C-N 3.31Å; L1689-E1691 PolarHBondContact O-N 3.14Å; E1691-R1694 WeakPolarHBondContact O-CG 3.13Å; E1691-R1694 PolarHBondContact O-NE 3.12Å; E1691-T1742 HydrophobicContact CB-CG2 4.24Å; E1691-T1742 HydrophobicContact CG-CG2 3.54Å; E1691-T1742 VanDerWaalsContact CG-CG2 3.49Å; E1691-R1745 VanDerWaalsContact C-NH2 3.28Å; E1691-R1745 VanDerWaalsContact CA-NH2 3.26Å; E1691-R1745 PolarHBondContact O-NH2 2.95Å; E1691-R1953 IonicContact OE1-CZ 3.9Å; E1691-R1953 IonicContact OE1-NH1 2.78Å; E1691-R1953 PolarHBondContact OE1-NH1 3.15Å |
| 1692 | I | 73.1 | Confident | 63 | Low | 18.8 Ų | 18.8 | 37.5 Ų | 37.5 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -82.4 | -33.7 | 177.1 | -67.9 | 163.2 | 0 | 0 | 0 | 111.2 | L1562 L1568 F1634 I1638 T1688 L1689 L1690 R1694 | L1562-I1692 HydrophobicContact CB-CD1 3.61Å; L1562-I1692 HydrophobicContact CB-CG1 4.31Å; L1562-I1692 HydrophobicContact CD1-CD1 3.79Å; L1562-I1692 HydrophobicContact CD2-CD1 3.79Å; L1562-I1692 HydrophobicContact CG-CD1 3.89Å; L1568-I1692 HydrophobicContact CD1-CG2 4.26Å; F1634-I1692 HydrophobicContact CE1-CG2 3.87Å; F1634-I1692 HydrophobicContact CE2-CG2 4.46Å; F1634-I1692 HydrophobicContact CZ-CG2 3.46Å; F1634-I1692 VanDerWaalsContact CZ-CG2 3.46Å; I1638-I1692 HydrophobicContact CD1-CG2 4.06Å; T1688-I1692 HydrophobicContact CG2-CD1 3.97Å; T1688-I1692 WeakPolarHBondContact O-CB 3.36Å; T1688-I1692 WeakPolarHBondContact O-CD1 3.36Å; T1688-I1692 VanDerWaalsContact O-CG1 3.3Å; T1688-I1692 WeakPolarHBondContact O-CG1 3.4Å; T1688-I1692 PolarHBondContact O-N 3.01Å; T1688-I1692 VanDerWaalsContact O-N 3.15Å; L1689-I1692 PolarHBondContact O-N 3.18Å; L1690-I1692 VanDerWaalsContact C-N 3.3Å; L1690-I1692 PolarHBondContact O-N 3.15Å; I1692-R1694 PolarHBondContact O-N 2.93Å |
| 1693 | L | 72.8 | Confident | 61.4 | Low | 0.4 Ų | 0.4 | 39.2 Ų | 39.2 | 0% | 0.002 | 22% | 0.218 | C | C | . | . | trans | -69.6 | 78.3 | 173 | -146.7 | 146.4 | 0 | 0 | 0 | 109.5 | N1635 I1638 I1642 L1689 L1690 Y1695 F1724 R1745 | N1635-L1693 HydrophobicContact CB-CD1 4.28Å; N1635-L1693 HydrophobicContact CB-CD2 4.35Å; N1635-L1693 WeakPolarHBondContact OD1-CD1 3.42Å; I1638-L1693 HydrophobicContact CB-CD1 4.11Å; I1638-L1693 HydrophobicContact CB-CD2 4.12Å; I1638-L1693 HydrophobicContact CB-CG 3.82Å; I1638-L1693 HydrophobicContact CD1-CD1 4.43Å; I1638-L1693 HydrophobicContact CD1-CG 4.35Å; I1638-L1693 HydrophobicContact CG2-CB 4.31Å; I1638-L1693 HydrophobicContact CG2-CD1 3.79Å; I1638-L1693 HydrophobicContact CG2-CD2 4.45Å; I1638-L1693 HydrophobicContact CG2-CG 4.04Å; I1642-L1693 HydrophobicContact CD1-CD1 3.52Å; L1689-L1693 VanDerWaalsContact O-CB 3.3Å; L1689-L1693 WeakPolarHBondContact O-CB 3.35Å; L1689-L1693 PolarHBondContact O-N 3.04Å; L1690-L1693 PolarHBondContact O-N 2.97Å; L1693-Y1695 HydrophobicContact CD2-CD1 4.5Å; L1693-Y1695 HydrophobicContact CD2-CD2 4.13Å; L1693-Y1695 HydrophobicContact CD2-CE1 3.92Å; L1693-Y1695 HydrophobicContact CD2-CE2 3.35Å; L1693-Y1695 VanDerWaalsContact CD2-OH 3.24Å; L1693-Y1695 WeakPolarHBondContact CD2-OH 3.38Å; L1693-Y1695 HydrophobicContact CG-CE2 4.45Å; L1693-F1724 HydrophobicContact CD1-CE2 4.37Å; L1693-F1724 HydrophobicContact CD1-CZ 4.05Å; L1693-F1724 HydrophobicContact CD2-CE1 3.9Å; L1693-F1724 HydrophobicContact CD2-CE2 4.01Å; L1693-F1724 HydrophobicContact CD2-CZ 3.35Å; L1693-R1745 PolarHBondContact O-NH2 3.03Å | ||
| 1694 | R | 64.5 | Low | 59.5 | Low | 74.6 Ų | 74.6 | 40.1 Ų | 40.1 | 28% | 0.282 | 23% | 0.232 | S | C | . | . | trans | -93.7 | 135.1 | 174.3 | -67.7 | -145.1 | -176.5 | 168.2 | 3.5 | 109.7 | K1566 D1571 E1691 I1692 P1696 E1749 | K1566-R1694 PolarHBondContact O-NH2 2.99Å; D1571-R1694 IonicContact OD1-NH1 3.2Å; D1571-R1694 PolarHBondContact OD1-NH1 3.39Å; D1571-R1694 VanDerWaalsContact OD1-NH1 3.12Å; E1691-R1694 WeakPolarHBondContact O-CG 3.13Å; E1691-R1694 PolarHBondContact O-NE 3.12Å; I1692-R1694 PolarHBondContact O-N 2.93Å; R1694-P1696 VanDerWaalsContact O-CD 3.25Å; R1694-P1696 WeakPolarHBondContact O-CD 3.28Å; R1694-E1749 WeakPolarHBondContact CA-OE2 3.42Å; R1694-E1749 WeakPolarHBondContact CB-OE2 3.34Å | ||
| 1695 | Y | 61.6 | Low | 57.7 | Low | 2.2 Ų | 2.2 | 46.6 Ų | 46.6 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | trans | -97.1 | 99.5 | 162 | -54.6 | -86.4 | 0 | 0 | 0 | 105.6 | L1693 V1697 L1717 P1720 C1746 E1749 L1750 | L1693-Y1695 HydrophobicContact CD2-CD1 4.5Å; L1693-Y1695 HydrophobicContact CD2-CD2 4.13Å; L1693-Y1695 HydrophobicContact CD2-CE1 3.92Å; L1693-Y1695 HydrophobicContact CD2-CE2 3.35Å; L1693-Y1695 VanDerWaalsContact CD2-OH 3.24Å; L1693-Y1695 WeakPolarHBondContact CD2-OH 3.38Å; L1693-Y1695 HydrophobicContact CG-CE2 4.45Å; Y1695-V1697 VanDerWaalsContact C-N 3.33Å; Y1695-V1697 WeakPolarHBondContact O-CG2 3.22Å; Y1695-V1697 PolarHBondContact O-N 3.2Å; Y1695-V1697 VanDerWaalsContact O-N 3.15Å; Y1695-L1717 HydrophobicContact CD1-CB 4.37Å; Y1695-L1717 HydrophobicContact CD1-CD1 4.15Å; Y1695-L1717 HydrophobicContact CD1-CD2 4Å; Y1695-L1717 HydrophobicContact CD1-CG 4.33Å; Y1695-L1717 HydrophobicContact CE1-CD2 4.06Å; Y1695-L1717 HydrophobicContact CG-CD1 4.47Å; Y1695-P1720 VanDerWaalsContact OH-CD 3.29Å; Y1695-P1720 WeakPolarHBondContact OH-CD 3.28Å; Y1695-P1720 VanDerWaalsContact OH-CG 3.25Å; Y1695-P1720 WeakPolarHBondContact OH-CG 3.39Å; Y1695-C1746 WeakPolarHBondContact CE2-O 3.4Å; Y1695-E1749 HydrophobicContact CD2-CB 4.04Å; Y1695-E1749 HydrophobicContact CG-CB 4.46Å; Y1695-E1749 PolarHBondContact N-OE2 3.16Å; Y1695-E1749 VanDerWaalsContact N-OE2 3.08Å; Y1695-E1749 WeakPolarHBondContact O-CB 3.12Å; Y1695-L1750 HydrophobicContact CD1-CD1 4.12Å; Y1695-L1750 HydrophobicContact CD2-CB 3.97Å; Y1695-L1750 HydrophobicContact CD2-CD1 4.38Å; Y1695-L1750 HydrophobicContact CE1-CD1 3.76Å; Y1695-L1750 HydrophobicContact CE2-CB 3.84Å; Y1695-L1750 HydrophobicContact CE2-CD1 4.14Å; Y1695-L1750 HydrophobicContact CE2-CG 4.44Å; Y1695-L1750 HydrophobicContact CG-CB 4.45Å; Y1695-L1750 HydrophobicContact CG-CD1 4.46Å | ||
| 1696 | P | 52.3 | Low | 55.5 | Low | 26.4 Ų | 26.4 | 53.7 Ų | 53.7 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | trans | -59.5 | 112.7 | -175.1 | 25.8 | -36.3 | 0 | 0 | 0 | 109.5 | I1570 D1571 F1572 Y1575 R1694 S1698 P1714 L1717 | I1570-P1696 WeakPolarHBondContact O-CB 3.1Å; I1570-P1696 WeakPolarHBondContact O-CG 3.41Å; D1571-P1696 HydrophobicContact CB-CB 4.12Å; D1571-P1696 HydrophobicContact CB-CG 4.48Å; F1572-P1696 HydrophobicContact CB-CG 4.25Å; F1572-P1696 HydrophobicContact CD2-CG 4.1Å; F1572-P1696 HydrophobicContact CG-CG 4.48Å; Y1575-P1696 HydrophobicContact CD2-CG 3.81Å; Y1575-P1696 HydrophobicContact CE1-CG 4.48Å; Y1575-P1696 HydrophobicContact CE2-CB 4.35Å; Y1575-P1696 HydrophobicContact CE2-CG 3.82Å; Y1575-P1696 VanDerWaalsContact CE2-CG 3.42Å; R1694-P1696 VanDerWaalsContact O-CD 3.25Å; R1694-P1696 WeakPolarHBondContact O-CD 3.28Å; P1696-S1698 PolarHBondContact O-N 3.25Å; P1696-S1698 VanDerWaalsContact O-N 3.14Å; P1696-P1714 HydrophobicContact CB-CB 4.32Å; P1696-P1714 HydrophobicContact CB-CG 4.19Å; P1696-P1714 HydrophobicContact CG-CB 3.63Å; P1696-P1714 HydrophobicContact CG-CG 3.83Å; P1696-P1714 VanDerWaalsContact O-CG 3.3Å; P1696-P1714 WeakPolarHBondContact O-CG 3.35Å; P1696-L1717 HydrophobicContact CG-CD1 4.4Å | ||
| 1697 | V | 47.6 | Very low | 53.4 | Low | 33.8 Ų | 33.8 | 58.4 Ų | 58.4 | 21% | 0.205 | 30% | 0.301 | C | S | . | . | trans | -88.5 | 114.9 | 163.8 | -178.3 | 0 | 0 | 0 | 0 | 104.5 | Y1695 P1699 P1700 F1701 E1749 F1752 F1757 Y1963 | Y1695-V1697 VanDerWaalsContact C-N 3.33Å; Y1695-V1697 WeakPolarHBondContact O-CG2 3.22Å; Y1695-V1697 PolarHBondContact O-N 3.2Å; Y1695-V1697 VanDerWaalsContact O-N 3.15Å; V1697-P1699 WeakPolarHBondContact O-CD 3.41Å; V1697-P1699 VanDerWaalsContact O-N 3.1Å; V1697-P1700 HydrophobicContact CG1-CB 4.21Å; V1697-P1700 HydrophobicContact CG1-CG 3.87Å; V1697-F1701 HydrophobicContact CG1-CD2 4.26Å; V1697-F1701 HydrophobicContact CG1-CE2 3.71Å; V1697-E1749 HydrophobicContact CG2-CB 4.06Å; V1697-E1749 HydrophobicContact CG2-CG 4.24Å; V1697-F1752 HydrophobicContact CB-CD1 4.23Å; V1697-F1752 HydrophobicContact CB-CE1 4.42Å; V1697-F1752 HydrophobicContact CG1-CD1 3.59Å; V1697-F1752 VanDerWaalsContact CG1-CD1 3.42Å; V1697-F1752 HydrophobicContact CG1-CD2 4.5Å; V1697-F1752 HydrophobicContact CG1-CE1 3.43Å; V1697-F1752 VanDerWaalsContact CG1-CE1 3.41Å; V1697-F1752 HydrophobicContact CG1-CG 3.97Å; V1697-F1752 HydrophobicContact CG1-CZ 4.27Å; V1697-F1752 HydrophobicContact CG2-CB 4.05Å; V1697-F1752 HydrophobicContact CG2-CD1 3.78Å; V1697-F1752 VanDerWaalsContact CG2-CD1 3.5Å; V1697-F1752 HydrophobicContact CG2-CE1 3.69Å; V1697-F1752 HydrophobicContact CG2-CG 4.2Å; V1697-F1757 HydrophobicContact CG1-CD2 4.47Å; V1697-Y1963 WeakPolarHBondContact CG1-OH 3.39Å; V1697-Y1963 WeakPolarHBondContact CG2-OH 3.26Å | ||
| 1698 | S | 41.4 | Very low | 51.3 | Low | 52.4 Ų | 52.4 | 62.8 Ų | 62.8 | 37% | 0.366 | 32% | 0.324 | S | S | . | . | trans | -48.6 | 120.5 | 171.5 | 48.8 | 0 | 0 | 0 | 0 | 108.2 | F1572 P1696 P1700 | F1572-S1698 WeakPolarHBondContact O-CB 3.38Å; P1696-S1698 PolarHBondContact O-N 3.25Å; P1696-S1698 VanDerWaalsContact O-N 3.14Å; S1698-P1700 VanDerWaalsContact O-CA 3.25Å; S1698-P1700 WeakPolarHBondContact O-CA 3.35Å; S1698-P1700 WeakPolarHBondContact O-CD 3.27Å | ||
| 1699 | P | 38.1 | Very low | 49.2 | Very low | 89 Ų | 89 | 66.5 Ų | 66.5 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | trans | -60.9 | 142.9 | -176.8 | 7.7 | -9.2 | 0 | 0 | 0 | 109.8 | N1573 V1697 F1701 V1702 N1709 | N1573-P1699 WeakPolarHBondContact OD1-CD 3.38Å; N1573-P1699 WeakPolarHBondContact OD1-CG 3.47Å; V1697-P1699 WeakPolarHBondContact O-CD 3.41Å; V1697-P1699 VanDerWaalsContact O-N 3.1Å; P1699-F1701 PolarHBondContact O-N 3.23Å; P1699-V1702 HydrophobicContact CB-CG2 4.42Å; P1699-V1702 HydrophobicContact CG-CG2 4.38Å; P1699-V1702 PolarHBondContact O-N 3.01Å; P1699-N1709 PolarHBondContact O-ND2 3.03Å | ||
| 1700 | P | 39.5 | Very low | 46.9 | Very low | 73.4 Ų | 73.4 | 69.6 Ų | 69.6 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | -98.3 | 149.1 | -108.8 | 27.4 | -18.6 | 0 | 0 | 0 | 112.4 | V1697 S1698 V1702 N1709 F1752 Y1963 | V1697-P1700 HydrophobicContact CG1-CB 4.21Å; V1697-P1700 HydrophobicContact CG1-CG 3.87Å; S1698-P1700 VanDerWaalsContact O-CA 3.25Å; S1698-P1700 WeakPolarHBondContact O-CA 3.35Å; S1698-P1700 WeakPolarHBondContact O-CD 3.27Å; P1700-V1702 HydrophobicContact CB-CB 4.09Å; P1700-V1702 HydrophobicContact CB-CG2 3.97Å; P1700-V1702 HydrophobicContact CG-CB 3.57Å; P1700-V1702 HydrophobicContact CG-CG2 4.3Å; P1700-V1702 PolarHBondContact O-N 3.07Å; P1700-N1709 WeakPolarHBondContact CD-ND2 3.44Å; P1700-F1752 HydrophobicContact CB-CE1 3.94Å; P1700-F1752 HydrophobicContact CB-CE2 3.85Å; P1700-F1752 HydrophobicContact CB-CZ 3.35Å; P1700-F1752 HydrophobicContact CG-CE2 4.34Å; P1700-F1752 HydrophobicContact CG-CZ 4.15Å; P1700-Y1963 HydrophobicContact CG-CE2 4.03Å | |||
| 1701 | F | 36 | Very low | 44.7 | Very low | 122 Ų | 122 | 77.2 Ų | 77.2 | 54% | 0.535 | 39% | 0.394 | S | S | . | . | trans | -59.2 | 32.1 | 168.1 | -63.7 | -75 | 0 | 0 | 0 | 114.9 | V1697 P1699 P1703 F1752 F1757 I1760 Y1963 R1966 L1970 | V1697-F1701 HydrophobicContact CG1-CD2 4.26Å; V1697-F1701 HydrophobicContact CG1-CE2 3.71Å; P1699-F1701 PolarHBondContact O-N 3.23Å; F1701-P1703 VanDerWaalsContact O-CD 3.29Å; F1701-P1703 WeakPolarHBondContact O-CD 3.39Å; F1701-F1752 HydrophobicContact CE1-CE2 4.49Å; F1701-F1752 AromaticContact CE2-CE1 3.8Å; F1701-F1752 HydrophobicContact CE2-CE1 3.8Å; F1701-F1752 HydrophobicContact CE2-CE2 4.2Å; F1701-F1752 AromaticContact CE2-CZ 3.57Å; F1701-F1752 HydrophobicContact CE2-CZ 3.92Å; F1701-F1752 AromaticContact CZ-CD2 4Å; F1701-F1752 HydrophobicContact CZ-CD2 4Å; F1701-F1752 HydrophobicContact CZ-CE1 4.2Å; F1701-F1752 AromaticContact CZ-CE2 3.53Å; F1701-F1752 HydrophobicContact CZ-CE2 3.53Å; F1701-F1752 AromaticContact CZ-CZ 3.82Å; F1701-F1752 HydrophobicContact CZ-CZ 3.82Å; F1701-F1757 HydrophobicContact CE2-CD2 4.03Å; F1701-F1757 HydrophobicContact CE2-CE2 4.11Å; F1701-F1757 AromaticContact CZ-CD2 3.63Å; F1701-F1757 HydrophobicContact CZ-CD2 3.63Å; F1701-F1757 AromaticContact CZ-CE2 3.73Å; F1701-F1757 HydrophobicContact CZ-CE2 3.73Å; F1701-I1760 HydrophobicContact CD1-CD1 4.2Å; F1701-I1760 HydrophobicContact CE1-CD1 3.17Å; F1701-I1760 HydrophobicContact CZ-CD1 3.5Å; F1701-I1760 VanDerWaalsContact CZ-CD1 3.5Å; F1701-Y1963 HydrophobicContact CD2-CD2 4.29Å; F1701-Y1963 HydrophobicContact CD2-CE2 4.11Å; F1701-Y1963 AromaticContact CE2-CD2 3.87Å; F1701-Y1963 HydrophobicContact CE2-CD2 3.87Å; F1701-Y1963 AromaticContact CE2-CE2 3.36Å; F1701-Y1963 HydrophobicContact CE2-CE2 3.36Å; F1701-Y1963 HydrophobicContact CZ-CD2 4.27Å; F1701-Y1963 AromaticContact CZ-CE2 3.88Å; F1701-Y1963 HydrophobicContact CZ-CE2 3.88Å; F1701-R1966 HydrophobicContact CE1-CG 4.19Å; F1701-R1966 VanDerWaalsContact CE1-CZ 3.47Å; F1701-R1966 VanDerWaalsContact CE2-NE 3.3Å; F1701-L1970 HydrophobicContact CZ-CD1 4.41Å | ||
| 1702 | V | 34.2 | Very low | 42.8 | Very low | 102.6 Ų | 102.6 | 79.2 Ų | 79.2 | 62% | 0.622 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -97.3 | 123.9 | 160.8 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | P1699 P1700 V1704 | P1699-V1702 HydrophobicContact CB-CG2 4.42Å; P1699-V1702 HydrophobicContact CG-CG2 4.38Å; P1699-V1702 PolarHBondContact O-N 3.01Å; P1700-V1702 HydrophobicContact CB-CB 4.09Å; P1700-V1702 HydrophobicContact CB-CG2 3.97Å; P1700-V1702 HydrophobicContact CG-CB 3.57Å; P1700-V1702 HydrophobicContact CG-CG2 4.3Å; P1700-V1702 PolarHBondContact O-N 3.07Å; V1702-V1704 PolarHBondContact O-N 3.13Å |
| 1703 | P | 31.3 | Very low | 41.2 | Very low | 63.4 Ų | 63.4 | 82.7 Ų | 82.7 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | trans | -66.2 | 143.9 | -148.1 | 19 | -20.2 | 0 | 0 | 0 | 112 | F1701 W1705 R1706 R1763 | F1701-P1703 VanDerWaalsContact O-CD 3.29Å; F1701-P1703 WeakPolarHBondContact O-CD 3.39Å; P1703-W1705 HydrophobicContact CB-CD2 4.19Å; P1703-W1705 HydrophobicContact CB-CE3 3.62Å; P1703-W1705 HydrophobicContact CB-CG 4.35Å; P1703-W1705 HydrophobicContact CB-CH2 3.81Å; P1703-W1705 HydrophobicContact CB-CZ2 4.11Å; P1703-W1705 HydrophobicContact CB-CZ3 3.59Å; P1703-W1705 VanDerWaalsContact CG-CD1 3.4Å; P1703-W1705 HydrophobicContact CG-CE3 4.44Å; P1703-W1705 HydrophobicContact CG-CH2 3.71Å; P1703-W1705 HydrophobicContact CG-CZ2 4Å; P1703-W1705 HydrophobicContact CG-CZ3 3.94Å; P1703-W1705 PolarHBondContact O-N 3.16Å; P1703-R1706 PolarHBondContact O-N 3.19Å; P1703-R1763 VanDerWaalsContact CB-NH1 3.35Å | ||
| 1704 | V | 32.8 | Very low | 39.7 | Very low | 93 Ų | 93 | 84.7 Ų | 84.7 | 56% | 0.564 | 43% | 0.434 | S | S | * | . | trans | -54.3 | 30 | -179.5 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | V1702 R1706 | V1702-V1704 PolarHBondContact O-N 3.13Å; V1704-R1706 VanDerWaalsContact C-N 3.34Å; V1704-R1706 CarbonylContact C-O 3.32Å; V1704-R1706 WeakPolarHBondContact CG1-O 3.49Å; V1704-R1706 CarbonylContact O-C 3.52Å; V1704-R1706 PolarHBondContact O-N 3.24Å; V1704-R1706 VanDerWaalsContact O-N 3.15Å | ||
| 1705 | W | 35.3 | Very low | 38.8 | Very low | 177.4 Ų | 177.4 | 83.8 Ų | 83.8 | 67% | 0.672 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -70 | 46.1 | 175.3 | 31.4 | 48.9 | 0 | 0 | 0 | 112.6 | W1590 P1703 L1707 | W1590-W1705 HydrophobicContact CZ2-CZ3 4.48Å; W1590-W1705 AromaticContact NE1-CD2 3.8Å; W1590-W1705 AromaticContact NE1-CE2 3.91Å; W1590-W1705 AromaticContact NE1-CG 4Å; P1703-W1705 HydrophobicContact CB-CD2 4.19Å; P1703-W1705 HydrophobicContact CB-CE3 3.62Å; P1703-W1705 HydrophobicContact CB-CG 4.35Å; P1703-W1705 HydrophobicContact CB-CH2 3.81Å; P1703-W1705 HydrophobicContact CB-CZ2 4.11Å; P1703-W1705 HydrophobicContact CB-CZ3 3.59Å; P1703-W1705 VanDerWaalsContact CG-CD1 3.4Å; P1703-W1705 HydrophobicContact CG-CE3 4.44Å; P1703-W1705 HydrophobicContact CG-CH2 3.71Å; P1703-W1705 HydrophobicContact CG-CZ2 4Å; P1703-W1705 HydrophobicContact CG-CZ3 3.94Å; P1703-W1705 PolarHBondContact O-N 3.16Å; W1705-L1707 PolarHBondContact O-N 3.13Å |
| 1706 | R | 30.2 | Very low | 38.4 | Very low | 157.2 Ų | 157.2 | 86.3 Ų | 86.3 | 59% | 0.593 | 45% | 0.45 | S | S | * | . | trans | -69.3 | 119.7 | 165.2 | -78.6 | 173 | -178.9 | -175.2 | 4.9 | 112.3 | T1588 W1590 P1703 V1704 D1708 | T1588-R1706 VanDerWaalsContact OG1-CZ 3.31Å; T1588-R1706 PolarHBondContact OG1-NH1 3.42Å; T1588-R1706 PolarHBondContact OG1-NH2 3.45Å; W1590-R1706 HydrophobicContact CB-CG 4.34Å; P1703-R1706 PolarHBondContact O-N 3.19Å; V1704-R1706 VanDerWaalsContact C-N 3.34Å; V1704-R1706 CarbonylContact C-O 3.32Å; V1704-R1706 WeakPolarHBondContact CG1-O 3.49Å; V1704-R1706 CarbonylContact O-C 3.52Å; V1704-R1706 PolarHBondContact O-N 3.24Å; V1704-R1706 VanDerWaalsContact O-N 3.15Å; R1706-D1708 PolarHBondContact O-N 3.05Å | ||
| 1707 | L | 34.7 | Very low | 38.7 | Very low | 100.2 Ų | 100.2 | 86 Ų | 86 | 53% | 0.525 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | -18.3 | -179.4 | -87.1 | 130.1 | 0 | 0 | 0 | 117.6 | W1590 W1705 N1709 R1763 Y1845 | W1590-L1707 VanDerWaalsContact CD1-CB 3.48Å; W1590-L1707 PolarHBondContact NE1-O 3.36Å; W1590-L1707 VanDerWaalsContact NE1-O 3.12Å; W1705-L1707 PolarHBondContact O-N 3.13Å; L1707-N1709 PolarHBondContact O-N 3Å; L1707-R1763 WeakPolarHBondContact CD2-O 3.42Å; L1707-Y1845 WeakPolarHBondContact CA-OH 3.3Å; L1707-Y1845 WeakPolarHBondContact CB-OH 3.4Å; L1707-Y1845 HydrophobicContact CD2-CE2 4.4Å; L1707-Y1845 VanDerWaalsContact CD2-OH 3.3Å; L1707-Y1845 WeakPolarHBondContact CD2-OH 3.22Å; L1707-Y1845 VanDerWaalsContact O-CE1 3.31Å; L1707-Y1845 WeakPolarHBondContact O-CE1 3.42Å; L1707-Y1845 PolarHBondContact O-OH 2.68Å |
| 1708 | D | 35.8 | Very low | 39.5 | Very low | 100.8 Ų | 100.8 | 85.6 Ų | 85.6 | 54% | 0.539 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 14.2 | -169.1 | -60.3 | -34.1 | 0 | 0 | 0 | 113.3 | P1586 T1588 W1590 R1706 C1710 | P1586-D1708 HydrophobicContact CB-CB 3.63Å; P1586-D1708 HydrophobicContact CG-CB 3.61Å; P1586-D1708 WeakPolarHBondContact CG-O 3.34Å; T1588-D1708 PolarHBondContact OG1-OD2 3.03Å; W1590-D1708 HydrophobicContact CZ2-CB 4.39Å; W1590-D1708 WeakPolarHBondContact CZ2-OD1 3.33Å; W1590-D1708 PolarHBondContact NE1-OD1 3.5Å; W1590-D1708 VanDerWaalsContact NE1-OD1 3.1Å; R1706-D1708 PolarHBondContact O-N 3.05Å; D1708-C1710 VanDerWaalsContact O-CB 3.27Å; D1708-C1710 WeakPolarHBondContact O-CB 3.39Å; D1708-C1710 PolarHBondContact O-N 3.33Å; D1708-C1710 PolarHBondContact O-SG 2.96Å |
| 1709 | N | 32.5 | Very low | 40.9 | Very low | 84.4 Ų | 84.4 | 84 Ų | 84 | 45% | 0.451 | 43% | 0.433 | S | S | . | . | trans | -110.6 | 56 | -178.6 | -87 | -1.2 | 0 | 0 | 0 | 113.1 | P1699 P1700 L1707 Y1711 I1712 | P1699-N1709 PolarHBondContact O-ND2 3.03Å; P1700-N1709 WeakPolarHBondContact CD-ND2 3.44Å; L1707-N1709 PolarHBondContact O-N 3Å; N1709-Y1711 PolarHBondContact O-N 3.21Å; N1709-Y1711 VanDerWaalsContact O-N 3.12Å; N1709-I1712 HydrophobicContact CB-CD1 4.02Å; N1709-I1712 HydrophobicContact CB-CG1 4.03Å; N1709-I1712 VanDerWaalsContact ND2-CD1 3.29Å; N1709-I1712 WeakPolarHBondContact ND2-CD1 3.37Å; N1709-I1712 VanDerWaalsContact OD1-CD1 3.28Å; N1709-I1712 WeakPolarHBondContact OD1-CD1 3.37Å | ||
| 1710 | C | 33.1 | Very low | 42.8 | Very low | 65.4 Ų | 65.4 | 80.1 Ų | 80.1 | 44% | 0.442 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 75.4 | 155.8 | -69.5 | 0 | 0 | 0 | 0 | 113.4 | D1708 I1712 H1713 | D1708-C1710 VanDerWaalsContact O-CB 3.27Å; D1708-C1710 WeakPolarHBondContact O-CB 3.39Å; D1708-C1710 PolarHBondContact O-N 3.33Å; D1708-C1710 PolarHBondContact O-SG 2.96Å; C1710-I1712 PolarHBondContact O-N 2.71Å; C1710-I1712 VanDerWaalsContact O-N 3.09Å; C1710-H1713 PolarHBondContact O-CD2 3.29Å; C1710-H1713 VanDerWaalsContact O-CD2 3.22Å; C1710-H1713 PolarHBondContact O-NE2 3.39Å |
| 1711 | Y | 35.7 | Very low | 44.9 | Very low | 162.6 Ų | 162.6 | 79 Ų | 79 | 64% | 0.638 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 40.7 | 177.7 | -59.4 | -75 | 0 | 0 | 0 | 116.3 | N1709 H1713 F1757 | N1709-Y1711 PolarHBondContact O-N 3.21Å; N1709-Y1711 VanDerWaalsContact O-N 3.12Å; Y1711-H1713 AromaticContact CD1-CE1 3.29Å; Y1711-H1713 WeakPolarHBondContact CD1-CE1 3.38Å; Y1711-H1713 AromaticContact CD1-NE2 3.45Å; Y1711-H1713 WeakPolarHBondContact CD1-NE2 3.35Å; Y1711-H1713 AromaticContact CE1-CE1 3.92Å; Y1711-H1713 AromaticContact CE1-NE2 3.94Å; Y1711-H1713 AromaticContact CG-NE2 3.54Å; Y1711-H1713 PolarHBondContact O-N 3.15Å; Y1711-H1713 VanDerWaalsContact O-N 3.15Å; Y1711-F1757 AromaticContact CD1-CE2 3.86Å; Y1711-F1757 HydrophobicContact CD1-CE2 3.86Å; Y1711-F1757 HydrophobicContact CD1-CZ 4.08Å; Y1711-F1757 HydrophobicContact CE1-CE2 4.06Å; Y1711-F1757 HydrophobicContact CG-CZ 4.28Å |
| 1712 | I | 36.2 | Very low | 47.1 | Very low | 62.8 Ų | 62.8 | 75.7 Ų | 75.7 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | trans | -90 | 77.1 | 163.3 | -50.8 | 178.2 | 0 | 0 | 0 | 107.9 | Y1575 L1576 N1709 C1710 P1714 | Y1575-I1712 VanDerWaalsContact O-CG2 3.25Å; Y1575-I1712 WeakPolarHBondContact O-CG2 3.13Å; L1576-I1712 HydrophobicContact CB-CG2 4.46Å; L1576-I1712 HydrophobicContact CD1-CD1 4.37Å; L1576-I1712 HydrophobicContact CD2-CB 4.29Å; L1576-I1712 HydrophobicContact CD2-CD1 3.55Å; L1576-I1712 VanDerWaalsContact CD2-CD1 3.44Å; L1576-I1712 HydrophobicContact CD2-CG1 3.45Å; L1576-I1712 VanDerWaalsContact CD2-CG1 3.45Å; L1576-I1712 HydrophobicContact CD2-CG2 4.26Å; L1576-I1712 HydrophobicContact CG-CD1 3.83Å; L1576-I1712 HydrophobicContact CG-CG1 4.11Å; L1576-I1712 HydrophobicContact CG-CG2 3.83Å; N1709-I1712 HydrophobicContact CB-CD1 4.02Å; N1709-I1712 HydrophobicContact CB-CG1 4.03Å; N1709-I1712 VanDerWaalsContact ND2-CD1 3.29Å; N1709-I1712 WeakPolarHBondContact ND2-CD1 3.37Å; N1709-I1712 VanDerWaalsContact OD1-CD1 3.28Å; N1709-I1712 WeakPolarHBondContact OD1-CD1 3.37Å; C1710-I1712 PolarHBondContact O-N 2.71Å; C1710-I1712 VanDerWaalsContact O-N 3.09Å; I1712-P1714 WeakPolarHBondContact O-CD 3.4Å | ||
| 1713 | H | 39 | Very low | 49.5 | Very low | 92.8 Ų | 92.8 | 75 Ų | 75 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 125.7 | 173.3 | -71.4 | -72.5 | 0 | 0 | 0 | 109 | C1710 Y1711 F1757 Y1758 | C1710-H1713 PolarHBondContact O-CD2 3.29Å; C1710-H1713 VanDerWaalsContact O-CD2 3.22Å; C1710-H1713 PolarHBondContact O-NE2 3.39Å; Y1711-H1713 AromaticContact CD1-CE1 3.29Å; Y1711-H1713 WeakPolarHBondContact CD1-CE1 3.38Å; Y1711-H1713 AromaticContact CD1-NE2 3.45Å; Y1711-H1713 WeakPolarHBondContact CD1-NE2 3.35Å; Y1711-H1713 AromaticContact CE1-CE1 3.92Å; Y1711-H1713 AromaticContact CE1-NE2 3.94Å; Y1711-H1713 AromaticContact CG-NE2 3.54Å; Y1711-H1713 PolarHBondContact O-N 3.15Å; Y1711-H1713 VanDerWaalsContact O-N 3.15Å; H1713-F1757 AromaticContact CE1-CE1 3.48Å; H1713-F1757 VanDerWaalsContact CE1-CE1 3.48Å; H1713-F1757 WeakPolarHBondContact CE1-CE1 3.39Å; H1713-F1757 AromaticContact CE1-CZ 3.85Å; H1713-Y1758 AromaticContact ND1-CE1 3.79Å |
| 1714 | P | 42.7 | Very low | 52.1 | Low | 42.2 Ų | 42.2 | 72 Ų | 72 | 27% | 0.274 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 140.5 | 161.2 | 25.8 | -30.2 | 0 | 0 | 0 | 108.3 | Y1575 P1696 I1712 I1716 F1757 Y1758 | Y1575-P1714 HydrophobicContact CD2-CB 3.58Å; Y1575-P1714 HydrophobicContact CE2-CB 4.11Å; Y1575-P1714 HydrophobicContact CG-CB 4.01Å; P1696-P1714 HydrophobicContact CB-CB 4.32Å; P1696-P1714 HydrophobicContact CB-CG 4.19Å; P1696-P1714 HydrophobicContact CG-CB 3.63Å; P1696-P1714 HydrophobicContact CG-CG 3.83Å; P1696-P1714 VanDerWaalsContact O-CG 3.3Å; P1696-P1714 WeakPolarHBondContact O-CG 3.35Å; I1712-P1714 WeakPolarHBondContact O-CD 3.4Å; P1714-I1716 PolarHBondContact O-N 3.16Å; P1714-F1757 HydrophobicContact CG-CD1 4.32Å; P1714-F1757 HydrophobicContact CG-CE1 4.03Å; P1714-F1757 HydrophobicContact CG-CZ 4.09Å; P1714-Y1758 PolarHBondContact O-OH 2.85Å |
| 1715 | P | 45.3 | Very low | 54.7 | Low | 55.8 Ų | 55.8 | 67.6 Ų | 67.6 | 36% | 0.362 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 139.5 | 177.2 | 23.7 | -30.9 | 0 | 0 | 0 | 109.3 | Y1575 L1717 | Y1575-P1715 HydrophobicContact CD1-CB 4.26Å; Y1575-P1715 HydrophobicContact CD1-CG 3.18Å; Y1575-P1715 HydrophobicContact CD2-CG 3.56Å; Y1575-P1715 HydrophobicContact CE1-CB 4.46Å; Y1575-P1715 HydrophobicContact CE1-CG 3.38Å; Y1575-P1715 HydrophobicContact CE2-CG 4.02Å; Y1575-P1715 HydrophobicContact CG-CB 4.46Å; Y1575-P1715 HydrophobicContact CG-CG 3.58Å; P1715-L1717 PolarHBondContact O-N 2.95Å; P1715-L1717 VanDerWaalsContact O-N 3.1Å |
| 1716 | I | 52.1 | Low | 57.1 | Low | 54.6 Ų | 54.6 | 62.3 Ų | 62.3 | 28% | 0.28 | 32% | 0.315 | S | S | . | . | trans | -60.4 | 112.1 | -179.6 | -52.8 | 171 | 0 | 0 | 0 | 107.1 | P1714 T1718 Y1758 F1904 I1906 R1914 | P1714-I1716 PolarHBondContact O-N 3.16Å; I1716-T1718 PolarHBondContact O-N 2.97Å; I1716-Y1758 WeakPolarHBondContact CD1-OH 3.46Å; I1716-Y1758 WeakPolarHBondContact CG1-OH 3.34Å; I1716-F1904 HydrophobicContact CG2-CE1 4.09Å; I1716-I1906 HydrophobicContact CD1-CD1 4.01Å; I1716-I1906 HydrophobicContact CD1-CG1 4.39Å; I1716-R1914 VanDerWaalsContact CB-NH1 3.34Å; I1716-R1914 VanDerWaalsContact CG2-CD 3.48Å; I1716-R1914 VanDerWaalsContact CG2-NH1 3.3Å; I1716-R1914 PolarHBondContact O-NH2 3.33Å | ||
| 1717 | L | 59 | Low | 59.7 | Low | 20.2 Ų | 20.2 | 55.2 Ų | 55.2 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 139.2 | -177.3 | -80.8 | 142 | 0 | 0 | 0 | 110.5 | Y1575 V1631 N1635 Y1695 P1696 P1715 P1719 R1914 | Y1575-L1717 HydrophobicContact CE1-CD2 4.12Å; V1631-L1717 HydrophobicContact CG1-CD2 3.76Å; V1631-L1717 VanDerWaalsContact CG1-CD2 3.42Å; N1635-L1717 VanDerWaalsContact ND2-CD2 3.27Å; N1635-L1717 WeakPolarHBondContact ND2-CD2 3.39Å; Y1695-L1717 HydrophobicContact CD1-CB 4.37Å; Y1695-L1717 HydrophobicContact CD1-CD1 4.15Å; Y1695-L1717 HydrophobicContact CD1-CD2 4Å; Y1695-L1717 HydrophobicContact CD1-CG 4.33Å; Y1695-L1717 HydrophobicContact CE1-CD2 4.06Å; Y1695-L1717 HydrophobicContact CG-CD1 4.47Å; P1696-L1717 HydrophobicContact CG-CD1 4.4Å; P1715-L1717 PolarHBondContact O-N 2.95Å; P1715-L1717 VanDerWaalsContact O-N 3.1Å; L1717-P1719 VanDerWaalsContact O-CD 3.27Å; L1717-P1719 WeakPolarHBondContact O-CD 3.36Å; L1717-P1719 VanDerWaalsContact O-N 3.12Å; L1717-R1914 PolarHBondContact O-NE 3.36Å; L1717-R1914 PolarHBondContact O-NH2 3.49Å |
| 1718 | T | 64.9 | Low | 62.2 | Low | 26.2 Ų | 26.2 | 50.4 Ų | 50.4 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 116.9 | 164.1 | 45.6 | 0 | 0 | 0 | 0 | 108.2 | A1632 I1716 E1910 | A1632-T1718 WeakPolarHBondContact CA-OG1 3.34Å; A1632-T1718 HydrophobicContact CB-CG2 4.08Å; A1632-T1718 WeakPolarHBondContact CB-OG1 3.38Å; I1716-T1718 PolarHBondContact O-N 2.97Å; T1718-E1910 WeakPolarHBondContact CA-OE2 3.37Å; T1718-E1910 WeakPolarHBondContact CB-OE2 3.38Å; T1718-E1910 HydrophobicContact CG2-CB 4.35Å; T1718-E1910 HydrophobicContact CG2-CG 4.16Å; T1718-E1910 VanDerWaalsContact CG2-OE1 3.23Å; T1718-E1910 WeakPolarHBondContact CG2-OE1 3.34Å; T1718-E1910 VanDerWaalsContact CG2-OE2 3.26Å; T1718-E1910 WeakPolarHBondContact CG2-OE2 3.34Å |
| 1719 | P | 70.7 | Confident | 64.6 | Low | 18.6 Ų | 18.6 | 46.2 Ų | 46.2 | 12% | 0.121 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 151.2 | -178.9 | 30 | -35.5 | 0 | 0 | 0 | 109.7 | L1717 L1754 N1913 R1914 A1917 | L1717-P1719 VanDerWaalsContact O-CD 3.27Å; L1717-P1719 WeakPolarHBondContact O-CD 3.36Å; L1717-P1719 VanDerWaalsContact O-N 3.12Å; P1719-L1754 HydrophobicContact CB-CD2 4.41Å; P1719-N1913 HydrophobicContact CG-CB 4.15Å; P1719-R1914 HydrophobicContact CB-CG 4.43Å; P1719-R1914 VanDerWaalsContact CD-CG 3.45Å; P1719-R1914 HydrophobicContact CG-CB 4.37Å; P1719-R1914 HydrophobicContact CG-CG 3.61Å; P1719-A1917 HydrophobicContact CB-CB 4.24Å |
| 1720 | P | 78.9 | Confident | 67.1 | Low | 6.6 Ų | 6.6 | 46.7 Ų | 46.7 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 163.1 | 169.9 | 33.6 | -39.1 | 0 | 0 | 0 | 110.2 | S1639 Y1695 F1724 I1725 L1750 | S1639-P1720 VanDerWaalsContact OG-CB 3.27Å; S1639-P1720 WeakPolarHBondContact OG-CB 3.38Å; Y1695-P1720 VanDerWaalsContact OH-CD 3.29Å; Y1695-P1720 WeakPolarHBondContact OH-CD 3.28Å; Y1695-P1720 VanDerWaalsContact OH-CG 3.25Å; Y1695-P1720 WeakPolarHBondContact OH-CG 3.39Å; P1720-F1724 HydrophobicContact CB-CB 4.24Å; P1720-F1724 HydrophobicContact CB-CD1 3.39Å; P1720-F1724 VanDerWaalsContact CB-CD1 3.42Å; P1720-F1724 HydrophobicContact CB-CE1 4.01Å; P1720-F1724 HydrophobicContact CB-CG 4.02Å; P1720-F1724 HydrophobicContact CG-CD1 3.52Å; P1720-F1724 VanDerWaalsContact CG-CD1 3.49Å; P1720-F1724 HydrophobicContact CG-CE1 3.92Å; P1720-I1725 HydrophobicContact CG-CD1 4.23Å; P1720-I1725 HydrophobicContact CG-CG1 3.86Å; P1720-L1750 HydrophobicContact CG-CD1 4.47Å; P1720-L1750 HydrophobicContact CG-CD2 4.16Å |
| 1721 | S | 82.5 | Confident | 69.6 | Low | 49.2 Ų | 49.2 | 44.1 Ų | 44.1 | 34% | 0.344 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 149.1 | 177.6 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | I1643 K1723 F1724 I1725 | I1643-S1721 VanDerWaalsContact CD1-OG 3.27Å; I1643-S1721 WeakPolarHBondContact CD1-OG 3.44Å; S1721-K1723 PolarHBondContact O-N 3.19Å; S1721-K1723 VanDerWaalsContact O-N 3.12Å; S1721-F1724 WeakPolarHBondContact O-CA 3.42Å; S1721-F1724 WeakPolarHBondContact O-CB 3.43Å; S1721-F1724 PolarHBondContact O-N 3.27Å; S1721-F1724 PolarHBondContact OG-N 3.09Å; S1721-I1725 PolarHBondContact O-N 3.14Å |
| 1722 | L | 83.1 | Confident | 72 | Confident | 53 Ų | 53 | 36.4 Ų | 36.4 | 28% | 0.277 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.1 | -33.8 | 179.4 | -63 | 176.5 | 0 | 0 | 0 | 112.6 | F1724 I1725 Q1726 Q1916 A1917 L1920 | L1722-F1724 VanDerWaalsContact C-N 3.34Å; L1722-F1724 PolarHBondContact O-N 3.03Å; L1722-I1725 HydrophobicContact CD2-CD1 4.47Å; L1722-I1725 PolarHBondContact O-N 3.16Å; L1722-Q1726 WeakPolarHBondContact O-CG 3.31Å; L1722-Q1726 PolarHBondContact O-N 2.94Å; L1722-Q1916 HydrophobicContact CD1-CB 4.06Å; L1722-Q1916 HydrophobicContact CD2-CB 4.05Å; L1722-A1917 HydrophobicContact CD2-CB 4.12Å; L1722-L1920 HydrophobicContact CB-CD2 4.31Å; L1722-L1920 HydrophobicContact CD2-CB 4.44Å; L1722-L1920 HydrophobicContact CD2-CD1 4.36Å; L1722-L1920 HydrophobicContact CD2-CD2 4.11Å |
| 1723 | K | 83.4 | Confident | 74.1 | Confident | 88.6 Ų | 88.6 | 35.3 Ų | 35.3 | 39% | 0.385 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.6 | -170.4 | 174.5 | -178.7 | -176.1 | 0 | 111.9 | I1643 Y1650 S1721 Q1726 I1727 | I1643-K1723 HydrophobicContact CD1-CB 4.19Å; I1643-K1723 HydrophobicContact CD1-CG 4.38Å; I1643-K1723 HydrophobicContact CG1-CG 4.35Å; I1643-K1723 HydrophobicContact CG2-CD 3.78Å; I1643-K1723 HydrophobicContact CG2-CG 4.3Å; Y1650-K1723 HydrophobicContact CE2-CG 4.38Å; S1721-K1723 PolarHBondContact O-N 3.19Å; S1721-K1723 VanDerWaalsContact O-N 3.12Å; K1723-Q1726 PolarHBondContact O-N 3.16Å; K1723-I1727 HydrophobicContact CG-CD1 4.38Å; K1723-I1727 WeakPolarHBondContact O-CG1 3.35Å; K1723-I1727 PolarHBondContact O-N 2.93Å; K1723-I1727 VanDerWaalsContact O-N 3.12Å |
| 1724 | F | 87.1 | Confident | 76 | Confident | 0.4 Ų | 0.4 | 31.7 Ų | 31.7 | 0% | 0.002 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 174 | 168.6 | -94.3 | 0 | 0 | 0 | 111.1 | I1642 I1643 L1690 L1693 P1720 S1721 L1722 Q1726 I1727 A1728 | I1642-F1724 HydrophobicContact CB-CD2 4.2Å; I1642-F1724 HydrophobicContact CB-CE2 4.11Å; I1642-F1724 HydrophobicContact CD1-CD2 4.46Å; I1642-F1724 HydrophobicContact CD1-CE2 3.65Å; I1642-F1724 HydrophobicContact CD1-CZ 4.42Å; I1642-F1724 HydrophobicContact CG1-CE2 4.45Å; I1642-F1724 HydrophobicContact CG2-CD2 4.13Å; I1642-F1724 HydrophobicContact CG2-CE2 3.97Å; I1643-F1724 HydrophobicContact CD1-CB 3.91Å; I1643-F1724 HydrophobicContact CG1-CB 4.11Å; L1690-F1724 HydrophobicContact CD2-CE2 4.22Å; L1690-F1724 HydrophobicContact CD2-CZ 4.01Å; L1693-F1724 HydrophobicContact CD1-CE2 4.37Å; L1693-F1724 HydrophobicContact CD1-CZ 4.05Å; L1693-F1724 HydrophobicContact CD2-CE1 3.9Å; L1693-F1724 HydrophobicContact CD2-CE2 4.01Å; L1693-F1724 HydrophobicContact CD2-CZ 3.35Å; P1720-F1724 HydrophobicContact CB-CB 4.24Å; P1720-F1724 HydrophobicContact CB-CD1 3.39Å; P1720-F1724 VanDerWaalsContact CB-CD1 3.42Å; P1720-F1724 HydrophobicContact CB-CE1 4.01Å; P1720-F1724 HydrophobicContact CB-CG 4.02Å; P1720-F1724 HydrophobicContact CG-CD1 3.52Å; P1720-F1724 VanDerWaalsContact CG-CD1 3.49Å; P1720-F1724 HydrophobicContact CG-CE1 3.92Å; S1721-F1724 WeakPolarHBondContact O-CA 3.42Å; S1721-F1724 WeakPolarHBondContact O-CB 3.43Å; S1721-F1724 PolarHBondContact O-N 3.27Å; S1721-F1724 PolarHBondContact OG-N 3.09Å; L1722-F1724 VanDerWaalsContact C-N 3.34Å; L1722-F1724 PolarHBondContact O-N 3.03Å; F1724-Q1726 VanDerWaalsContact C-N 3.29Å; F1724-Q1726 PolarHBondContact O-N 3.19Å; F1724-I1727 PolarHBondContact O-N 3.2Å; F1724-I1727 VanDerWaalsContact O-N 3.11Å; F1724-A1728 HydrophobicContact CE1-CB 4.32Å; F1724-A1728 HydrophobicContact CZ-CB 4.33Å; F1724-A1728 WeakPolarHBondContact O-CB 3.35Å; F1724-A1728 PolarHBondContact O-N 3.03Å |
| 1725 | I | 85.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | -179.9 | -59.1 | 175.9 | 0 | 0 | 0 | 110.6 | P1720 S1721 L1722 I1727 A1728 L1729 I1747 L1750 A1917 L1920 L1921 | P1720-I1725 HydrophobicContact CG-CD1 4.23Å; P1720-I1725 HydrophobicContact CG-CG1 3.86Å; S1721-I1725 PolarHBondContact O-N 3.14Å; L1722-I1725 HydrophobicContact CD2-CD1 4.47Å; L1722-I1725 PolarHBondContact O-N 3.16Å; I1725-I1727 PolarHBondContact O-N 3.25Å; I1725-A1728 PolarHBondContact O-N 3.18Å; I1725-L1729 HydrophobicContact CG2-CD1 4.06Å; I1725-L1729 HydrophobicContact CG2-CG 4.4Å; I1725-L1729 WeakPolarHBondContact O-CB 3.36Å; I1725-L1729 VanDerWaalsContact O-CG 3.29Å; I1725-L1729 WeakPolarHBondContact O-CG 3.37Å; I1725-L1729 PolarHBondContact O-N 3.17Å; I1725-I1747 HydrophobicContact CG2-CD1 4.29Å; I1725-L1750 HydrophobicContact CD1-CD2 4.08Å; I1725-L1750 HydrophobicContact CG1-CD2 4.12Å; I1725-A1917 HydrophobicContact CD1-CB 3.52Å; I1725-A1917 VanDerWaalsContact CD1-CB 3.5Å; I1725-L1920 HydrophobicContact CB-CD2 4.06Å; I1725-L1920 HydrophobicContact CG2-CD2 3.67Å; I1725-L1920 VanDerWaalsContact CG2-CD2 3.46Å; I1725-L1920 HydrophobicContact CG2-CG 4.47Å; I1725-L1921 HydrophobicContact CG2-CD2 3.68Å; I1725-L1921 HydrophobicContact CG2-CG 4.07Å |
| 1726 | Q | 86.3 | Confident | 79.2 | Confident | 67.6 Ų | 67.6 | 40.1 Ų | 40.1 | 32% | 0.316 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 175.8 | -70.8 | 176.8 | -3.4 | 0 | 0 | 113 | Y1650 L1722 K1723 F1724 K1730 L1920 | Y1650-Q1726 PolarHBondContact OH-OE1 3.08Å; L1722-Q1726 WeakPolarHBondContact O-CG 3.31Å; L1722-Q1726 PolarHBondContact O-N 2.94Å; K1723-Q1726 PolarHBondContact O-N 3.16Å; F1724-Q1726 VanDerWaalsContact C-N 3.29Å; F1724-Q1726 PolarHBondContact O-N 3.19Å; Q1726-K1730 WeakPolarHBondContact O-CG 3.43Å; Q1726-K1730 PolarHBondContact O-N 3.14Å; Q1726-L1920 HydrophobicContact CG-CD1 4.08Å; Q1726-L1920 HydrophobicContact CG-CD2 4.15Å |
| 1727 | I | 84.5 | Confident | 80.3 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -47.9 | 176.1 | -68.6 | 169.5 | 0 | 0 | 0 | 109.8 | I1642 I1643 H1646 Y1650 K1723 F1724 I1725 L1729 K1730 L1731 | I1642-I1727 HydrophobicContact CG2-CG2 4.42Å; I1643-I1727 HydrophobicContact CB-CD1 4.28Å; I1643-I1727 HydrophobicContact CG1-CD1 3.97Å; I1643-I1727 HydrophobicContact CG2-CD1 4.37Å; H1646-I1727 HydrophobicContact CB-CD1 4.37Å; H1646-I1727 HydrophobicContact CB-CG2 3.92Å; Y1650-I1727 HydrophobicContact CD2-CD1 4.4Å; Y1650-I1727 HydrophobicContact CD2-CG1 4.1Å; Y1650-I1727 HydrophobicContact CE2-CG1 4.22Å; K1723-I1727 HydrophobicContact CG-CD1 4.38Å; K1723-I1727 WeakPolarHBondContact O-CG1 3.35Å; K1723-I1727 PolarHBondContact O-N 2.93Å; K1723-I1727 VanDerWaalsContact O-N 3.12Å; F1724-I1727 PolarHBondContact O-N 3.2Å; F1724-I1727 VanDerWaalsContact O-N 3.11Å; I1725-I1727 PolarHBondContact O-N 3.25Å; I1727-L1729 VanDerWaalsContact C-N 3.34Å; I1727-L1729 PolarHBondContact O-N 3.19Å; I1727-K1730 CarbonylContact O-C 3.51Å; I1727-K1730 WeakPolarHBondContact O-CA 3.34Å; I1727-K1730 WeakPolarHBondContact O-CB 3.31Å; I1727-K1730 PolarHBondContact O-N 3.13Å; I1727-K1730 VanDerWaalsContact O-N 3.09Å; I1727-L1731 HydrophobicContact CG2-CD1 4.03Å; I1727-L1731 HydrophobicContact CG2-CG 4.19Å; I1727-L1731 WeakPolarHBondContact O-CG 3.35Å; I1727-L1731 PolarHBondContact O-N 3.2Å |
| 1728 | A | 86.7 | Confident | 81.2 | Confident | 0.2 Ų | 0.2 | 41.3 Ų | 41.3 | 0% | 0.002 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1724 I1725 K1730 L1731 M1732 I1747 | F1724-A1728 HydrophobicContact CE1-CB 4.32Å; F1724-A1728 HydrophobicContact CZ-CB 4.33Å; F1724-A1728 WeakPolarHBondContact O-CB 3.35Å; F1724-A1728 PolarHBondContact O-N 3.03Å; I1725-A1728 PolarHBondContact O-N 3.18Å; A1728-K1730 VanDerWaalsContact C-N 3.31Å; A1728-K1730 PolarHBondContact O-N 3.16Å; A1728-L1731 WeakPolarHBondContact O-CB 3.29Å; A1728-L1731 PolarHBondContact O-N 3.03Å; A1728-L1731 VanDerWaalsContact O-N 3.15Å; A1728-M1732 WeakPolarHBondContact O-CG 3.27Å; A1728-M1732 PolarHBondContact O-N 3.25Å; A1728-M1732 VanDerWaalsContact O-N 3.08Å; A1728-I1747 HydrophobicContact CB-CD1 3.83Å; A1728-I1747 HydrophobicContact CB-CG1 4.07Å |
| 1729 | L | 87.2 | Confident | 82 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -36.2 | 173.5 | -74.5 | 169.7 | 0 | 0 | 0 | 112.6 | I1725 I1727 M1732 I1747 L1920 L1921 K1924 L1925 F1935 | I1725-L1729 HydrophobicContact CG2-CD1 4.06Å; I1725-L1729 HydrophobicContact CG2-CG 4.4Å; I1725-L1729 WeakPolarHBondContact O-CB 3.36Å; I1725-L1729 VanDerWaalsContact O-CG 3.29Å; I1725-L1729 WeakPolarHBondContact O-CG 3.37Å; I1725-L1729 PolarHBondContact O-N 3.17Å; I1727-L1729 VanDerWaalsContact C-N 3.34Å; I1727-L1729 PolarHBondContact O-N 3.19Å; L1729-M1732 HydrophobicContact CD2-SD 3.98Å; L1729-I1747 HydrophobicContact CD2-CD1 4.43Å; L1729-I1747 HydrophobicContact CD2-CG1 4.49Å; L1729-I1747 HydrophobicContact CD2-CG2 4.28Å; L1729-I1747 HydrophobicContact CG-CD1 4.36Å; L1729-L1920 HydrophobicContact CD1-CD2 3.82Å; L1729-L1921 HydrophobicContact CD1-CD2 4.36Å; L1729-L1921 HydrophobicContact CD2-CD2 4.25Å; L1729-L1921 HydrophobicContact CG-CD2 4.49Å; L1729-K1924 HydrophobicContact CD1-CB 3.82Å; L1729-K1924 HydrophobicContact CD1-CG 4.1Å; L1729-L1925 HydrophobicContact CD2-CD1 4.19Å; L1729-L1925 HydrophobicContact CD2-CD2 3.92Å; L1729-L1925 HydrophobicContact CD2-CG 4.09Å; L1729-F1935 WeakPolarHBondContact O-CE2 3.28Å |
| 1730 | K | 84.2 | Confident | 82.6 | Confident | 94 Ų | 94 | 39.4 Ų | 39.4 | 41% | 0.409 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -70.5 | -39.6 | 173.2 | -71.4 | 179.1 | -179.9 | -178.3 | 0 | 111.7 | Y1650 L1653 Q1726 I1727 A1728 M1732 V1733 S1734 | Y1650-K1730 HydrophobicContact CD2-CD 4.47Å; Y1650-K1730 HydrophobicContact CE2-CD 4.43Å; L1653-K1730 HydrophobicContact CD1-CD 3.72Å; L1653-K1730 VanDerWaalsContact CD1-CE 3.5Å; Q1726-K1730 WeakPolarHBondContact O-CG 3.43Å; Q1726-K1730 PolarHBondContact O-N 3.14Å; I1727-K1730 CarbonylContact O-C 3.51Å; I1727-K1730 WeakPolarHBondContact O-CA 3.34Å; I1727-K1730 WeakPolarHBondContact O-CB 3.31Å; I1727-K1730 PolarHBondContact O-N 3.13Å; I1727-K1730 VanDerWaalsContact O-N 3.09Å; A1728-K1730 VanDerWaalsContact C-N 3.31Å; A1728-K1730 PolarHBondContact O-N 3.16Å; K1730-M1732 VanDerWaalsContact C-N 3.26Å; K1730-M1732 PolarHBondContact O-N 3.11Å; K1730-V1733 CarbonylContact O-C 3.54Å; K1730-V1733 PolarHBondContact O-N 2.98Å; K1730-V1733 VanDerWaalsContact O-N 3.13Å; K1730-S1734 PolarHBondContact O-N 3.08Å |
| 1731 | L | 85.4 | Confident | 82.8 | Confident | 10.6 Ų | 10.6 | 39.5 Ų | 39.5 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -31.4 | 178.4 | -70.5 | 179.4 | 0 | 0 | 0 | 112.6 | W1683 T1686 L1690 I1727 A1728 V1733 S1734 V1739 A1740 A1743 | W1683-L1731 HydrophobicContact CH2-CD2 4.34Å; W1683-L1731 HydrophobicContact CZ3-CD2 3.84Å; T1686-L1731 HydrophobicContact CG2-CD1 4Å; L1690-L1731 HydrophobicContact CD1-CD1 4.31Å; I1727-L1731 HydrophobicContact CG2-CD1 4.03Å; I1727-L1731 HydrophobicContact CG2-CG 4.19Å; I1727-L1731 WeakPolarHBondContact O-CG 3.35Å; I1727-L1731 PolarHBondContact O-N 3.2Å; A1728-L1731 WeakPolarHBondContact O-CB 3.29Å; A1728-L1731 PolarHBondContact O-N 3.03Å; A1728-L1731 VanDerWaalsContact O-N 3.15Å; L1731-V1733 PolarHBondContact O-N 3.1Å; L1731-V1733 VanDerWaalsContact O-N 3.11Å; L1731-S1734 VanDerWaalsContact O-CB 3.28Å; L1731-S1734 WeakPolarHBondContact O-CB 3.28Å; L1731-S1734 PolarHBondContact O-N 3.22Å; L1731-S1734 PolarHBondContact O-OG 3.19Å; L1731-V1739 HydrophobicContact CB-CG1 4.18Å; L1731-V1739 HydrophobicContact CD1-CG1 4.3Å; L1731-V1739 HydrophobicContact CD2-CG1 3.91Å; L1731-V1739 HydrophobicContact CG-CG1 4.36Å; L1731-A1740 VanDerWaalsContact O-CA 3.27Å; L1731-A1740 WeakPolarHBondContact O-CA 3.27Å; L1731-A1743 HydrophobicContact CB-CB 3.8Å |
| 1732 | M | 86 | Confident | 82.8 | Confident | 0.2 Ų | 0.2 | 37.4 Ų | 37.4 | 0% | 0.001 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.4 | 173 | -69.9 | 174.7 | 70 | 0 | 0 | 113.6 | A1728 L1729 K1730 A1743 C1744 I1747 F1935 Q1942 L1964 | A1728-M1732 WeakPolarHBondContact O-CG 3.27Å; A1728-M1732 PolarHBondContact O-N 3.25Å; A1728-M1732 VanDerWaalsContact O-N 3.08Å; L1729-M1732 HydrophobicContact CD2-SD 3.98Å; K1730-M1732 VanDerWaalsContact C-N 3.26Å; K1730-M1732 PolarHBondContact O-N 3.11Å; M1732-A1743 HydrophobicContact CG-CB 3.87Å; M1732-C1744 HydrophobicContact CE-CB 4.19Å; M1732-C1744 VanDerWaalsContact CE-SG 3.53Å; M1732-C1744 WeakPolarHBondContact CE-SG 3.36Å; M1732-C1744 HydrophobicContact CG-CB 4.47Å; M1732-I1747 HydrophobicContact CE-CG2 4.47Å; M1732-I1747 HydrophobicContact CG-CG1 4.48Å; M1732-I1747 HydrophobicContact SD-CB 3.88Å; M1732-I1747 HydrophobicContact SD-CG1 3.79Å; M1732-I1747 HydrophobicContact SD-CG2 3.95Å; M1732-F1935 HydrophobicContact CB-CE2 4.18Å; M1732-F1935 HydrophobicContact CB-CZ 4.25Å; M1732-F1935 HydrophobicContact CE-CE1 4.46Å; M1732-F1935 HydrophobicContact CE-CZ 3.73Å; M1732-F1935 HydrophobicContact SD-CE2 4.5Å; M1732-F1935 HydrophobicContact SD-CZ 4.09Å; M1732-Q1942 PolarHBondContact O-OE1 3.24Å; M1732-Q1942 VanDerWaalsContact O-OE1 3.11Å; M1732-L1964 HydrophobicContact CE-CD1 3.73Å; M1732-L1964 HydrophobicContact CE-CD2 3.58Å; M1732-L1964 VanDerWaalsContact CE-CD2 3.43Å; M1732-L1964 HydrophobicContact CE-CG 4.32Å |
| 1733 | V | 81.6 | Confident | 83 | Confident | 40.8 Ų | 40.8 | 34.8 Ų | 34.8 | 25% | 0.247 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 21.6 | 178.9 | -161.2 | 0 | 0 | 0 | 0 | 110.9 | K1730 L1731 F1935 S1938 Q1942 | K1730-V1733 CarbonylContact O-C 3.54Å; K1730-V1733 PolarHBondContact O-N 2.98Å; K1730-V1733 VanDerWaalsContact O-N 3.13Å; L1731-V1733 PolarHBondContact O-N 3.1Å; L1731-V1733 VanDerWaalsContact O-N 3.11Å; V1733-F1935 HydrophobicContact CG2-CD2 3.41Å; V1733-F1935 VanDerWaalsContact CG2-CD2 3.45Å; V1733-F1935 HydrophobicContact CG2-CE2 3.38Å; V1733-F1935 VanDerWaalsContact CG2-CE2 3.43Å; V1733-F1935 HydrophobicContact CG2-CG 4.4Å; V1733-F1935 HydrophobicContact CG2-CZ 4.35Å; V1733-S1938 WeakPolarHBondContact CG1-OG 3.44Å; V1733-Q1942 PolarHBondContact O-NE2 3.33Å |
| 1734 | S | 79.4 | Confident | 83.2 | Confident | 17.8 Ų | 17.8 | 30.7 Ų | 30.7 | 12% | 0.124 | 15% | 0.15 | C | C | . | . | trans | -74.4 | 147 | 173.5 | 80.3 | 0 | 0 | 0 | 0 | 111.5 | K1730 L1731 Q1736 Q1942 | K1730-S1734 PolarHBondContact O-N 3.08Å; L1731-S1734 VanDerWaalsContact O-CB 3.28Å; L1731-S1734 WeakPolarHBondContact O-CB 3.28Å; L1731-S1734 PolarHBondContact O-N 3.22Å; L1731-S1734 PolarHBondContact O-OG 3.19Å; S1734-Q1736 PolarHBondContact O-N 3.22Å; S1734-Q1736 VanDerWaalsContact O-N 3.15Å; S1734-Q1736 PolarHBondContact OG-N 3.38Å; S1734-Q1736 PolarHBondContact OG-O 3.15Å; S1734-Q1942 VanDerWaalsContact C-NE2 3.32Å; S1734-Q1942 PolarHBondContact O-NE2 3.39Å; S1734-Q1942 PolarHBondContact O-OE1 3.05Å | ||
| 1735 | E | 74.8 | Confident | 83 | Confident | 184.8 Ų | 184.8 | 32.3 Ų | 32.3 | 86% | 0.864 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -63.3 | -19.7 | 175.5 | -63.1 | -177.5 | 169.4 | 0 | 0 | 112.6 | T1737 | E1735-T1737 PolarHBondContact O-N 2.99Å; E1735-T1737 VanDerWaalsContact O-N 3.14Å |
| 1736 | Q | 79.1 | Confident | 83 | Confident | 89.2 Ų | 89.2 | 32.4 Ų | 32.4 | 42% | 0.417 | 16% | 0.157 | S | C | . | . | trans | -81 | 101.1 | 177.2 | -64.8 | -80 | -19.3 | 0 | 0 | 110.8 | W1683 S1734 E1738 V1739 A1740 | W1683-Q1736 HydrophobicContact CD2-CB 4.24Å; W1683-Q1736 VanDerWaalsContact CD2-CD 3.43Å; W1683-Q1736 HydrophobicContact CD2-CG 3.96Å; W1683-Q1736 HydrophobicContact CE3-CB 4.17Å; W1683-Q1736 HydrophobicContact CE3-CG 4.26Å; W1683-Q1736 HydrophobicContact CG-CB 4.4Å; W1683-Q1736 HydrophobicContact CG-CG 3.98Å; W1683-Q1736 VanDerWaalsContact CG-NE2 3.3Å; W1683-Q1736 HydrophobicContact CH2-CG 4.27Å; W1683-Q1736 HydrophobicContact CZ2-CG 4.22Å; W1683-Q1736 HydrophobicContact CZ3-CG 4.35Å; S1734-Q1736 PolarHBondContact O-N 3.22Å; S1734-Q1736 VanDerWaalsContact O-N 3.15Å; S1734-Q1736 PolarHBondContact OG-N 3.38Å; S1734-Q1736 PolarHBondContact OG-O 3.15Å; Q1736-E1738 VanDerWaalsContact C-N 3.35Å; Q1736-E1738 PolarHBondContact O-N 3.1Å; Q1736-V1739 HydrophobicContact CB-CB 4.2Å; Q1736-V1739 HydrophobicContact CB-CG2 3.98Å; Q1736-V1739 WeakPolarHBondContact O-CB 3.38Å; Q1736-V1739 PolarHBondContact O-N 3.08Å; Q1736-V1739 VanDerWaalsContact O-N 3.13Å; Q1736-A1740 PolarHBondContact O-N 3.06Å | ||
| 1737 | T | 75.3 | Confident | 83.1 | Confident | 30.2 Ų | 30.2 | 29.2 Ų | 29.2 | 19% | 0.185 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -52.7 | -48.9 | -173.5 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | E1735 V1739 A1740 F1741 F1951 | E1735-T1737 PolarHBondContact O-N 2.99Å; E1735-T1737 VanDerWaalsContact O-N 3.14Å; T1737-V1739 VanDerWaalsContact C-N 3.29Å; T1737-V1739 PolarHBondContact O-N 2.93Å; T1737-A1740 PolarHBondContact O-N 2.98Å; T1737-F1741 HydrophobicContact CG2-CE2 4.46Å; T1737-F1741 VanDerWaalsContact O-CD2 3.23Å; T1737-F1741 WeakPolarHBondContact O-CD2 3.36Å; T1737-F1741 PolarHBondContact O-N 3.13Å; T1737-F1951 VanDerWaalsContact OG1-CE2 3.22Å; T1737-F1951 WeakPolarHBondContact OG1-CE2 3.45Å |
| 1738 | E | 78.2 | Confident | 83.2 | Confident | 69.6 Ų | 69.6 | 28.8 Ų | 28.8 | 33% | 0.325 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -59 | -39.8 | -179.3 | -64.3 | -168.5 | 152.9 | 0 | 0 | 112.9 | V1687 Q1736 T1742 F1951 | V1687-E1738 HydrophobicContact CG1-CB 4.38Å; V1687-E1738 HydrophobicContact CG2-CB 3.79Å; Q1736-E1738 VanDerWaalsContact C-N 3.35Å; Q1736-E1738 PolarHBondContact O-N 3.1Å; E1738-T1742 WeakPolarHBondContact O-CB 3.26Å; E1738-T1742 WeakPolarHBondContact O-CG2 3.42Å; E1738-T1742 PolarHBondContact O-N 3.38Å; E1738-T1742 PolarHBondContact O-OG1 2.95Å; E1738-F1951 VanDerWaalsContact CD-CE1 3.4Å; E1738-F1951 VanDerWaalsContact CD-CZ 3.49Å; E1738-F1951 HydrophobicContact CG-CD1 4.3Å; E1738-F1951 HydrophobicContact CG-CD2 4.49Å; E1738-F1951 HydrophobicContact CG-CE1 3.78Å; E1738-F1951 HydrophobicContact CG-CE2 3.93Å; E1738-F1951 HydrophobicContact CG-CZ 3.51Å; E1738-F1951 VanDerWaalsContact CG-CZ 3.41Å; E1738-F1951 WeakPolarHBondContact OE1-CD1 3.46Å; E1738-F1951 WeakPolarHBondContact OE1-CE1 3.28Å; E1738-F1951 WeakPolarHBondContact OE1-CE2 3.49Å; E1738-F1951 WeakPolarHBondContact OE1-CZ 3.26Å |
| 1739 | V | 81.5 | Confident | 82.9 | Confident | 1.2 Ų | 1.2 | 29.7 Ų | 29.7 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.6 | -44.6 | -179.9 | -179 | 0 | 0 | 0 | 0 | 109.7 | W1683 T1686 V1687 L1731 Q1736 T1737 F1741 T1742 A1743 | W1683-V1739 HydrophobicContact CB-CG2 3.87Å; W1683-V1739 HydrophobicContact CD2-CG2 4.15Å; W1683-V1739 HydrophobicContact CE3-CB 4.15Å; W1683-V1739 HydrophobicContact CE3-CG1 3.93Å; W1683-V1739 HydrophobicContact CE3-CG2 3.5Å; W1683-V1739 VanDerWaalsContact CE3-CG2 3.47Å; W1683-V1739 HydrophobicContact CG-CG2 4.32Å; W1683-V1739 HydrophobicContact CZ3-CB 4.42Å; W1683-V1739 HydrophobicContact CZ3-CG1 4.01Å; W1683-V1739 HydrophobicContact CZ3-CG2 4.32Å; T1686-V1739 HydrophobicContact CG2-CG1 4.21Å; V1687-V1739 HydrophobicContact CG2-CB 4.27Å; V1687-V1739 HydrophobicContact CG2-CG2 3.56Å; V1687-V1739 VanDerWaalsContact CG2-CG2 3.49Å; L1731-V1739 HydrophobicContact CB-CG1 4.18Å; L1731-V1739 HydrophobicContact CD1-CG1 4.3Å; L1731-V1739 HydrophobicContact CD2-CG1 3.91Å; L1731-V1739 HydrophobicContact CG-CG1 4.36Å; Q1736-V1739 HydrophobicContact CB-CB 4.2Å; Q1736-V1739 HydrophobicContact CB-CG2 3.98Å; Q1736-V1739 WeakPolarHBondContact O-CB 3.38Å; Q1736-V1739 PolarHBondContact O-N 3.08Å; Q1736-V1739 VanDerWaalsContact O-N 3.13Å; T1737-V1739 VanDerWaalsContact C-N 3.29Å; T1737-V1739 PolarHBondContact O-N 2.93Å; V1739-F1741 PolarHBondContact O-N 3.04Å; V1739-T1742 WeakPolarHBondContact CA-OG1 3.41Å; V1739-T1742 PolarHBondContact O-N 3.34Å; V1739-T1742 PolarHBondContact O-OG1 3.08Å; V1739-T1742 VanDerWaalsContact O-OG1 3.08Å; V1739-A1743 VanDerWaalsContact O-CB 3.25Å; V1739-A1743 WeakPolarHBondContact O-CB 3.25Å; V1739-A1743 PolarHBondContact O-N 3.04Å |
| 1740 | A | 83.1 | Confident | 82.7 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.025 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.9 | -48.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1731 Q1736 T1737 A1743 C1744 | L1731-A1740 VanDerWaalsContact O-CA 3.27Å; L1731-A1740 WeakPolarHBondContact O-CA 3.27Å; Q1736-A1740 PolarHBondContact O-N 3.06Å; T1737-A1740 PolarHBondContact O-N 2.98Å; A1740-A1743 PolarHBondContact O-N 3.08Å; A1740-C1744 WeakPolarHBondContact O-CB 3.42Å; A1740-C1744 PolarHBondContact O-N 3.14Å; A1740-C1744 PolarHBondContact O-SG 3.03Å |
| 1741 | F | 83.4 | Confident | 82.7 | Confident | 8.6 Ų | 8.6 | 24.7 Ų | 24.7 | 4% | 0.038 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.6 | -41.1 | 179.4 | -74.2 | -67.5 | 0 | 0 | 0 | 113.1 | T1737 V1739 A1743 C1744 R1745 L1943 I1946 Y1957 T1960 I1961 | T1737-F1741 HydrophobicContact CG2-CE2 4.46Å; T1737-F1741 VanDerWaalsContact O-CD2 3.23Å; T1737-F1741 WeakPolarHBondContact O-CD2 3.36Å; T1737-F1741 PolarHBondContact O-N 3.13Å; V1739-F1741 PolarHBondContact O-N 3.04Å; F1741-A1743 VanDerWaalsContact C-N 3.31Å; F1741-A1743 PolarHBondContact O-N 3.19Å; F1741-C1744 WeakPolarHBondContact O-CB 3.19Å; F1741-C1744 PolarHBondContact O-N 3.17Å; F1741-C1744 VanDerWaalsContact O-N 3.15Å; F1741-R1745 WeakPolarHBondContact O-CB 3.36Å; F1741-R1745 PolarHBondContact O-N 3.01Å; F1741-L1943 HydrophobicContact CE1-CD2 3.93Å; F1741-L1943 HydrophobicContact CE2-CD2 4.48Å; F1741-L1943 HydrophobicContact CZ-CD2 3.82Å; F1741-I1946 HydrophobicContact CE1-CD1 4.3Å; F1741-I1946 HydrophobicContact CE2-CD1 3.82Å; F1741-I1946 VanDerWaalsContact CE2-CD1 3.45Å; F1741-I1946 HydrophobicContact CE2-CG1 4.15Å; F1741-I1946 HydrophobicContact CZ-CD1 3.39Å; F1741-I1946 VanDerWaalsContact CZ-CD1 3.43Å; F1741-I1946 HydrophobicContact CZ-CG1 4.09Å; F1741-Y1957 HydrophobicContact CB-CD1 3.58Å; F1741-Y1957 HydrophobicContact CB-CE1 3.88Å; F1741-Y1957 HydrophobicContact CB-CG 4.35Å; F1741-Y1957 AromaticContact CD1-CD1 3.83Å; F1741-Y1957 HydrophobicContact CD1-CD1 3.92Å; F1741-Y1957 HydrophobicContact CD1-CG 4.17Å; F1741-Y1957 AromaticContact CD2-CD1 3.32Å; F1741-Y1957 HydrophobicContact CD2-CD1 3.32Å; F1741-Y1957 HydrophobicContact CD2-CD2 4.21Å; F1741-Y1957 AromaticContact CD2-CE1 3.64Å; F1741-Y1957 HydrophobicContact CD2-CE1 3.64Å; F1741-Y1957 HydrophobicContact CD2-CE2 4.35Å; F1741-Y1957 AromaticContact CD2-CG 3.65Å; F1741-Y1957 HydrophobicContact CD2-CG 3.65Å; F1741-Y1957 VanDerWaalsContact CD2-CG 3.42Å; F1741-Y1957 HydrophobicContact CE1-CD1 4.37Å; F1741-Y1957 HydrophobicContact CE1-CG 4.32Å; F1741-Y1957 AromaticContact CE2-CD1 3.98Å; F1741-Y1957 HydrophobicContact CE2-CD1 4.03Å; F1741-Y1957 HydrophobicContact CE2-CD2 4.18Å; F1741-Y1957 HydrophobicContact CE2-CE1 4.46Å; F1741-Y1957 AromaticContact CE2-CG 3.86Å; F1741-Y1957 HydrophobicContact CE2-CG 3.86Å; F1741-Y1957 AromaticContact CG-CD1 3.31Å; F1741-Y1957 HydrophobicContact CG-CD1 3.31Å; F1741-Y1957 AromaticContact CG-CE1 3.89Å; F1741-Y1957 HydrophobicContact CG-CE1 3.89Å; F1741-Y1957 AromaticContact CG-CG 3.87Å; F1741-Y1957 HydrophobicContact CG-CG 3.87Å; F1741-Y1957 HydrophobicContact CZ-CD1 4.44Å; F1741-Y1957 HydrophobicContact CZ-CG 4.2Å; F1741-T1960 HydrophobicContact CD1-CG2 4.29Å; F1741-T1960 VanDerWaalsContact O-CG2 3.28Å; F1741-T1960 WeakPolarHBondContact O-CG2 3.31Å; F1741-I1961 HydrophobicContact CD1-CD1 4.19Å; F1741-I1961 HydrophobicContact CD1-CG1 4.22Å; F1741-I1961 HydrophobicContact CE1-CD1 3.78Å; F1741-I1961 HydrophobicContact CE1-CG1 3.74Å; F1741-I1961 HydrophobicContact CZ-CD1 4.4Å; F1741-I1961 HydrophobicContact CZ-CG1 4.46Å |
| 1742 | T | 82.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.5 | -36 | 177 | 34.5 | 0 | 0 | 0 | 0 | 112 | V1687 L1690 E1691 E1738 V1739 R1745 C1746 | V1687-T1742 HydrophobicContact CG1-CG2 3.99Å; L1690-T1742 HydrophobicContact CB-CG2 3.37Å; L1690-T1742 HydrophobicContact CD1-CG2 4.49Å; E1691-T1742 HydrophobicContact CB-CG2 4.24Å; E1691-T1742 HydrophobicContact CG-CG2 3.54Å; E1691-T1742 VanDerWaalsContact CG-CG2 3.49Å; E1738-T1742 WeakPolarHBondContact O-CB 3.26Å; E1738-T1742 WeakPolarHBondContact O-CG2 3.42Å; E1738-T1742 PolarHBondContact O-N 3.38Å; E1738-T1742 PolarHBondContact O-OG1 2.95Å; V1739-T1742 WeakPolarHBondContact CA-OG1 3.41Å; V1739-T1742 PolarHBondContact O-N 3.34Å; V1739-T1742 PolarHBondContact O-OG1 3.08Å; V1739-T1742 VanDerWaalsContact O-OG1 3.08Å; T1742-R1745 PolarHBondContact O-N 3.14Å; T1742-C1746 VanDerWaalsContact O-CB 3.28Å; T1742-C1746 WeakPolarHBondContact O-CB 3.42Å; T1742-C1746 PolarHBondContact O-N 3.11Å |
| 1743 | A | 86.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1690 L1731 M1732 V1739 A1740 F1741 R1745 C1746 I1747 | L1690-A1743 HydrophobicContact CD1-CB 4.14Å; L1731-A1743 HydrophobicContact CB-CB 3.8Å; M1732-A1743 HydrophobicContact CG-CB 3.87Å; V1739-A1743 VanDerWaalsContact O-CB 3.25Å; V1739-A1743 WeakPolarHBondContact O-CB 3.25Å; V1739-A1743 PolarHBondContact O-N 3.04Å; A1740-A1743 PolarHBondContact O-N 3.08Å; F1741-A1743 VanDerWaalsContact C-N 3.31Å; F1741-A1743 PolarHBondContact O-N 3.19Å; A1743-R1745 VanDerWaalsContact C-N 3.32Å; A1743-R1745 PolarHBondContact O-N 3.31Å; A1743-C1746 PolarHBondContact O-N 3.14Å; A1743-I1747 WeakPolarHBondContact O-CB 3.28Å; A1743-I1747 WeakPolarHBondContact O-CG1 3.34Å; A1743-I1747 PolarHBondContact O-N 3.22Å |
| 1744 | C | 87.2 | Confident | 81.6 | Confident | 1.2 Ų | 1.2 | 24.4 Ų | 24.4 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.6 | -45.3 | 174.7 | -73.9 | 0 | 0 | 0 | 0 | 111.4 | M1732 A1740 F1741 I1747 S1748 T1960 L1964 | M1732-C1744 HydrophobicContact CE-CB 4.19Å; M1732-C1744 VanDerWaalsContact CE-SG 3.53Å; M1732-C1744 WeakPolarHBondContact CE-SG 3.36Å; M1732-C1744 HydrophobicContact CG-CB 4.47Å; A1740-C1744 WeakPolarHBondContact O-CB 3.42Å; A1740-C1744 PolarHBondContact O-N 3.14Å; A1740-C1744 PolarHBondContact O-SG 3.03Å; F1741-C1744 WeakPolarHBondContact O-CB 3.19Å; F1741-C1744 PolarHBondContact O-N 3.17Å; F1741-C1744 VanDerWaalsContact O-N 3.15Å; C1744-I1747 PolarHBondContact O-N 3.11Å; C1744-S1748 VanDerWaalsContact O-CB 3.24Å; C1744-S1748 WeakPolarHBondContact O-CB 3.33Å; C1744-S1748 PolarHBondContact O-N 2.99Å; C1744-S1748 PolarHBondContact O-OG 3.13Å; C1744-S1748 VanDerWaalsContact O-OG 3.05Å; C1744-T1960 HydrophobicContact CB-CG2 3.86Å; C1744-L1964 HydrophobicContact CB-CD2 4.26Å |
| 1745 | R | 84.7 | Confident | 81.6 | Confident | 35 Ų | 35 | 23.7 Ų | 23.7 | 13% | 0.132 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 176 | -173.6 | -176.9 | 132.9 | 139.4 | 10.4 | 111.5 | L1690 E1691 L1693 F1741 T1742 A1743 I1747 S1748 E1749 Y1956 T1960 | L1690-R1745 PolarHBondContact O-NH2 3.05Å; E1691-R1745 VanDerWaalsContact C-NH2 3.28Å; E1691-R1745 VanDerWaalsContact CA-NH2 3.26Å; E1691-R1745 PolarHBondContact O-NH2 2.95Å; L1693-R1745 PolarHBondContact O-NH2 3.03Å; F1741-R1745 WeakPolarHBondContact O-CB 3.36Å; F1741-R1745 PolarHBondContact O-N 3.01Å; T1742-R1745 PolarHBondContact O-N 3.14Å; A1743-R1745 VanDerWaalsContact C-N 3.32Å; A1743-R1745 PolarHBondContact O-N 3.31Å; R1745-I1747 VanDerWaalsContact C-N 3.34Å; R1745-I1747 PolarHBondContact O-N 3.22Å; R1745-S1748 VanDerWaalsContact CA-OG 3.29Å; R1745-S1748 WeakPolarHBondContact CA-OG 3.32Å; R1745-S1748 WeakPolarHBondContact O-CB 3.46Å; R1745-S1748 PolarHBondContact O-N 3.11Å; R1745-S1748 VanDerWaalsContact O-N 3.14Å; R1745-S1748 PolarHBondContact O-OG 3.21Å; R1745-E1749 HydrophobicContact CG-CG 4.45Å; R1745-E1749 IonicContact CZ-OE1 3.52Å; R1745-E1749 IonicContact NE-OE1 3.48Å; R1745-E1749 PolarHBondContact NE-OE1 2.9Å; R1745-E1749 IonicContact NH1-OE1 3.12Å; R1745-E1749 PolarHBondContact NH1-OE1 3.11Å; R1745-E1749 IonicContact NH1-OE2 3.35Å; R1745-E1749 PolarHBondContact NH1-OE2 2.91Å; R1745-E1749 IonicContact NH2-OE1 2.9Å; R1745-E1749 PolarHBondContact NH2-OE1 3.27Å; R1745-E1749 VanDerWaalsContact NH2-OE1 3.12Å; R1745-E1749 WeakPolarHBondContact O-CB 3.3Å; R1745-E1749 WeakPolarHBondContact O-CG 3.31Å; R1745-E1749 PolarHBondContact O-N 3.3Å; R1745-Y1956 VanDerWaalsContact CD-OH 3.25Å; R1745-Y1956 WeakPolarHBondContact CD-OH 3.2Å; R1745-Y1956 PolarHBondContact NE-OH 2.91Å; R1745-Y1956 PolarHBondContact NH1-OH 3.09Å; R1745-T1960 HydrophobicContact CB-CG2 3.78Å; R1745-T1960 HydrophobicContact CG-CG2 4.45Å |
| 1746 | C | 85 | Confident | 81.5 | Confident | 1.2 Ų | 1.2 | 14.9 Ų | 14.9 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 179.4 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | L1690 Y1695 T1742 A1743 E1749 L1750 | L1690-C1746 HydrophobicContact CD2-CB 4.29Å; Y1695-C1746 WeakPolarHBondContact CE2-O 3.4Å; T1742-C1746 VanDerWaalsContact O-CB 3.28Å; T1742-C1746 WeakPolarHBondContact O-CB 3.42Å; T1742-C1746 PolarHBondContact O-N 3.11Å; A1743-C1746 PolarHBondContact O-N 3.14Å; C1746-E1749 PolarHBondContact O-N 3.18Å; C1746-L1750 WeakPolarHBondContact O-CB 3.34Å; C1746-L1750 PolarHBondContact O-N 3.14Å |
| 1747 | I | 88.1 | Confident | 81 | Confident | 0.2 Ų | 0.2 | 13.3 Ų | 13.3 | 0% | 0.001 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.4 | -39.7 | 178.5 | -69.5 | -65.7 | 0 | 0 | 0 | 111.7 | I1725 A1728 L1729 M1732 A1743 C1744 R1745 L1750 I1751 L1921 L1925 L1964 | I1725-I1747 HydrophobicContact CG2-CD1 4.29Å; A1728-I1747 HydrophobicContact CB-CD1 3.83Å; A1728-I1747 HydrophobicContact CB-CG1 4.07Å; L1729-I1747 HydrophobicContact CD2-CD1 4.43Å; L1729-I1747 HydrophobicContact CD2-CG1 4.49Å; L1729-I1747 HydrophobicContact CD2-CG2 4.28Å; L1729-I1747 HydrophobicContact CG-CD1 4.36Å; M1732-I1747 HydrophobicContact CE-CG2 4.47Å; M1732-I1747 HydrophobicContact CG-CG1 4.48Å; M1732-I1747 HydrophobicContact SD-CB 3.88Å; M1732-I1747 HydrophobicContact SD-CG1 3.79Å; M1732-I1747 HydrophobicContact SD-CG2 3.95Å; A1743-I1747 WeakPolarHBondContact O-CB 3.28Å; A1743-I1747 WeakPolarHBondContact O-CG1 3.34Å; A1743-I1747 PolarHBondContact O-N 3.22Å; C1744-I1747 PolarHBondContact O-N 3.11Å; R1745-I1747 VanDerWaalsContact C-N 3.34Å; R1745-I1747 PolarHBondContact O-N 3.22Å; I1747-L1750 HydrophobicContact CD1-CD2 4.44Å; I1747-L1750 WeakPolarHBondContact O-CB 3.38Å; I1747-L1750 PolarHBondContact O-N 3.09Å; I1747-I1751 HydrophobicContact CG2-CD1 3.59Å; I1747-I1751 HydrophobicContact CG2-CG1 4.23Å; I1747-I1751 WeakPolarHBondContact O-CB 3.32Å; I1747-I1751 WeakPolarHBondContact O-CD1 3.18Å; I1747-I1751 VanDerWaalsContact O-CG1 3.22Å; I1747-I1751 WeakPolarHBondContact O-CG1 3.42Å; I1747-I1751 PolarHBondContact O-N 3.09Å; I1747-L1921 HydrophobicContact CD1-CD2 4.22Å; I1747-L1921 HydrophobicContact CG2-CD2 4.1Å; I1747-L1925 HydrophobicContact CG2-CD1 4.29Å; I1747-L1964 HydrophobicContact CG2-CD1 4.46Å |
| 1748 | S | 85.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 177.3 | 43.6 | 0 | 0 | 0 | 0 | 112.5 | C1744 R1745 L1750 I1751 F1752 Y1963 L1964 S1967 | C1744-S1748 VanDerWaalsContact O-CB 3.24Å; C1744-S1748 WeakPolarHBondContact O-CB 3.33Å; C1744-S1748 PolarHBondContact O-N 2.99Å; C1744-S1748 PolarHBondContact O-OG 3.13Å; C1744-S1748 VanDerWaalsContact O-OG 3.05Å; R1745-S1748 VanDerWaalsContact CA-OG 3.29Å; R1745-S1748 WeakPolarHBondContact CA-OG 3.32Å; R1745-S1748 WeakPolarHBondContact O-CB 3.46Å; R1745-S1748 PolarHBondContact O-N 3.11Å; R1745-S1748 VanDerWaalsContact O-N 3.14Å; R1745-S1748 PolarHBondContact O-OG 3.21Å; S1748-L1750 VanDerWaalsContact C-N 3.32Å; S1748-L1750 PolarHBondContact O-N 3.18Å; S1748-I1751 PolarHBondContact O-N 3.24Å; S1748-F1752 WeakPolarHBondContact O-CB 3.35Å; S1748-F1752 PolarHBondContact O-N 3.28Å; S1748-Y1963 VanDerWaalsContact OG-CD1 3.24Å; S1748-Y1963 WeakPolarHBondContact OG-CD1 3.39Å; S1748-L1964 WeakPolarHBondContact OG-CA 3.49Å; S1748-L1964 VanDerWaalsContact OG-CB 3.26Å; S1748-L1964 WeakPolarHBondContact OG-CB 3.43Å; S1748-L1964 WeakPolarHBondContact OG-CD1 3.17Å; S1748-L1964 PolarHBondContact OG-N 3.06Å; S1748-S1967 PolarHBondContact O-OG 3.22Å |
| 1749 | E | 80.5 | Confident | 80.5 | Confident | 18.4 Ų | 18.4 | 11.9 Ų | 11.9 | 9% | 0.086 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 174.1 | -71.5 | -179.7 | -172.7 | 0 | 0 | 111 | R1694 Y1695 V1697 R1745 C1746 I1751 F1752 S1753 Y1963 | R1694-E1749 WeakPolarHBondContact CA-OE2 3.42Å; R1694-E1749 WeakPolarHBondContact CB-OE2 3.34Å; Y1695-E1749 HydrophobicContact CD2-CB 4.04Å; Y1695-E1749 HydrophobicContact CG-CB 4.46Å; Y1695-E1749 PolarHBondContact N-OE2 3.16Å; Y1695-E1749 VanDerWaalsContact N-OE2 3.08Å; Y1695-E1749 WeakPolarHBondContact O-CB 3.12Å; V1697-E1749 HydrophobicContact CG2-CB 4.06Å; V1697-E1749 HydrophobicContact CG2-CG 4.24Å; R1745-E1749 HydrophobicContact CG-CG 4.45Å; R1745-E1749 IonicContact CZ-OE1 3.52Å; R1745-E1749 IonicContact NE-OE1 3.48Å; R1745-E1749 PolarHBondContact NE-OE1 2.9Å; R1745-E1749 IonicContact NH1-OE1 3.12Å; R1745-E1749 PolarHBondContact NH1-OE1 3.11Å; R1745-E1749 IonicContact NH1-OE2 3.35Å; R1745-E1749 PolarHBondContact NH1-OE2 2.91Å; R1745-E1749 IonicContact NH2-OE1 2.9Å; R1745-E1749 PolarHBondContact NH2-OE1 3.27Å; R1745-E1749 VanDerWaalsContact NH2-OE1 3.12Å; R1745-E1749 WeakPolarHBondContact O-CB 3.3Å; R1745-E1749 WeakPolarHBondContact O-CG 3.31Å; R1745-E1749 PolarHBondContact O-N 3.3Å; C1746-E1749 PolarHBondContact O-N 3.18Å; E1749-I1751 PolarHBondContact O-N 2.88Å; E1749-F1752 PolarHBondContact O-N 3.24Å; E1749-S1753 VanDerWaalsContact O-CB 3.28Å; E1749-S1753 WeakPolarHBondContact O-CB 3.33Å; E1749-S1753 PolarHBondContact O-N 3.06Å; E1749-S1753 PolarHBondContact O-OG 2.93Å; E1749-S1753 VanDerWaalsContact O-OG 3.14Å; E1749-Y1963 HydrophobicContact CB-CE1 4.21Å; E1749-Y1963 HydrophobicContact CG-CD1 4.43Å; E1749-Y1963 HydrophobicContact CG-CE1 3.65Å; E1749-Y1963 VanDerWaalsContact CG-CE1 3.5Å |
| 1750 | L | 83 | Confident | 80 | Confident | 2.2 Ų | 2.2 | 14.6 Ų | 14.6 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.7 | -47.8 | 175.7 | -178.4 | 64.6 | 0 | 0 | 0 | 112.2 | Y1695 P1720 I1725 C1746 I1747 S1748 F1752 S1753 L1754 L1921 | Y1695-L1750 HydrophobicContact CD1-CD1 4.12Å; Y1695-L1750 HydrophobicContact CD2-CB 3.97Å; Y1695-L1750 HydrophobicContact CD2-CD1 4.38Å; Y1695-L1750 HydrophobicContact CE1-CD1 3.76Å; Y1695-L1750 HydrophobicContact CE2-CB 3.84Å; Y1695-L1750 HydrophobicContact CE2-CD1 4.14Å; Y1695-L1750 HydrophobicContact CE2-CG 4.44Å; Y1695-L1750 HydrophobicContact CG-CB 4.45Å; Y1695-L1750 HydrophobicContact CG-CD1 4.46Å; P1720-L1750 HydrophobicContact CG-CD1 4.47Å; P1720-L1750 HydrophobicContact CG-CD2 4.16Å; I1725-L1750 HydrophobicContact CD1-CD2 4.08Å; I1725-L1750 HydrophobicContact CG1-CD2 4.12Å; C1746-L1750 WeakPolarHBondContact O-CB 3.34Å; C1746-L1750 PolarHBondContact O-N 3.14Å; I1747-L1750 HydrophobicContact CD1-CD2 4.44Å; I1747-L1750 WeakPolarHBondContact O-CB 3.38Å; I1747-L1750 PolarHBondContact O-N 3.09Å; S1748-L1750 VanDerWaalsContact C-N 3.32Å; S1748-L1750 PolarHBondContact O-N 3.18Å; L1750-F1752 VanDerWaalsContact C-N 3.33Å; L1750-F1752 PolarHBondContact O-N 3.02Å; L1750-S1753 PolarHBondContact O-N 3.33Å; L1750-L1754 HydrophobicContact CD1-CD1 3.69Å; L1750-L1754 HydrophobicContact CD1-CG 3.94Å; L1750-L1754 HydrophobicContact CD2-CD1 4.47Å; L1750-L1754 HydrophobicContact CG-CD1 3.78Å; L1750-L1754 HydrophobicContact CG-CG 4.35Å; L1750-L1754 VanDerWaalsContact O-CB 3.31Å; L1750-L1754 WeakPolarHBondContact O-CB 3.32Å; L1750-L1754 VanDerWaalsContact O-CG 3.3Å; L1750-L1754 WeakPolarHBondContact O-CG 3.29Å; L1750-L1754 PolarHBondContact O-N 3.1Å; L1750-L1921 HydrophobicContact CD2-CD1 4.15Å; L1750-L1921 HydrophobicContact CG-CD1 4.34Å |
| 1751 | I | 84.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 178.3 | -71.8 | 164.9 | 0 | 0 | 0 | 110.6 | I1747 S1748 E1749 L1754 I1755 G1756 L1921 L1925 S1967 A1971 F1972 | I1747-I1751 HydrophobicContact CG2-CD1 3.59Å; I1747-I1751 HydrophobicContact CG2-CG1 4.23Å; I1747-I1751 WeakPolarHBondContact O-CB 3.32Å; I1747-I1751 WeakPolarHBondContact O-CD1 3.18Å; I1747-I1751 VanDerWaalsContact O-CG1 3.22Å; I1747-I1751 WeakPolarHBondContact O-CG1 3.42Å; I1747-I1751 PolarHBondContact O-N 3.09Å; S1748-I1751 PolarHBondContact O-N 3.24Å; E1749-I1751 PolarHBondContact O-N 2.88Å; I1751-L1754 PolarHBondContact O-N 3.41Å; I1751-I1755 PolarHBondContact O-N 3.07Å; I1751-G1756 PolarHBondContact O-N 3.3Å; I1751-G1756 VanDerWaalsContact O-N 3.07Å; I1751-L1921 HydrophobicContact CD1-CD2 4.47Å; I1751-L1921 HydrophobicContact CG1-CD1 3.94Å; I1751-L1921 HydrophobicContact CG1-CD2 4.3Å; I1751-L1921 HydrophobicContact CG1-CG 4.5Å; I1751-L1925 HydrophobicContact CD1-CD1 3.44Å; I1751-L1925 VanDerWaalsContact CD1-CD1 3.44Å; I1751-S1967 WeakPolarHBondContact CG2-O 3.48Å; I1751-A1971 HydrophobicContact CG2-CB 3.44Å; I1751-A1971 VanDerWaalsContact CG2-CB 3.45Å; I1751-F1972 HydrophobicContact CD1-CE2 4.32Å; I1751-F1972 HydrophobicContact CD1-CZ 4.45Å; I1751-F1972 HydrophobicContact CG1-CZ 4.45Å; I1751-F1972 HydrophobicContact CG2-CE2 4.37Å; I1751-F1972 HydrophobicContact CG2-CZ 4.28Å |
| 1752 | F | 79.4 | Confident | 78.5 | Confident | 16.4 Ų | 16.4 | 18.5 Ų | 18.5 | 7% | 0.072 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 179.6 | -170.3 | -89.7 | 0 | 0 | 0 | 111.4 | V1697 P1700 F1701 S1748 E1749 L1750 G1756 F1757 I1760 Y1963 L1970 | V1697-F1752 HydrophobicContact CB-CD1 4.23Å; V1697-F1752 HydrophobicContact CB-CE1 4.42Å; V1697-F1752 HydrophobicContact CG1-CD1 3.59Å; V1697-F1752 VanDerWaalsContact CG1-CD1 3.42Å; V1697-F1752 HydrophobicContact CG1-CD2 4.5Å; V1697-F1752 HydrophobicContact CG1-CE1 3.43Å; V1697-F1752 VanDerWaalsContact CG1-CE1 3.41Å; V1697-F1752 HydrophobicContact CG1-CG 3.97Å; V1697-F1752 HydrophobicContact CG1-CZ 4.27Å; V1697-F1752 HydrophobicContact CG2-CB 4.05Å; V1697-F1752 HydrophobicContact CG2-CD1 3.78Å; V1697-F1752 VanDerWaalsContact CG2-CD1 3.5Å; V1697-F1752 HydrophobicContact CG2-CE1 3.69Å; V1697-F1752 HydrophobicContact CG2-CG 4.2Å; P1700-F1752 HydrophobicContact CB-CE1 3.94Å; P1700-F1752 HydrophobicContact CB-CE2 3.85Å; P1700-F1752 HydrophobicContact CB-CZ 3.35Å; P1700-F1752 HydrophobicContact CG-CE2 4.34Å; P1700-F1752 HydrophobicContact CG-CZ 4.15Å; F1701-F1752 HydrophobicContact CE1-CE2 4.49Å; F1701-F1752 AromaticContact CE2-CE1 3.8Å; F1701-F1752 HydrophobicContact CE2-CE1 3.8Å; F1701-F1752 HydrophobicContact CE2-CE2 4.2Å; F1701-F1752 AromaticContact CE2-CZ 3.57Å; F1701-F1752 HydrophobicContact CE2-CZ 3.92Å; F1701-F1752 AromaticContact CZ-CD2 4Å; F1701-F1752 HydrophobicContact CZ-CD2 4Å; F1701-F1752 HydrophobicContact CZ-CE1 4.2Å; F1701-F1752 AromaticContact CZ-CE2 3.53Å; F1701-F1752 HydrophobicContact CZ-CE2 3.53Å; F1701-F1752 AromaticContact CZ-CZ 3.82Å; F1701-F1752 HydrophobicContact CZ-CZ 3.82Å; S1748-F1752 WeakPolarHBondContact O-CB 3.35Å; S1748-F1752 PolarHBondContact O-N 3.28Å; E1749-F1752 PolarHBondContact O-N 3.24Å; L1750-F1752 VanDerWaalsContact C-N 3.33Å; L1750-F1752 PolarHBondContact O-N 3.02Å; F1752-G1756 CarbonylContact O-C 3.53Å; F1752-G1756 WeakPolarHBondContact O-CA 3.4Å; F1752-G1756 PolarHBondContact O-N 3.1Å; F1752-G1756 VanDerWaalsContact O-N 3.1Å; F1752-F1757 AromaticContact CD1-CD2 3.46Å; F1752-F1757 HydrophobicContact CD1-CD2 3.46Å; F1752-F1757 VanDerWaalsContact CD1-CD2 3.46Å; F1752-F1757 AromaticContact CD1-CE2 3.43Å; F1752-F1757 HydrophobicContact CD1-CE2 3.43Å; F1752-F1757 VanDerWaalsContact CD1-CE2 3.43Å; F1752-F1757 HydrophobicContact CD1-CG 4.21Å; F1752-F1757 HydrophobicContact CD1-CZ 4.15Å; F1752-F1757 HydrophobicContact CE1-CB 4.2Å; F1752-F1757 HydrophobicContact CE1-CD1 4Å; F1752-F1757 AromaticContact CE1-CD2 3.41Å; F1752-F1757 HydrophobicContact CE1-CD2 4.03Å; F1752-F1757 VanDerWaalsContact CE1-CD2 3.41Å; F1752-F1757 AromaticContact CE1-CE1 3.88Å; F1752-F1757 HydrophobicContact CE1-CE1 3.88Å; F1752-F1757 AromaticContact CE1-CE2 3.29Å; F1752-F1757 HydrophobicContact CE1-CE2 3.29Å; F1752-F1757 AromaticContact CE1-CG 3.79Å; F1752-F1757 HydrophobicContact CE1-CG 3.79Å; F1752-F1757 AromaticContact CE1-CZ 3.54Å; F1752-F1757 HydrophobicContact CE1-CZ 3.54Å; F1752-F1757 HydrophobicContact CZ-CB 4.46Å; F1752-F1757 HydrophobicContact CZ-CD2 4.4Å; F1752-F1757 WeakPolarHBondContact O-CB 3.5Å; F1752-F1757 PolarHBondContact O-N 3.27Å; F1752-I1760 HydrophobicContact CZ-CD1 4.42Å; F1752-Y1963 HydrophobicContact CB-CE2 4.45Å; F1752-Y1963 VanDerWaalsContact CB-OH 3.31Å; F1752-Y1963 WeakPolarHBondContact CB-OH 3.3Å; F1752-Y1963 HydrophobicContact CD2-CE2 4.49Å; F1752-Y1963 HydrophobicContact CG-CE2 4.44Å; F1752-Y1963 WeakPolarHBondContact CG-OH 3.27Å; F1752-L1970 HydrophobicContact CD2-CD1 4.28Å; F1752-L1970 HydrophobicContact CE2-CD1 3.89Å |
| 1753 | S | 74.7 | Confident | 77.8 | Confident | 24 Ų | 24 | 22.3 Ų | 22.3 | 17% | 0.168 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | 179.3 | -99.7 | 0 | 0 | 0 | 0 | 113.1 | E1749 L1750 | E1749-S1753 VanDerWaalsContact O-CB 3.28Å; E1749-S1753 WeakPolarHBondContact O-CB 3.33Å; E1749-S1753 PolarHBondContact O-N 3.06Å; E1749-S1753 PolarHBondContact O-OG 2.93Å; E1749-S1753 VanDerWaalsContact O-OG 3.14Å; L1750-S1753 PolarHBondContact O-N 3.33Å |
| 1754 | L | 76.9 | Confident | 76.8 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -77 | -39.6 | -178.4 | -73.3 | 176.5 | 0 | 0 | 0 | 113.3 | P1719 L1750 I1751 H1903 F1904 R1914 A1917 L1921 | P1719-L1754 HydrophobicContact CB-CD2 4.41Å; L1750-L1754 HydrophobicContact CD1-CD1 3.69Å; L1750-L1754 HydrophobicContact CD1-CG 3.94Å; L1750-L1754 HydrophobicContact CD2-CD1 4.47Å; L1750-L1754 HydrophobicContact CG-CD1 3.78Å; L1750-L1754 HydrophobicContact CG-CG 4.35Å; L1750-L1754 VanDerWaalsContact O-CB 3.31Å; L1750-L1754 WeakPolarHBondContact O-CB 3.32Å; L1750-L1754 VanDerWaalsContact O-CG 3.3Å; L1750-L1754 WeakPolarHBondContact O-CG 3.29Å; L1750-L1754 PolarHBondContact O-N 3.1Å; I1751-L1754 PolarHBondContact O-N 3.41Å; L1754-H1903 PolarHBondContact O-NE2 3.29Å; L1754-H1903 VanDerWaalsContact O-NE2 3.08Å; L1754-F1904 WeakPolarHBondContact O-CZ 3.24Å; L1754-R1914 HydrophobicContact CD2-CB 4.19Å; L1754-R1914 HydrophobicContact CD2-CG 4.33Å; L1754-A1917 HydrophobicContact CD1-CB 4.28Å; L1754-L1921 HydrophobicContact CD1-CD1 4.16Å |
| 1755 | I | 77.9 | Confident | 76 | Confident | 1.6 Ų | 1.6 | 29.7 Ų | 29.7 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | -50.1 | -168.8 | -52.9 | 163.9 | 0 | 0 | 0 | 111.2 | I1751 F1757 Y1758 R1759 W1900 A1918 A1971 F1972 | I1751-I1755 PolarHBondContact O-N 3.07Å; I1755-F1757 VanDerWaalsContact C-N 3.29Å; I1755-F1757 PolarHBondContact O-N 3.21Å; I1755-F1757 VanDerWaalsContact O-N 3.14Å; I1755-Y1758 PolarHBondContact O-N 2.98Å; I1755-Y1758 VanDerWaalsContact O-N 3.07Å; I1755-R1759 HydrophobicContact CG2-CG 4.22Å; I1755-R1759 PolarHBondContact O-N 3.31Å; I1755-W1900 HydrophobicContact CD1-CZ3 3.96Å; I1755-W1900 HydrophobicContact CG1-CZ3 4.44Å; I1755-A1918 HydrophobicContact CD1-CB 3.85Å; I1755-A1918 HydrophobicContact CG1-CB 4.2Å; I1755-A1971 HydrophobicContact CB-CB 3.87Å; I1755-A1971 HydrophobicContact CD1-CB 4.42Å; I1755-A1971 HydrophobicContact CG2-CB 3.81Å; I1755-F1972 HydrophobicContact CD1-CE1 3.77Å; I1755-F1972 HydrophobicContact CD1-CZ 4.42Å |
| 1756 | G | 72.7 | Confident | 75.1 | Confident | 0.6 Ų | 0.6 | 29.6 Ų | 29.6 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -56.9 | -37 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1751 F1752 Y1758 R1759 | I1751-G1756 PolarHBondContact O-N 3.3Å; I1751-G1756 VanDerWaalsContact O-N 3.07Å; F1752-G1756 CarbonylContact O-C 3.53Å; F1752-G1756 WeakPolarHBondContact O-CA 3.4Å; F1752-G1756 PolarHBondContact O-N 3.1Å; F1752-G1756 VanDerWaalsContact O-N 3.1Å; G1756-Y1758 VanDerWaalsContact C-N 3.32Å; G1756-Y1758 PolarHBondContact O-N 3.02Å; G1756-R1759 WeakPolarHBondContact O-CB 3.35Å; G1756-R1759 PolarHBondContact O-N 3Å; G1756-R1759 VanDerWaalsContact O-N 3.14Å |
| 1757 | F | 68.6 | Low | 74.3 | Confident | 56.4 Ų | 56.4 | 32.2 Ų | 32.2 | 25% | 0.247 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -60.9 | -38.1 | 177 | -163.3 | -90.9 | 0 | 0 | 0 | 113 | V1697 F1701 Y1711 H1713 P1714 F1752 I1755 R1759 I1760 | V1697-F1757 HydrophobicContact CG1-CD2 4.47Å; F1701-F1757 HydrophobicContact CE2-CD2 4.03Å; F1701-F1757 HydrophobicContact CE2-CE2 4.11Å; F1701-F1757 AromaticContact CZ-CD2 3.63Å; F1701-F1757 HydrophobicContact CZ-CD2 3.63Å; F1701-F1757 AromaticContact CZ-CE2 3.73Å; F1701-F1757 HydrophobicContact CZ-CE2 3.73Å; Y1711-F1757 AromaticContact CD1-CE2 3.86Å; Y1711-F1757 HydrophobicContact CD1-CE2 3.86Å; Y1711-F1757 HydrophobicContact CD1-CZ 4.08Å; Y1711-F1757 HydrophobicContact CE1-CE2 4.06Å; Y1711-F1757 HydrophobicContact CG-CZ 4.28Å; H1713-F1757 AromaticContact CE1-CE1 3.48Å; H1713-F1757 VanDerWaalsContact CE1-CE1 3.48Å; H1713-F1757 WeakPolarHBondContact CE1-CE1 3.39Å; H1713-F1757 AromaticContact CE1-CZ 3.85Å; P1714-F1757 HydrophobicContact CG-CD1 4.32Å; P1714-F1757 HydrophobicContact CG-CE1 4.03Å; P1714-F1757 HydrophobicContact CG-CZ 4.09Å; F1752-F1757 AromaticContact CD1-CD2 3.46Å; F1752-F1757 HydrophobicContact CD1-CD2 3.46Å; F1752-F1757 VanDerWaalsContact CD1-CD2 3.46Å; F1752-F1757 AromaticContact CD1-CE2 3.43Å; F1752-F1757 HydrophobicContact CD1-CE2 3.43Å; F1752-F1757 VanDerWaalsContact CD1-CE2 3.43Å; F1752-F1757 HydrophobicContact CD1-CG 4.21Å; F1752-F1757 HydrophobicContact CD1-CZ 4.15Å; F1752-F1757 HydrophobicContact CE1-CB 4.2Å; F1752-F1757 HydrophobicContact CE1-CD1 4Å; F1752-F1757 AromaticContact CE1-CD2 3.41Å; F1752-F1757 HydrophobicContact CE1-CD2 4.03Å; F1752-F1757 VanDerWaalsContact CE1-CD2 3.41Å; F1752-F1757 AromaticContact CE1-CE1 3.88Å; F1752-F1757 HydrophobicContact CE1-CE1 3.88Å; F1752-F1757 AromaticContact CE1-CE2 3.29Å; F1752-F1757 HydrophobicContact CE1-CE2 3.29Å; F1752-F1757 AromaticContact CE1-CG 3.79Å; F1752-F1757 HydrophobicContact CE1-CG 3.79Å; F1752-F1757 AromaticContact CE1-CZ 3.54Å; F1752-F1757 HydrophobicContact CE1-CZ 3.54Å; F1752-F1757 HydrophobicContact CZ-CB 4.46Å; F1752-F1757 HydrophobicContact CZ-CD2 4.4Å; F1752-F1757 WeakPolarHBondContact O-CB 3.5Å; F1752-F1757 PolarHBondContact O-N 3.27Å; I1755-F1757 VanDerWaalsContact C-N 3.29Å; I1755-F1757 PolarHBondContact O-N 3.21Å; I1755-F1757 VanDerWaalsContact O-N 3.14Å; F1757-R1759 VanDerWaalsContact C-N 3.33Å; F1757-R1759 PolarHBondContact O-N 3.04Å; F1757-R1759 VanDerWaalsContact O-N 3.16Å; F1757-I1760 PolarHBondContact O-N 2.78Å |
| 1758 | Y | 70.9 | Confident | 72.9 | Confident | 63.2 Ų | 63.2 | 32.6 Ų | 32.6 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -80.9 | 2.4 | -179.4 | -57.2 | -80.5 | 0 | 0 | 0 | 113.3 | H1713 P1714 I1716 I1755 G1756 H1903 | H1713-Y1758 AromaticContact ND1-CE1 3.79Å; P1714-Y1758 PolarHBondContact O-OH 2.85Å; I1716-Y1758 WeakPolarHBondContact CD1-OH 3.46Å; I1716-Y1758 WeakPolarHBondContact CG1-OH 3.34Å; I1755-Y1758 PolarHBondContact O-N 2.98Å; I1755-Y1758 VanDerWaalsContact O-N 3.07Å; G1756-Y1758 VanDerWaalsContact C-N 3.32Å; G1756-Y1758 PolarHBondContact O-N 3.02Å; Y1758-H1903 HydrophobicContact CD1-CB 4.02Å; Y1758-H1903 AromaticContact CD2-CD2 3.34Å; Y1758-H1903 VanDerWaalsContact CD2-CD2 3.48Å; Y1758-H1903 WeakPolarHBondContact CD2-CD2 3.22Å; Y1758-H1903 AromaticContact CD2-CG 3.93Å; Y1758-H1903 AromaticContact CD2-NE2 3.63Å; Y1758-H1903 WeakPolarHBondContact CD2-NE2 3.3Å; Y1758-H1903 HydrophobicContact CE1-CB 4.44Å; Y1758-H1903 AromaticContact CE2-CD2 3.67Å; Y1758-H1903 AromaticContact CE2-NE2 3.9Å; Y1758-H1903 HydrophobicContact CG-CB 4.1Å; Y1758-H1903 AromaticContact CG-CD2 3.57Å; Y1758-H1903 VanDerWaalsContact CG-CD2 3.48Å; Y1758-H1903 AromaticContact CG-CG 3.83Å |
| 1759 | R | 72.9 | Confident | 71.7 | Confident | 6.8 Ų | 6.8 | 35.9 Ų | 35.9 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -106.8 | 11.9 | 179.5 | -62.9 | -60.4 | -171.1 | -114.8 | -7.5 | 113.4 | I1755 G1756 F1757 P1761 L1853 P1854 W1900 L1970 | I1755-R1759 HydrophobicContact CG2-CG 4.22Å; I1755-R1759 PolarHBondContact O-N 3.31Å; G1756-R1759 WeakPolarHBondContact O-CB 3.35Å; G1756-R1759 PolarHBondContact O-N 3Å; G1756-R1759 VanDerWaalsContact O-N 3.14Å; F1757-R1759 VanDerWaalsContact C-N 3.33Å; F1757-R1759 PolarHBondContact O-N 3.04Å; F1757-R1759 VanDerWaalsContact O-N 3.16Å; R1759-P1761 WeakPolarHBondContact O-CD 3.1Å; R1759-L1853 WeakPolarHBondContact O-CD1 3.36Å; R1759-P1854 PolarHBondContact NE-O 3.13Å; R1759-P1854 VanDerWaalsContact NE-O 3.12Å; R1759-P1854 PolarHBondContact NH2-O 3.16Å; R1759-P1854 VanDerWaalsContact NH2-O 3.09Å; R1759-W1900 PolarHBondContact NH2-O 3.28Å; R1759-L1970 WeakPolarHBondContact CB-O 3.37Å; R1759-L1970 VanDerWaalsContact CG-O 3.28Å; R1759-L1970 WeakPolarHBondContact CG-O 3.23Å |
| 1760 | I | 71.4 | Confident | 70.8 | Confident | 57.4 Ų | 57.4 | 39.9 Ų | 39.9 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -89.9 | 117.7 | 170.2 | -59.5 | 174.9 | 0 | 0 | 0 | 107.2 | F1701 F1752 F1757 Y1847 | F1701-I1760 HydrophobicContact CD1-CD1 4.2Å; F1701-I1760 HydrophobicContact CE1-CD1 3.17Å; F1701-I1760 HydrophobicContact CZ-CD1 3.5Å; F1701-I1760 VanDerWaalsContact CZ-CD1 3.5Å; F1752-I1760 HydrophobicContact CZ-CD1 4.42Å; F1757-I1760 PolarHBondContact O-N 2.78Å; I1760-Y1847 HydrophobicContact CG2-CD1 4.27Å; I1760-Y1847 HydrophobicContact CG2-CE1 3.45Å; I1760-Y1847 VanDerWaalsContact CG2-CE1 3.45Å |
| 1761 | P | 67.8 | Low | 69.7 | Low | 16.2 Ų | 16.2 | 41.7 Ų | 41.7 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -62 | 153.9 | 179.7 | 16.1 | -20.8 | 0 | 0 | 0 | 111.2 | R1759 R1763 Y1847 V1851 L1853 L2024 | R1759-P1761 WeakPolarHBondContact O-CD 3.1Å; P1761-R1763 PolarHBondContact O-N 2.75Å; P1761-Y1847 HydrophobicContact CB-CD1 4.24Å; P1761-Y1847 HydrophobicContact CG-CD1 3.83Å; P1761-Y1847 HydrophobicContact CG-CG 4.08Å; P1761-Y1847 VanDerWaalsContact O-CD1 3.26Å; P1761-Y1847 WeakPolarHBondContact O-CD1 3.29Å; P1761-Y1847 WeakPolarHBondContact O-CE1 3.43Å; P1761-V1851 HydrophobicContact CB-CB 4.23Å; P1761-V1851 HydrophobicContact CB-CG1 4.2Å; P1761-V1851 HydrophobicContact CB-CG2 4.47Å; P1761-L1853 HydrophobicContact CG-CD1 4.22Å; P1761-L2024 HydrophobicContact CG-CD2 4.13Å |
| 1762 | S | 66.7 | Low | 68.2 | Low | 78 Ų | 78 | 43.1 Ų | 43.1 | 55% | 0.545 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 145.5 | 171.9 | 53.2 | 0 | 0 | 0 | 0 | 110.4 | D1848 | S1762-D1848 PolarHBondContact O-N 3.19Å; S1762-D1848 VanDerWaalsContact O-N 3.11Å |
| 1763 | R | 67.2 | Low | 67.1 | Low | 85 Ų | 85 | 46.9 Ų | 46.9 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130.5 | 174.9 | -65.3 | -174.6 | -179.9 | -172.4 | 0.2 | 110 | P1703 L1707 P1761 I1846 Y1847 | P1703-R1763 VanDerWaalsContact CB-NH1 3.35Å; L1707-R1763 WeakPolarHBondContact CD2-O 3.42Å; P1761-R1763 PolarHBondContact O-N 2.75Å; R1763-I1846 CarbonylContact C-O 3.51Å; R1763-I1846 WeakPolarHBondContact CA-O 3.34Å; R1763-I1846 WeakPolarHBondContact CB-O 3.3Å; R1763-Y1847 HydrophobicContact CG-CD1 3.84Å; R1763-Y1847 HydrophobicContact CG-CE1 3.86Å; R1763-Y1847 HydrophobicContact CG-CG 4.38Å; R1763-Y1847 PolarHBondContact NE-OH 3.01Å; R1763-Y1847 PolarHBondContact NH2-OH 3.02Å; R1763-Y1847 VanDerWaalsContact NH2-OH 3.14Å |
| 1764 | K | 67.5 | Low | 66.1 | Low | 99.8 Ų | 99.8 | 50.1 Ų | 50.1 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136.5 | 170.8 | -133.9 | 178.4 | 177.4 | 175.3 | 0 | 110 | I1766 Y1845 I1846 D1848 | K1764-I1766 HydrophobicContact CG-CG1 4.38Å; K1764-Y1845 WeakPolarHBondContact O-CA 3.26Å; K1764-I1846 HydrophobicContact CG-CG1 3.91Å; K1764-I1846 PolarHBondContact N-O 3.35Å; K1764-I1846 PolarHBondContact O-N 2.98Å; K1764-I1846 VanDerWaalsContact O-N 3.11Å; K1764-D1848 HydrophobicContact CB-CB 4.49Å; K1764-D1848 HydrophobicContact CD-CB 4.04Å; K1764-D1848 WeakPolarHBondContact CE-OD1 3.5Å; K1764-D1848 WeakPolarHBondContact CE-OD2 3.24Å; K1764-D1848 HydrophobicContact CG-CB 4.26Å; K1764-D1848 IonicContact NZ-OD1 3.84Å; K1764-D1848 PolarHBondContact NZ-OD1 3.11Å; K1764-D1848 IonicContact NZ-OD2 3.5Å; K1764-D1848 PolarHBondContact NZ-OD2 3.14Å |
| 1765 | C | 69 | Low | 65 | Low | 56.8 Ų | 56.8 | 54.1 Ų | 54.1 | 38% | 0.384 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.5 | 170.6 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | H1843 L1844 Y1845 | C1765-H1843 VanDerWaalsContact SG-CD2 3.57Å; C1765-L1844 CarbonylContact C-O 3.52Å; C1765-L1844 VanDerWaalsContact CA-O 3.27Å; C1765-L1844 WeakPolarHBondContact CA-O 3.32Å; C1765-Y1845 HydrophobicContact CB-CD1 3.97Å; C1765-Y1845 HydrophobicContact CB-CE1 3.64Å |
| 1766 | I | 66.8 | Low | 63.6 | Low | 33.2 Ų | 33.2 | 59.2 Ų | 59.2 | 17% | 0.17 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.5 | 175.1 | -62.4 | -170.1 | 0 | 0 | 0 | 107.6 | K1764 P1768 I1771 L1844 I1846 | K1764-I1766 HydrophobicContact CG-CG1 4.38Å; I1766-P1768 VanDerWaalsContact O-CD 3.28Å; I1766-P1768 WeakPolarHBondContact O-CD 3.3Å; I1766-I1771 HydrophobicContact CG2-CD1 3.17Å; I1766-I1771 HydrophobicContact CG2-CG1 4.12Å; I1766-L1844 HydrophobicContact CB-CB 4.45Å; I1766-L1844 PolarHBondContact N-O 2.85Å; I1766-L1844 PolarHBondContact O-N 3.2Å; I1766-I1846 HydrophobicContact CD1-CD1 3.28Å; I1766-I1846 HydrophobicContact CD1-CG1 3.49Å; I1766-I1846 VanDerWaalsContact CD1-CG1 3.47Å; I1766-I1846 HydrophobicContact CG1-CD1 4.44Å; I1766-I1846 HydrophobicContact CG1-CG1 4.17Å |
| 1767 | N | 67.1 | Low | 62.3 | Low | 54.4 Ų | 54.4 | 65.2 Ų | 65.2 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | trans | -95.3 | 106.4 | 172.9 | -134.7 | -15.3 | 0 | 0 | 0 | 109.1 | I1769 Q1770 I1771 T1842 H1843 | N1767-I1769 PolarHBondContact O-N 3.22Å; N1767-I1769 VanDerWaalsContact O-N 3.13Å; N1767-I1769 WeakPolarHBondContact OD1-CB 3.31Å; N1767-I1769 PolarHBondContact OD1-N 3.2Å; N1767-I1769 VanDerWaalsContact OD1-N 3.09Å; N1767-Q1770 HydrophobicContact CB-CB 4.04Å; N1767-Q1770 PolarHBondContact ND2-OE1 2.78Å; N1767-Q1770 WeakPolarHBondContact O-CB 3.32Å; N1767-Q1770 PolarHBondContact O-N 3.24Å; N1767-Q1770 VanDerWaalsContact O-N 3.17Å; N1767-Q1770 PolarHBondContact OD1-N 2.9Å; N1767-I1771 PolarHBondContact O-N 3.05Å; N1767-I1771 VanDerWaalsContact O-N 3.14Å; N1767-T1842 PolarHBondContact OD1-O 3.17Å; N1767-H1843 PolarHBondContact OD1-CD2 3.22Å | ||
| 1768 | P | 60.1 | Low | 61.3 | Low | 8.6 Ų | 8.6 | 67.2 Ų | 67.2 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.6 | -34.4 | -179.7 | -15.5 | 22.9 | 0 | 0 | 0 | 112.3 | I1766 Q1770 I1771 C1772 Y1840 P1841 L1844 | I1766-P1768 VanDerWaalsContact O-CD 3.28Å; I1766-P1768 WeakPolarHBondContact O-CD 3.3Å; P1768-Q1770 VanDerWaalsContact C-N 3.31Å; P1768-Q1770 PolarHBondContact O-N 3.3Å; P1768-I1771 WeakPolarHBondContact O-CB 3.25Å; P1768-I1771 PolarHBondContact O-N 3.11Å; P1768-I1771 VanDerWaalsContact O-N 3.16Å; P1768-C1772 WeakPolarHBondContact O-CB 3.37Å; P1768-C1772 PolarHBondContact O-N 3.24Å; P1768-C1772 VanDerWaalsContact O-N 3.08Å; P1768-C1772 PolarHBondContact O-SG 3.23Å; P1768-C1772 VanDerWaalsContact O-SG 3.34Å; P1768-Y1840 HydrophobicContact CB-CD1 3.92Å; P1768-Y1840 HydrophobicContact CB-CD2 4.31Å; P1768-Y1840 HydrophobicContact CB-CE1 4.24Å; P1768-Y1840 HydrophobicContact CB-CG 3.96Å; P1768-Y1840 HydrophobicContact CG-CD1 4.08Å; P1768-Y1840 HydrophobicContact CG-CE1 4.42Å; P1768-Y1840 HydrophobicContact CG-CG 4.1Å; P1768-P1841 WeakPolarHBondContact CD-O 3.14Å; P1768-P1841 WeakPolarHBondContact CG-O 3.44Å; P1768-L1844 HydrophobicContact CB-CD1 4.05Å; P1768-L1844 HydrophobicContact CG-CB 3.89Å; P1768-L1844 HydrophobicContact CG-CD1 3.69Å; P1768-L1844 HydrophobicContact CG-CD2 4.5Å; P1768-L1844 HydrophobicContact CG-CG 3.96Å |
| 1769 | I | 59 | Low | 59.9 | Low | 69.6 Ų | 69.6 | 69 Ų | 69 | 36% | 0.357 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 177.9 | -62.9 | 170.6 | 0 | 0 | 0 | 110.9 | N1767 C1772 Q1773 I1798 T1842 | N1767-I1769 PolarHBondContact O-N 3.22Å; N1767-I1769 VanDerWaalsContact O-N 3.13Å; N1767-I1769 WeakPolarHBondContact OD1-CB 3.31Å; N1767-I1769 PolarHBondContact OD1-N 3.2Å; N1767-I1769 VanDerWaalsContact OD1-N 3.09Å; I1769-C1772 WeakPolarHBondContact O-CB 3.36Å; I1769-C1772 PolarHBondContact O-N 3.03Å; I1769-Q1773 HydrophobicContact CG2-CG 4.43Å; I1769-Q1773 WeakPolarHBondContact O-CB 3.34Å; I1769-Q1773 VanDerWaalsContact O-CG 3.26Å; I1769-Q1773 WeakPolarHBondContact O-CG 3.33Å; I1769-Q1773 PolarHBondContact O-N 3.06Å; I1769-I1798 HydrophobicContact CG1-CD1 4.43Å; I1769-I1798 HydrophobicContact CG2-CD1 3.74Å; I1769-T1842 HydrophobicContact CD1-CG2 4.44Å |
| 1770 | Q | 61.8 | Low | 58.3 | Low | 103 Ų | 103 | 73.8 Ų | 73.8 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 179.9 | -159.4 | 154 | 8.3 | 0 | 0 | 111.4 | N1767 P1768 C1772 Q1773 D1774 | N1767-Q1770 HydrophobicContact CB-CB 4.04Å; N1767-Q1770 PolarHBondContact ND2-OE1 2.78Å; N1767-Q1770 WeakPolarHBondContact O-CB 3.32Å; N1767-Q1770 PolarHBondContact O-N 3.24Å; N1767-Q1770 VanDerWaalsContact O-N 3.17Å; N1767-Q1770 PolarHBondContact OD1-N 2.9Å; P1768-Q1770 VanDerWaalsContact C-N 3.31Å; P1768-Q1770 PolarHBondContact O-N 3.3Å; Q1770-C1772 VanDerWaalsContact C-N 3.31Å; Q1770-C1772 PolarHBondContact O-N 2.99Å; Q1770-Q1773 PolarHBondContact O-N 2.92Å; Q1770-Q1773 VanDerWaalsContact O-N 3.16Å; Q1770-D1774 PolarHBondContact NE2-OD1 3.17Å; Q1770-D1774 WeakPolarHBondContact O-CB 3.37Å; Q1770-D1774 VanDerWaalsContact O-CG 3.26Å; Q1770-D1774 PolarHBondContact O-N 3.2Å |
| 1771 | I | 60 | Low | 56.9 | Low | 38.8 Ų | 38.8 | 78.2 Ų | 78.2 | 20% | 0.199 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 173.3 | -69 | 175.3 | 0 | 0 | 0 | 111.3 | I1766 N1767 P1768 Q1773 D1774 K1775 W1808 H1828 V1830 | I1766-I1771 HydrophobicContact CG2-CD1 3.17Å; I1766-I1771 HydrophobicContact CG2-CG1 4.12Å; N1767-I1771 PolarHBondContact O-N 3.05Å; N1767-I1771 VanDerWaalsContact O-N 3.14Å; P1768-I1771 WeakPolarHBondContact O-CB 3.25Å; P1768-I1771 PolarHBondContact O-N 3.11Å; P1768-I1771 VanDerWaalsContact O-N 3.16Å; I1771-Q1773 VanDerWaalsContact C-N 3.35Å; I1771-D1774 PolarHBondContact O-N 2.91Å; I1771-K1775 HydrophobicContact CG2-CD 4.27Å; I1771-K1775 HydrophobicContact CG2-CG 4.44Å; I1771-K1775 WeakPolarHBondContact O-CB 3.37Å; I1771-K1775 WeakPolarHBondContact O-CG 3.36Å; I1771-K1775 PolarHBondContact O-N 3.34Å; I1771-K1775 VanDerWaalsContact O-N 3.11Å; I1771-W1808 HydrophobicContact CG2-CH2 3.75Å; I1771-W1808 HydrophobicContact CG2-CZ2 3.73Å; I1771-W1808 HydrophobicContact CG2-CZ3 4.18Å; I1771-H1828 HydrophobicContact CD1-CB 4.16Å; I1771-H1828 HydrophobicContact CG2-CB 4.29Å; I1771-H1828 WeakPolarHBondContact CG2-CE1 3.15Å; I1771-H1828 VanDerWaalsContact CG2-NE2 3.25Å; I1771-H1828 WeakPolarHBondContact CG2-NE2 3.43Å; I1771-V1830 HydrophobicContact CD1-CG2 4.36Å |
| 1772 | C | 53.8 | Low | 55.5 | Low | 29.4 Ų | 29.4 | 82.7 Ų | 82.7 | 20% | 0.199 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 177.8 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | P1768 I1769 Q1770 K1775 M1776 I1798 D1805 Y1840 | P1768-C1772 WeakPolarHBondContact O-CB 3.37Å; P1768-C1772 PolarHBondContact O-N 3.24Å; P1768-C1772 VanDerWaalsContact O-N 3.08Å; P1768-C1772 PolarHBondContact O-SG 3.23Å; P1768-C1772 VanDerWaalsContact O-SG 3.34Å; I1769-C1772 WeakPolarHBondContact O-CB 3.36Å; I1769-C1772 PolarHBondContact O-N 3.03Å; Q1770-C1772 VanDerWaalsContact C-N 3.31Å; Q1770-C1772 PolarHBondContact O-N 2.99Å; C1772-K1775 PolarHBondContact O-N 3.24Å; C1772-M1776 VanDerWaalsContact O-CB 3.27Å; C1772-M1776 WeakPolarHBondContact O-CB 3.41Å; C1772-M1776 VanDerWaalsContact O-CG 3.3Å; C1772-M1776 WeakPolarHBondContact O-CG 3.35Å; C1772-M1776 PolarHBondContact O-N 3.17Å; C1772-I1798 HydrophobicContact CB-CD1 4.22Å; C1772-D1805 HydrophobicContact CB-CB 3.75Å; C1772-D1805 WeakPolarHBondContact SG-CB 3.49Å; C1772-D1805 PolarHBondContact SG-OD2 3.21Å; C1772-Y1840 WeakPolarHBondContact SG-CE2 3.27Å |
| 1773 | Q | 55.1 | Low | 54.2 | Low | 98 Ų | 98 | 85.1 Ų | 85.1 | 46% | 0.458 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.6 | -49.9 | 177.2 | -74 | 173.8 | -11.1 | 0 | 0 | 111.5 | I1769 Q1770 I1771 K1775 M1776 I1777 | I1769-Q1773 HydrophobicContact CG2-CG 4.43Å; I1769-Q1773 WeakPolarHBondContact O-CB 3.34Å; I1769-Q1773 VanDerWaalsContact O-CG 3.26Å; I1769-Q1773 WeakPolarHBondContact O-CG 3.33Å; I1769-Q1773 PolarHBondContact O-N 3.06Å; Q1770-Q1773 PolarHBondContact O-N 2.92Å; Q1770-Q1773 VanDerWaalsContact O-N 3.16Å; I1771-Q1773 VanDerWaalsContact C-N 3.35Å; Q1773-K1775 VanDerWaalsContact C-N 3.31Å; Q1773-K1775 PolarHBondContact O-N 3.1Å; Q1773-M1776 PolarHBondContact O-N 3.23Å; Q1773-M1776 VanDerWaalsContact O-N 3.15Å; Q1773-I1777 HydrophobicContact CB-CD1 4.41Å; Q1773-I1777 WeakPolarHBondContact O-CB 3.37Å; Q1773-I1777 WeakPolarHBondContact O-CD1 3.35Å; Q1773-I1777 VanDerWaalsContact O-CG1 3.24Å; Q1773-I1777 WeakPolarHBondContact O-CG1 3.3Å; Q1773-I1777 PolarHBondContact O-N 3.07Å; Q1773-I1777 VanDerWaalsContact O-N 3.1Å |
| 1774 | D | 55.5 | Low | 52.8 | Low | 89.8 Ų | 89.8 | 85.6 Ų | 85.6 | 48% | 0.48 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | -179.6 | -68.9 | -17.2 | 0 | 0 | 0 | 111.4 | Q1770 I1771 I1777 T1778 | Q1770-D1774 PolarHBondContact NE2-OD1 3.17Å; Q1770-D1774 WeakPolarHBondContact O-CB 3.37Å; Q1770-D1774 VanDerWaalsContact O-CG 3.26Å; Q1770-D1774 PolarHBondContact O-N 3.2Å; I1771-D1774 PolarHBondContact O-N 2.91Å; D1774-I1777 PolarHBondContact O-N 3.46Å; D1774-T1778 VanDerWaalsContact O-CG2 3.31Å; D1774-T1778 WeakPolarHBondContact O-CG2 3.42Å; D1774-T1778 PolarHBondContact O-N 3.07Å; D1774-T1778 VanDerWaalsContact O-N 3.13Å; D1774-T1778 PolarHBondContact O-OG1 3.24Å |
| 1775 | K | 53.8 | Low | 51.5 | Low | 89.2 Ų | 89.2 | 85.1 Ų | 85.1 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -75.6 | -31.4 | 178 | -74.4 | -155.1 | 175 | -176.3 | 0 | 114.1 | I1771 C1772 Q1773 I1777 T1778 N1779 D1805 W1808 H1828 | I1771-K1775 HydrophobicContact CG2-CD 4.27Å; I1771-K1775 HydrophobicContact CG2-CG 4.44Å; I1771-K1775 WeakPolarHBondContact O-CB 3.37Å; I1771-K1775 WeakPolarHBondContact O-CG 3.36Å; I1771-K1775 PolarHBondContact O-N 3.34Å; I1771-K1775 VanDerWaalsContact O-N 3.11Å; C1772-K1775 PolarHBondContact O-N 3.24Å; Q1773-K1775 VanDerWaalsContact C-N 3.31Å; Q1773-K1775 PolarHBondContact O-N 3.1Å; K1775-I1777 VanDerWaalsContact C-N 3.31Å; K1775-I1777 PolarHBondContact O-N 3.2Å; K1775-T1778 WeakPolarHBondContact CA-OG1 3.27Å; K1775-T1778 PolarHBondContact O-N 3.14Å; K1775-T1778 PolarHBondContact O-OG1 3.02Å; K1775-T1778 VanDerWaalsContact O-OG1 3.11Å; K1775-N1779 PolarHBondContact O-N 3.08Å; K1775-D1805 HydrophobicContact CD-CB 3.62Å; K1775-D1805 IonicContact NZ-OD2 3.66Å; K1775-D1805 PolarHBondContact NZ-OD2 2.91Å; K1775-W1808 HydrophobicContact CB-CD2 4.23Å; K1775-W1808 HydrophobicContact CB-CG 4.19Å; K1775-W1808 HydrophobicContact CD-CB 4.26Å; K1775-W1808 HydrophobicContact CD-CD2 4.32Å; K1775-W1808 HydrophobicContact CD-CG 4.15Å; K1775-W1808 HydrophobicContact CG-CB 4.29Å; K1775-W1808 HydrophobicContact CG-CD2 4.43Å; K1775-W1808 HydrophobicContact CG-CG 3.97Å; K1775-H1828 WeakPolarHBondContact CD-NE2 3.49Å; K1775-H1828 WeakPolarHBondContact CE-NE2 3.42Å; K1775-H1828 PolarHBondContact NZ-CD2 2.99Å; K1775-H1828 PolarHBondContact NZ-NE2 3.29Å |
| 1776 | M | 47.3 | Very low | 49.9 | Very low | 109.6 Ų | 109.6 | 87.1 Ų | 87.1 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69 | -37.5 | 173.5 | -86.2 | -164.5 | 161.5 | 0 | 0 | 111.9 | C1772 Q1773 T1778 N1779 P1804 D1805 | C1772-M1776 VanDerWaalsContact O-CB 3.27Å; C1772-M1776 WeakPolarHBondContact O-CB 3.41Å; C1772-M1776 VanDerWaalsContact O-CG 3.3Å; C1772-M1776 WeakPolarHBondContact O-CG 3.35Å; C1772-M1776 PolarHBondContact O-N 3.17Å; Q1773-M1776 PolarHBondContact O-N 3.23Å; Q1773-M1776 VanDerWaalsContact O-N 3.15Å; M1776-T1778 PolarHBondContact O-N 2.91Å; M1776-N1779 PolarHBondContact O-N 3.01Å; M1776-N1779 VanDerWaalsContact O-O 3.13Å; M1776-P1804 HydrophobicContact CE-CB 3.37Å; M1776-P1804 HydrophobicContact CE-CG 3.69Å; M1776-D1805 HydrophobicContact CE-CB 3.52Å; M1776-D1805 HydrophobicContact CG-CB 3.58Å; M1776-D1805 HydrophobicContact SD-CB 3.94Å |
| 1777 | I | 46.4 | Very low | 48.5 | Very low | 125 Ų | 125 | 90 Ų | 90 | 64% | 0.641 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.1 | -30.9 | -178.3 | -64.8 | 163.5 | 0 | 0 | 0 | 111.5 | Q1773 D1774 K1775 N1779 T1780 | Q1773-I1777 HydrophobicContact CB-CD1 4.41Å; Q1773-I1777 WeakPolarHBondContact O-CB 3.37Å; Q1773-I1777 WeakPolarHBondContact O-CD1 3.35Å; Q1773-I1777 VanDerWaalsContact O-CG1 3.24Å; Q1773-I1777 WeakPolarHBondContact O-CG1 3.3Å; Q1773-I1777 PolarHBondContact O-N 3.07Å; Q1773-I1777 VanDerWaalsContact O-N 3.1Å; D1774-I1777 PolarHBondContact O-N 3.46Å; K1775-I1777 VanDerWaalsContact C-N 3.31Å; K1775-I1777 PolarHBondContact O-N 3.2Å; I1777-N1779 VanDerWaalsContact C-N 3.3Å; I1777-N1779 PolarHBondContact O-N 3.21Å; I1777-T1780 WeakPolarHBondContact O-CG2 3.47Å; I1777-T1780 PolarHBondContact O-OG1 2.95Å |
| 1778 | T | 46.7 | Very low | 46.9 | Very low | 100.4 Ų | 100.4 | 93.5 Ų | 93.5 | 62% | 0.616 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -76.8 | -19 | -177.4 | 47.3 | 0 | 0 | 0 | 0 | 115.2 | D1774 K1775 M1776 T1780 | D1774-T1778 VanDerWaalsContact O-CG2 3.31Å; D1774-T1778 WeakPolarHBondContact O-CG2 3.42Å; D1774-T1778 PolarHBondContact O-N 3.07Å; D1774-T1778 VanDerWaalsContact O-N 3.13Å; D1774-T1778 PolarHBondContact O-OG1 3.24Å; K1775-T1778 WeakPolarHBondContact CA-OG1 3.27Å; K1775-T1778 PolarHBondContact O-N 3.14Å; K1775-T1778 PolarHBondContact O-OG1 3.02Å; K1775-T1778 VanDerWaalsContact O-OG1 3.11Å; M1776-T1778 PolarHBondContact O-N 2.91Å; T1778-T1780 PolarHBondContact O-N 3.41Å |
| 1779 | N | 41.8 | Very low | 45.6 | Very low | 100.6 Ų | 100.6 | 100 Ų | 100 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 56.6 | -176.9 | -81 | -6.3 | 0 | 0 | 0 | 112.8 | K1775 M1776 I1777 I1781 D1782 W1808 | K1775-N1779 PolarHBondContact O-N 3.08Å; M1776-N1779 PolarHBondContact O-N 3.01Å; M1776-N1779 VanDerWaalsContact O-O 3.13Å; I1777-N1779 VanDerWaalsContact C-N 3.3Å; I1777-N1779 PolarHBondContact O-N 3.21Å; N1779-I1781 HydrophobicContact CB-CB 4.45Å; N1779-I1781 HydrophobicContact CB-CD1 4.08Å; N1779-I1781 HydrophobicContact CB-CG1 4.06Å; N1779-I1781 PolarHBondContact O-N 3.03Å; N1779-I1781 VanDerWaalsContact O-N 3.12Å; N1779-D1782 PolarHBondContact O-N 3.31Å; N1779-W1808 HydrophobicContact CB-CH2 3.31Å; N1779-W1808 HydrophobicContact CB-CZ2 3.87Å; N1779-W1808 HydrophobicContact CB-CZ3 4.14Å; N1779-W1808 WeakPolarHBondContact ND2-CH2 3.25Å; N1779-W1808 WeakPolarHBondContact ND2-CZ3 3.45Å |
| 1780 | T | 40.2 | Very low | 44.3 | Very low | 106.6 Ų | 106.6 | 105.2 Ų | 105.2 | 65% | 0.654 | 56% | 0.555 | S | S | * | * | trans | -66.5 | 38 | 172.2 | 50.7 | 0 | 0 | 0 | 0 | 114.7 | I1777 T1778 D1782 L1783 | I1777-T1780 WeakPolarHBondContact O-CG2 3.47Å; I1777-T1780 PolarHBondContact O-OG1 2.95Å; T1778-T1780 PolarHBondContact O-N 3.41Å; T1780-D1782 PolarHBondContact O-N 3.19Å; T1780-L1783 HydrophobicContact CG2-CD1 3.53Å; T1780-L1783 HydrophobicContact CG2-CG 4.35Å | ||
| 1781 | I | 41.4 | Very low | 42.9 | Very low | 150.8 Ų | 150.8 | 108.2 Ų | 108.2 | 77% | 0.773 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -85.1 | 30.7 | 169.8 | -62.5 | 173.3 | 0 | 0 | 0 | 109.6 | N1779 L1783 W1808 | N1779-I1781 HydrophobicContact CB-CB 4.45Å; N1779-I1781 HydrophobicContact CB-CD1 4.08Å; N1779-I1781 HydrophobicContact CB-CG1 4.06Å; N1779-I1781 PolarHBondContact O-N 3.03Å; N1779-I1781 VanDerWaalsContact O-N 3.12Å; I1781-L1783 PolarHBondContact O-N 3.26Å; I1781-L1783 VanDerWaalsContact O-N 3.15Å; I1781-W1808 HydrophobicContact CD1-CH2 4.39Å; I1781-W1808 HydrophobicContact CD1-CZ3 4.49Å |
| 1782 | D | 38.8 | Very low | 41.8 | Very low | 110.6 Ų | 110.6 | 111.3 Ų | 111.3 | 59% | 0.591 | 59% | 0.591 | S | S | * | * | trans | -109.9 | 60.7 | 177.8 | -85.9 | -26.5 | 0 | 0 | 0 | 114.6 | N1779 T1780 S1784 I1785 | N1779-D1782 PolarHBondContact O-N 3.31Å; T1780-D1782 PolarHBondContact O-N 3.19Å; D1782-S1784 VanDerWaalsContact C-N 3.27Å; D1782-S1784 PolarHBondContact O-N 3.06Å; D1782-S1784 VanDerWaalsContact O-N 3.12Å; D1782-S1784 PolarHBondContact OD1-OG 3.11Å; D1782-I1785 PolarHBondContact O-N 3.11Å | ||
| 1783 | L | 39.2 | Very low | 40.9 | Very low | 128.6 Ų | 128.6 | 116.2 Ų | 116.2 | 67% | 0.673 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -67.6 | 3.4 | 168.9 | -91.4 | 154.6 | 0 | 0 | 0 | 113.8 | T1780 I1781 I1785 L1786 | T1780-L1783 HydrophobicContact CG2-CD1 3.53Å; T1780-L1783 HydrophobicContact CG2-CG 4.35Å; I1781-L1783 PolarHBondContact O-N 3.26Å; I1781-L1783 VanDerWaalsContact O-N 3.15Å; L1783-I1785 PolarHBondContact O-N 3.2Å; L1783-I1785 VanDerWaalsContact O-N 3.15Å; L1783-L1786 HydrophobicContact CD2-CB 4.4Å; L1783-L1786 HydrophobicContact CD2-CD1 3.94Å; L1783-L1786 PolarHBondContact O-N 3.41Å |
| 1784 | S | 38.5 | Very low | 39.9 | Very low | 93.8 Ų | 93.8 | 118.6 Ų | 118.6 | 66% | 0.656 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -73.3 | -9.7 | 177.7 | 63 | 0 | 0 | 0 | 0 | 114.4 | D1782 L1786 K2332 | D1782-S1784 VanDerWaalsContact C-N 3.27Å; D1782-S1784 PolarHBondContact O-N 3.06Å; D1782-S1784 VanDerWaalsContact O-N 3.12Å; D1782-S1784 PolarHBondContact OD1-OG 3.11Å; S1784-L1786 VanDerWaalsContact C-N 3.32Å; S1784-K2332 PolarHBondContact OG-NZ 3.41Å |
| 1785 | I | 39.8 | Very low | 38.9 | Very low | 90.6 Ų | 90.6 | 121.3 Ų | 121.3 | 47% | 0.465 | 65% | 0.645 | S | S | . | * | G | 310 helix | trans | -92.6 | -10.9 | -177.6 | -57.5 | 176 | 0 | 0 | 0 | 112.8 | D1782 L1783 P1787 L1807 W1808 F2326 N2329 V2330 | D1782-I1785 PolarHBondContact O-N 3.11Å; L1783-I1785 PolarHBondContact O-N 3.2Å; L1783-I1785 VanDerWaalsContact O-N 3.15Å; I1785-P1787 VanDerWaalsContact O-CD 3.25Å; I1785-P1787 WeakPolarHBondContact O-CD 3.41Å; I1785-L1807 HydrophobicContact CG2-CD2 4.35Å; I1785-W1808 HydrophobicContact CD1-CH2 4.49Å; I1785-F2326 HydrophobicContact CG2-CD2 4.39Å; I1785-N2329 HydrophobicContact CG2-CB 3.92Å; I1785-N2329 PolarHBondContact O-ND2 3Å; I1785-V2330 HydrophobicContact CG2-CG2 4.29Å |
| 1786 | L | 35.9 | Very low | 38 | Very low | 98.4 Ų | 98.4 | 121.1 Ų | 121.1 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -99.9 | 115.8 | 174.6 | -85.7 | 111.8 | 0 | 0 | 0 | 111.8 | L1783 S1784 N1788 H1789 P1804 L1807 | L1783-L1786 HydrophobicContact CD2-CB 4.4Å; L1783-L1786 HydrophobicContact CD2-CD1 3.94Å; L1783-L1786 PolarHBondContact O-N 3.41Å; S1784-L1786 VanDerWaalsContact C-N 3.32Å; L1786-N1788 PolarHBondContact O-N 3.04Å; L1786-N1788 VanDerWaalsContact O-N 3.09Å; L1786-H1789 HydrophobicContact CD2-CB 3.86Å; L1786-H1789 WeakPolarHBondContact CD2-CD2 3.48Å; L1786-P1804 HydrophobicContact CD1-CB 3.35Å; L1786-P1804 HydrophobicContact CD1-CG 3.28Å; L1786-P1804 HydrophobicContact CD2-CB 3.96Å; L1786-P1804 HydrophobicContact CD2-CG 3.58Å; L1786-P1804 HydrophobicContact CG-CB 4.35Å; L1786-P1804 HydrophobicContact CG-CG 3.79Å; L1786-L1807 HydrophobicContact CD1-CD1 4.3Å; L1786-L1807 HydrophobicContact CG-CD1 4.21Å |
| 1787 | P | 35.4 | Very low | 37.3 | Very low | 94.2 Ų | 94.2 | 120.4 Ų | 120.4 | 61% | 0.612 | 66% | 0.658 | S | S | * | * | trans | -69.8 | 113.5 | 179.9 | 11.9 | -9.6 | 0 | 0 | 0 | 111.4 | I1785 H1789 F2326 | I1785-P1787 VanDerWaalsContact O-CD 3.25Å; I1785-P1787 WeakPolarHBondContact O-CD 3.41Å; P1787-H1789 PolarHBondContact O-CD2 2.88Å; P1787-H1789 PolarHBondContact O-N 2.98Å; P1787-F2326 HydrophobicContact CG-CB 4.22Å | ||
| 1788 | N | 34.1 | Very low | 36.8 | Very low | 128.4 Ų | 128.4 | 119.3 Ų | 119.3 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | trans | 4.1 | 61.4 | 167.5 | -66.4 | -19.1 | 0 | 0 | 0 | 117.1 | L1786 H1790 E2462 | L1786-N1788 PolarHBondContact O-N 3.04Å; L1786-N1788 VanDerWaalsContact O-N 3.09Å; N1788-H1790 PolarHBondContact O-N 3.3Å; N1788-H1790 VanDerWaalsContact O-N 3.11Å; N1788-E2462 PolarHBondContact ND2-OE1 3.23Å | ||
| 1789 | H | 34 | Very low | 36.2 | Very low | 145.6 Ų | 145.6 | 117.9 Ų | 117.9 | 67% | 0.674 | 64% | 0.644 | S | S | * | * | trans | -99.2 | 71 | 158.1 | -90.8 | -65.6 | 0 | 0 | 0 | 110.6 | L1786 P1787 H1791 | L1786-H1789 HydrophobicContact CD2-CB 3.86Å; L1786-H1789 WeakPolarHBondContact CD2-CD2 3.48Å; P1787-H1789 PolarHBondContact O-CD2 2.88Å; P1787-H1789 PolarHBondContact O-N 2.98Å; H1789-H1791 VanDerWaalsContact C-N 3.29Å; H1789-H1791 PolarHBondContact O-N 2.98Å | ||
| 1790 | H | 31.8 | Very low | 35.8 | Very low | 177.6 Ų | 177.6 | 115.7 Ų | 115.7 | 82% | 0.822 | 64% | 0.639 | S | S | * | * | trans | -67.3 | 84.6 | 163 | -79.1 | -62.2 | 0 | 0 | 0 | 110.4 | N1788 P1792 | N1788-H1790 PolarHBondContact O-N 3.3Å; N1788-H1790 VanDerWaalsContact O-N 3.11Å; H1790-P1792 WeakPolarHBondContact O-CD 3.3Å | ||
| 1791 | H | 31.9 | Very low | 36 | Very low | 167 Ų | 167 | 111.6 Ų | 111.6 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | trans | -112.9 | 113.5 | 157.8 | -103.3 | -67.3 | 0 | 0 | 0 | 109 | H1789 N1793 | H1789-H1791 VanDerWaalsContact C-N 3.29Å; H1789-H1791 PolarHBondContact O-N 2.98Å; H1791-N1793 PolarHBondContact O-N 3.25Å | ||
| 1792 | P | 37.3 | Very low | 36.1 | Very low | 102.6 Ų | 102.6 | 106 Ų | 106 | 67% | 0.666 | 59% | 0.592 | S | S | * | * | trans | -73.8 | 84.5 | -179.4 | 29.9 | -31.2 | 0 | 0 | 0 | 110.2 | H1790 I1794 | H1790-P1792 WeakPolarHBondContact O-CD 3.3Å; P1792-I1794 VanDerWaalsContact C-N 3.32Å; P1792-I1794 PolarHBondContact O-N 3.29Å; P1792-I1794 VanDerWaalsContact O-N 3.09Å | ||
| 1793 | N | 33.5 | Very low | 36.3 | Very low | 132.6 Ų | 132.6 | 104.2 Ų | 104.2 | 71% | 0.709 | 58% | 0.577 | S | S | * | * | trans | -96.5 | 82.4 | 166.1 | -103 | -12 | 0 | 0 | 0 | 111.7 | H1791 N1795 S1796 | H1791-N1793 PolarHBondContact O-N 3.25Å; N1793-N1795 PolarHBondContact O-N 3.41Å; N1793-S1796 PolarHBondContact O-N 3.19Å; N1793-S1796 PolarHBondContact O-OG 3.21Å; N1793-S1796 VanDerWaalsContact O-OG 3.07Å | ||
| 1794 | I | 35 | Very low | 36.7 | Very low | 148.4 Ų | 148.4 | 100.5 Ų | 100.5 | 76% | 0.761 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 22.1 | 167.3 | -60.8 | 167.7 | 0 | 0 | 0 | 113.1 | P1792 | P1792-I1794 VanDerWaalsContact C-N 3.32Å; P1792-I1794 PolarHBondContact O-N 3.29Å; P1792-I1794 VanDerWaalsContact O-N 3.09Å |
| 1795 | N | 34 | Very low | 37.1 | Very low | 147.6 Ų | 147.6 | 97.8 Ų | 97.8 | 79% | 0.789 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | 27.7 | 170.6 | -74.4 | -14.3 | 0 | 0 | 0 | 113.6 | N1793 | N1793-N1795 PolarHBondContact O-N 3.41Š|
| 1796 | S | 34 | Very low | 37.6 | Very low | 84 Ų | 84 | 94.2 Ų | 94.2 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -76.4 | 127.8 | 171.4 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | N1793 I1798 | N1793-S1796 PolarHBondContact O-N 3.19Å; N1793-S1796 PolarHBondContact O-OG 3.21Å; N1793-S1796 VanDerWaalsContact O-OG 3.07Å; S1796-I1798 PolarHBondContact O-N 3.01Å |
| 1797 | P | 33.6 | Very low | 38.4 | Very low | 95.8 Ų | 95.8 | 93 Ų | 93 | 62% | 0.622 | 51% | 0.514 | S | S | * | . | trans | -61.6 | 129.9 | -179 | 25.1 | -32.1 | 0 | 0 | 0 | 110.5 | V1799 Y1839 I2300 | P1797-V1799 PolarHBondContact O-N 3.32Å; P1797-V1799 VanDerWaalsContact O-N 3.11Å; P1797-Y1839 HydrophobicContact CB-CD1 4Å; P1797-Y1839 HydrophobicContact CB-CE1 4Å; P1797-Y1839 HydrophobicContact CG-CE1 4.23Å; P1797-I2300 HydrophobicContact CB-CB 4.13Å; P1797-I2300 HydrophobicContact CB-CD1 3.5Å; P1797-I2300 HydrophobicContact CB-CG1 3.66Å; P1797-I2300 HydrophobicContact CB-CG2 3.34Å; P1797-I2300 HydrophobicContact CG-CD1 4.22Å | ||
| 1798 | I | 35.4 | Very low | 39.1 | Very low | 100.4 Ų | 100.4 | 94.4 Ų | 94.4 | 52% | 0.515 | 51% | 0.507 | S | S | . | . | trans | -64.4 | 108.8 | 179.1 | -62.3 | 169.2 | 0 | 0 | 0 | 108 | I1769 C1772 S1796 A1800 Y1839 Y1840 L2303 | I1769-I1798 HydrophobicContact CG1-CD1 4.43Å; I1769-I1798 HydrophobicContact CG2-CD1 3.74Å; C1772-I1798 HydrophobicContact CB-CD1 4.22Å; S1796-I1798 PolarHBondContact O-N 3.01Å; I1798-A1800 PolarHBondContact O-N 3.23Å; I1798-Y1839 HydrophobicContact CG2-CD1 4.49Å; I1798-Y1839 HydrophobicContact CG2-CE1 4.02Å; I1798-Y1840 HydrophobicContact CG2-CD2 4.17Å; I1798-L2303 HydrophobicContact CD1-CD1 3.78Å; I1798-L2303 HydrophobicContact CD1-CG 3.97Å | ||
| 1799 | V | 35.5 | Very low | 40.1 | Very low | 72.4 Ų | 72.4 | 90.4 Ų | 90.4 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | trans | -71 | 118.7 | -179.6 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | P1797 G1801 R1803 I1838 Y1839 L2315 D2319 N2322 Y2323 | P1797-V1799 PolarHBondContact O-N 3.32Å; P1797-V1799 VanDerWaalsContact O-N 3.11Å; V1799-G1801 VanDerWaalsContact C-N 3.25Å; V1799-G1801 PolarHBondContact O-N 3.15Å; V1799-R1803 WeakPolarHBondContact O-CD 3.24Å; V1799-R1803 PolarHBondContact O-NE 2.91Å; V1799-R1803 PolarHBondContact O-NH1 2.77Å; V1799-I1838 CarbonylContact C-O 3.45Å; V1799-I1838 WeakPolarHBondContact CA-O 3.46Å; V1799-I1838 HydrophobicContact CG1-CG2 3.76Å; V1799-I1838 WeakPolarHBondContact CG1-O 3.48Å; V1799-Y1839 HydrophobicContact CB-CE1 4.4Å; V1799-Y1839 HydrophobicContact CG2-CD1 4.3Å; V1799-Y1839 HydrophobicContact CG2-CE1 3.7Å; V1799-L2315 HydrophobicContact CG1-CD2 3.7Å; V1799-D2319 HydrophobicContact CG1-CB 3.98Å; V1799-N2322 HydrophobicContact CG1-CB 4.25Å; V1799-Y2323 PolarHBondContact O-OH 2.82Å | ||
| 1800 | A | 33.1 | Very low | 41.3 | Very low | 53 Ų | 53 | 84.9 Ų | 84.9 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | trans | -67.6 | 119.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | I1798 F1837 I1838 Y1840 I2298 L2315 | I1798-A1800 PolarHBondContact O-N 3.23Å; A1800-F1837 CarbonylContact C-O 3.53Å; A1800-F1837 WeakPolarHBondContact CA-O 3.42Å; A1800-F1837 WeakPolarHBondContact CB-O 3.44Å; A1800-I1838 HydrophobicContact CB-CB 4.35Å; A1800-I1838 HydrophobicContact CB-CG1 4.26Å; A1800-I1838 HydrophobicContact CB-CG2 3.66Å; A1800-I1838 VanDerWaalsContact N-C 3.31Å; A1800-I1838 PolarHBondContact N-O 2.85Å; A1800-Y1840 HydrophobicContact CB-CD1 4.48Å; A1800-Y1840 HydrophobicContact CB-CD2 3.85Å; A1800-Y1840 HydrophobicContact CB-CE1 4.33Å; A1800-Y1840 HydrophobicContact CB-CE2 3.69Å; A1800-Y1840 HydrophobicContact CB-CG 4.24Å; A1800-I2298 HydrophobicContact CB-CB 4.42Å; A1800-I2298 HydrophobicContact CB-CD1 3.59Å; A1800-I2298 HydrophobicContact CB-CG1 3.77Å; A1800-I2298 HydrophobicContact CB-CG2 3.76Å; A1800-L2315 HydrophobicContact CB-CD2 3.6Å | ||
| 1801 | G | 43.2 | Very low | 42.8 | Very low | 21.5 Ų | 21.5 | 77.3 Ų | 77.3 | 22% | 0.222 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -140.6 | 170.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1799 R1803 N1806 I1838 | V1799-G1801 VanDerWaalsContact C-N 3.25Å; V1799-G1801 PolarHBondContact O-N 3.15Å; G1801-R1803 PolarHBondContact O-N 3.29Å; G1801-N1806 PolarHBondContact O-ND2 2.88Å; G1801-I1838 WeakPolarHBondContact CA-O 3.35Å; G1801-I1838 PolarHBondContact N-O 3.06Å |
| 1802 | P | 43.9 | Very low | 44.3 | Very low | 32.5 Ų | 32.5 | 72.9 Ų | 72.9 | 21% | 0.211 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -60.9 | 123.8 | 174.8 | 25.4 | -32.3 | 0 | 0 | 0 | 110.3 | N1806 W2233 Y2323 F2326 I2327 | P1802-N1806 VanDerWaalsContact CA-ND2 3.32Å; P1802-N1806 WeakPolarHBondContact CA-ND2 3.49Å; P1802-N1806 HydrophobicContact CB-CB 3.72Å; P1802-N1806 WeakPolarHBondContact CB-ND2 3.2Å; P1802-W2233 HydrophobicContact CB-CD2 3.99Å; P1802-W2233 HydrophobicContact CB-CE3 4.06Å; P1802-W2233 HydrophobicContact CB-CG 4.3Å; P1802-Y2323 VanDerWaalsContact CD-CE2 3.46Å; P1802-Y2323 HydrophobicContact CG-CD1 4.05Å; P1802-Y2323 HydrophobicContact CG-CE2 4.29Å; P1802-Y2323 WeakPolarHBondContact O-CD1 3.49Å; P1802-F2326 HydrophobicContact CB-CD1 4.12Å; P1802-F2326 HydrophobicContact CB-CE1 4.08Å; P1802-F2326 HydrophobicContact CG-CD1 4.4Å; P1802-F2326 HydrophobicContact CG-CE1 3.71Å; P1802-F2326 HydrophobicContact CG-CZ 4.33Å; P1802-F2326 WeakPolarHBondContact O-CD1 3.35Å; P1802-F2326 WeakPolarHBondContact O-CE1 3.43Å; P1802-I2327 HydrophobicContact CB-CD1 3.32Å; P1802-I2327 HydrophobicContact CB-CG1 3.83Å; P1802-I2327 HydrophobicContact CG-CD1 3.94Å; P1802-I2327 HydrophobicContact CG-CG1 4Å |
| 1803 | R | 44.1 | Very low | 45.3 | Very low | 73 Ų | 73 | 71.7 Ų | 71.7 | 28% | 0.275 | 39% | 0.393 | S | S | . | . | trans | -72.8 | 150.6 | -174.5 | -79.1 | -176 | -154 | -179.8 | 8.6 | 112.1 | V1799 G1801 D1805 N1806 L1807 Y1840 Y2323 F2326 | V1799-R1803 WeakPolarHBondContact O-CD 3.24Å; V1799-R1803 PolarHBondContact O-NE 2.91Å; V1799-R1803 PolarHBondContact O-NH1 2.77Å; G1801-R1803 PolarHBondContact O-N 3.29Å; R1803-D1805 VanDerWaalsContact C-N 3.3Å; R1803-D1805 VanDerWaalsContact C-OD1 3.26Å; R1803-D1805 WeakPolarHBondContact CB-OD1 3.37Å; R1803-D1805 WeakPolarHBondContact CD-OD1 3.1Å; R1803-D1805 VanDerWaalsContact CG-OD1 3.25Å; R1803-D1805 WeakPolarHBondContact CG-OD1 3.47Å; R1803-D1805 IonicContact CZ-OD1 3.44Å; R1803-D1805 VanDerWaalsContact CZ-OD1 3.26Å; R1803-D1805 IonicContact CZ-OD2 3.07Å; R1803-D1805 VanDerWaalsContact CZ-OD2 3.22Å; R1803-D1805 IonicContact NE-OD1 3.81Å; R1803-D1805 PolarHBondContact NE-OD1 3.05Å; R1803-D1805 IonicContact NE-OD2 3.37Å; R1803-D1805 IonicContact NH1-OD1 3.48Å; R1803-D1805 IonicContact NH1-OD2 3.29Å; R1803-D1805 PolarHBondContact NH1-OD2 2.95Å; R1803-D1805 VanDerWaalsContact NH2-CG 3.31Å; R1803-D1805 IonicContact NH2-OD1 3.66Å; R1803-D1805 PolarHBondContact NH2-OD1 3.31Å; R1803-D1805 IonicContact NH2-OD2 3.64Å; R1803-D1805 PolarHBondContact NH2-OD2 2.96Å; R1803-D1805 PolarHBondContact O-N 3.23Å; R1803-D1805 VanDerWaalsContact O-N 3.1Å; R1803-N1806 HydrophobicContact CB-CB 4.33Å; R1803-N1806 PolarHBondContact N-ND2 2.8Å; R1803-N1806 PolarHBondContact NH2-OD1 2.92Å; R1803-N1806 CarbonylContact O-C 3.54Å; R1803-N1806 WeakPolarHBondContact O-CA 3.32Å; R1803-N1806 VanDerWaalsContact O-CB 3.25Å; R1803-N1806 WeakPolarHBondContact O-CB 3.37Å; R1803-N1806 PolarHBondContact O-N 3.04Å; R1803-N1806 VanDerWaalsContact O-N 3.15Å; R1803-L1807 PolarHBondContact O-N 3.23Å; R1803-Y1840 VanDerWaalsContact CZ-OH 3.28Å; R1803-Y1840 PolarHBondContact NE-OH 3.38Å; R1803-Y1840 PolarHBondContact NH2-OH 2.87Å; R1803-Y2323 HydrophobicContact CG-CD1 3.98Å; R1803-Y2323 HydrophobicContact CG-CE1 3.21Å; R1803-F2326 VanDerWaalsContact C-CE2 3.41Å; R1803-F2326 WeakPolarHBondContact O-CE2 3.38Å; R1803-F2326 WeakPolarHBondContact O-CZ 3.45Å | ||
| 1804 | P | 45.8 | Very low | 46.8 | Very low | 50.75 Ų | 50.75 | 71.1 Ų | 71.1 | 33% | 0.33 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -55.5 | -28.4 | 177 | -15.3 | 18.3 | 0 | 0 | 0 | 115.3 | M1776 L1786 N1806 L1807 F2326 | M1776-P1804 HydrophobicContact CE-CB 3.37Å; M1776-P1804 HydrophobicContact CE-CG 3.69Å; L1786-P1804 HydrophobicContact CD1-CB 3.35Å; L1786-P1804 HydrophobicContact CD1-CG 3.28Å; L1786-P1804 HydrophobicContact CD2-CB 3.96Å; L1786-P1804 HydrophobicContact CD2-CG 3.58Å; L1786-P1804 HydrophobicContact CG-CB 4.35Å; L1786-P1804 HydrophobicContact CG-CG 3.79Å; P1804-N1806 VanDerWaalsContact C-N 3.29Å; P1804-N1806 PolarHBondContact O-N 2.84Å; P1804-L1807 HydrophobicContact CB-CD1 4.1Å; P1804-L1807 WeakPolarHBondContact O-CB 3.31Å; P1804-L1807 WeakPolarHBondContact O-CD1 3.18Å; P1804-L1807 WeakPolarHBondContact O-CG 3.47Å; P1804-L1807 PolarHBondContact O-N 3.35Å; P1804-L1807 VanDerWaalsContact O-N 3.08Å; P1804-F2326 VanDerWaalsContact CA-CE2 3.43Å; P1804-F2326 HydrophobicContact CB-CD2 4.33Å; P1804-F2326 HydrophobicContact CB-CE2 4.37Å; P1804-F2326 HydrophobicContact CG-CD2 3.87Å; P1804-F2326 HydrophobicContact CG-CE2 4.37Å |
| 1805 | D | 46.9 | Very low | 48.3 | Very low | 37.25 Ų | 37.25 | 65.5 Ų | 65.5 | 20% | 0.199 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -72 | -15.3 | 175.1 | 50.1 | -30.5 | 0 | 0 | 0 | 113.8 | C1772 K1775 M1776 R1803 L1807 W1808 L1809 H1828 | C1772-D1805 HydrophobicContact CB-CB 3.75Å; C1772-D1805 WeakPolarHBondContact SG-CB 3.49Å; C1772-D1805 PolarHBondContact SG-OD2 3.21Å; K1775-D1805 HydrophobicContact CD-CB 3.62Å; K1775-D1805 IonicContact NZ-OD2 3.66Å; K1775-D1805 PolarHBondContact NZ-OD2 2.91Å; M1776-D1805 HydrophobicContact CE-CB 3.52Å; M1776-D1805 HydrophobicContact CG-CB 3.58Å; M1776-D1805 HydrophobicContact SD-CB 3.94Å; R1803-D1805 VanDerWaalsContact C-N 3.3Å; R1803-D1805 VanDerWaalsContact C-OD1 3.26Å; R1803-D1805 WeakPolarHBondContact CB-OD1 3.37Å; R1803-D1805 WeakPolarHBondContact CD-OD1 3.1Å; R1803-D1805 VanDerWaalsContact CG-OD1 3.25Å; R1803-D1805 WeakPolarHBondContact CG-OD1 3.47Å; R1803-D1805 IonicContact CZ-OD1 3.44Å; R1803-D1805 VanDerWaalsContact CZ-OD1 3.26Å; R1803-D1805 IonicContact CZ-OD2 3.07Å; R1803-D1805 VanDerWaalsContact CZ-OD2 3.22Å; R1803-D1805 IonicContact NE-OD1 3.81Å; R1803-D1805 PolarHBondContact NE-OD1 3.05Å; R1803-D1805 IonicContact NE-OD2 3.37Å; R1803-D1805 IonicContact NH1-OD1 3.48Å; R1803-D1805 IonicContact NH1-OD2 3.29Å; R1803-D1805 PolarHBondContact NH1-OD2 2.95Å; R1803-D1805 VanDerWaalsContact NH2-CG 3.31Å; R1803-D1805 IonicContact NH2-OD1 3.66Å; R1803-D1805 PolarHBondContact NH2-OD1 3.31Å; R1803-D1805 IonicContact NH2-OD2 3.64Å; R1803-D1805 PolarHBondContact NH2-OD2 2.96Å; R1803-D1805 PolarHBondContact O-N 3.23Å; R1803-D1805 VanDerWaalsContact O-N 3.1Å; D1805-L1807 PolarHBondContact O-N 2.86Å; D1805-W1808 PolarHBondContact O-N 3.26Å; D1805-W1808 VanDerWaalsContact O-N 3.07Å; D1805-W1808 PolarHBondContact O-NE1 3.47Å; D1805-L1809 HydrophobicContact CB-CD1 4.06Å; D1805-L1809 VanDerWaalsContact O-CB 3.32Å; D1805-L1809 WeakPolarHBondContact O-CB 3.43Å; D1805-L1809 WeakPolarHBondContact O-CD1 3.33Å; D1805-L1809 WeakPolarHBondContact O-CG 3.31Å; D1805-L1809 PolarHBondContact O-N 3.04Å; D1805-H1828 IonicContact OD2-CD2 3.45Å; D1805-H1828 PolarHBondContact OD2-CD2 3.46Å |
| 1806 | N | 51.1 | Low | 50.2 | Low | 14.75 Ų | 14.75 | 60.9 Ų | 60.9 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -82.3 | -6.9 | 176.1 | -73.3 | -9.6 | 0 | 0 | 0 | 113.3 | G1801 P1802 R1803 P1804 W1808 L1809 L1810 G1836 Y1840 W2233 | G1801-N1806 PolarHBondContact O-ND2 2.88Å; P1802-N1806 VanDerWaalsContact CA-ND2 3.32Å; P1802-N1806 WeakPolarHBondContact CA-ND2 3.49Å; P1802-N1806 HydrophobicContact CB-CB 3.72Å; P1802-N1806 WeakPolarHBondContact CB-ND2 3.2Å; R1803-N1806 HydrophobicContact CB-CB 4.33Å; R1803-N1806 PolarHBondContact N-ND2 2.8Å; R1803-N1806 PolarHBondContact NH2-OD1 2.92Å; R1803-N1806 CarbonylContact O-C 3.54Å; R1803-N1806 WeakPolarHBondContact O-CA 3.32Å; R1803-N1806 VanDerWaalsContact O-CB 3.25Å; R1803-N1806 WeakPolarHBondContact O-CB 3.37Å; R1803-N1806 PolarHBondContact O-N 3.04Å; R1803-N1806 VanDerWaalsContact O-N 3.15Å; P1804-N1806 VanDerWaalsContact C-N 3.29Å; P1804-N1806 PolarHBondContact O-N 2.84Å; N1806-W1808 PolarHBondContact O-N 3.35Å; N1806-W1808 VanDerWaalsContact O-N 3.11Å; N1806-L1809 HydrophobicContact CB-CB 4.19Å; N1806-L1809 HydrophobicContact CB-CD1 4Å; N1806-L1809 VanDerWaalsContact O-CB 3.26Å; N1806-L1809 WeakPolarHBondContact O-CB 3.34Å; N1806-L1809 PolarHBondContact O-N 3.04Å; N1806-L1809 VanDerWaalsContact OD1-CD1 3.25Å; N1806-L1809 WeakPolarHBondContact OD1-CD1 3.05Å; N1806-L1810 HydrophobicContact CB-CD1 3.84Å; N1806-L1810 HydrophobicContact CB-CG 4.21Å; N1806-L1810 WeakPolarHBondContact O-CD1 3.22Å; N1806-L1810 WeakPolarHBondContact O-CG 3.4Å; N1806-L1810 PolarHBondContact O-N 3.33Å; N1806-G1836 PolarHBondContact ND2-O 3Å; N1806-G1836 VanDerWaalsContact ND2-O 3.16Å; N1806-Y1840 VanDerWaalsContact CG-OH 3.26Å; N1806-Y1840 PolarHBondContact ND2-OH 3.31Å; N1806-Y1840 VanDerWaalsContact ND2-OH 3.07Å; N1806-Y1840 PolarHBondContact OD1-OH 2.77Å; N1806-W2233 HydrophobicContact CB-CH2 3.91Å; N1806-W2233 HydrophobicContact CB-CZ3 3.84Å |
| 1807 | L | 52.2 | Low | 52.3 | Low | 74.25 Ų | 74.25 | 57.1 Ų | 57.1 | 39% | 0.389 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -55.7 | -33.7 | 175.9 | -81.2 | 162.6 | 0 | 0 | 0 | 112.6 | I1785 L1786 R1803 P1804 D1805 L1809 L1810 F2326 V2330 | I1785-L1807 HydrophobicContact CG2-CD2 4.35Å; L1786-L1807 HydrophobicContact CD1-CD1 4.3Å; L1786-L1807 HydrophobicContact CG-CD1 4.21Å; R1803-L1807 PolarHBondContact O-N 3.23Å; P1804-L1807 HydrophobicContact CB-CD1 4.1Å; P1804-L1807 WeakPolarHBondContact O-CB 3.31Å; P1804-L1807 WeakPolarHBondContact O-CD1 3.18Å; P1804-L1807 WeakPolarHBondContact O-CG 3.47Å; P1804-L1807 PolarHBondContact O-N 3.35Å; P1804-L1807 VanDerWaalsContact O-N 3.08Å; D1805-L1807 PolarHBondContact O-N 2.86Å; L1807-L1809 VanDerWaalsContact C-N 3.26Å; L1807-L1809 PolarHBondContact O-N 3.32Å; L1807-L1810 HydrophobicContact CD2-CD1 3.98Å; L1807-L1810 WeakPolarHBondContact O-CB 3.44Å; L1807-L1810 PolarHBondContact O-N 3.01Å; L1807-L1810 VanDerWaalsContact O-N 3.17Å; L1807-F2326 HydrophobicContact CD1-CE2 4.22Å; L1807-F2326 HydrophobicContact CD1-CZ 4.46Å; L1807-F2326 HydrophobicContact CD2-CE2 3.67Å; L1807-F2326 HydrophobicContact CD2-CZ 3.58Å; L1807-F2326 HydrophobicContact CG-CE2 3.89Å; L1807-F2326 HydrophobicContact CG-CZ 3.92Å; L1807-V2330 HydrophobicContact CD2-CG2 3.92Å |
| 1808 | W | 51.7 | Low | 54.6 | Low | 122 Ų | 122 | 52.6 Ų | 52.6 | 46% | 0.462 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -85.9 | -15.9 | -179 | -42.2 | 109 | 0 | 0 | 0 | 114.1 | I1771 K1775 N1779 I1781 I1785 D1805 N1806 L1810 N1812 H1828 V1830 | I1771-W1808 HydrophobicContact CG2-CH2 3.75Å; I1771-W1808 HydrophobicContact CG2-CZ2 3.73Å; I1771-W1808 HydrophobicContact CG2-CZ3 4.18Å; K1775-W1808 HydrophobicContact CB-CD2 4.23Å; K1775-W1808 HydrophobicContact CB-CG 4.19Å; K1775-W1808 HydrophobicContact CD-CB 4.26Å; K1775-W1808 HydrophobicContact CD-CD2 4.32Å; K1775-W1808 HydrophobicContact CD-CG 4.15Å; K1775-W1808 HydrophobicContact CG-CB 4.29Å; K1775-W1808 HydrophobicContact CG-CD2 4.43Å; K1775-W1808 HydrophobicContact CG-CG 3.97Å; N1779-W1808 HydrophobicContact CB-CH2 3.31Å; N1779-W1808 HydrophobicContact CB-CZ2 3.87Å; N1779-W1808 HydrophobicContact CB-CZ3 4.14Å; N1779-W1808 WeakPolarHBondContact ND2-CH2 3.25Å; N1779-W1808 WeakPolarHBondContact ND2-CZ3 3.45Å; I1781-W1808 HydrophobicContact CD1-CH2 4.39Å; I1781-W1808 HydrophobicContact CD1-CZ3 4.49Å; I1785-W1808 HydrophobicContact CD1-CH2 4.49Å; D1805-W1808 PolarHBondContact O-N 3.26Å; D1805-W1808 VanDerWaalsContact O-N 3.07Å; D1805-W1808 PolarHBondContact O-NE1 3.47Å; N1806-W1808 PolarHBondContact O-N 3.35Å; N1806-W1808 VanDerWaalsContact O-N 3.11Å; W1808-L1810 VanDerWaalsContact C-N 3.35Å; W1808-N1812 WeakPolarHBondContact O-CB 3.22Å; W1808-H1828 AromaticContact CE3-CD2 3.75Å; W1808-H1828 HydrophobicContact CZ3-CB 4.4Å; W1808-H1828 AromaticContact CZ3-CD2 3.81Å; W1808-V1830 HydrophobicContact CH2-CG2 4.31Å; W1808-V1830 HydrophobicContact CZ3-CG2 4.37Å |
| 1809 | L | 53.7 | Low | 56.6 | Low | 46.25 Ų | 46.25 | 54.7 Ų | 54.7 | 24% | 0.242 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -90.6 | -16 | -179.6 | -74.1 | 168.5 | 0 | 0 | 0 | 113.5 | D1805 N1806 L1807 F1811 A1815 H1828 V1830 C1835 Y1840 H2151 W2233 I2234 | D1805-L1809 HydrophobicContact CB-CD1 4.06Å; D1805-L1809 VanDerWaalsContact O-CB 3.32Å; D1805-L1809 WeakPolarHBondContact O-CB 3.43Å; D1805-L1809 WeakPolarHBondContact O-CD1 3.33Å; D1805-L1809 WeakPolarHBondContact O-CG 3.31Å; D1805-L1809 PolarHBondContact O-N 3.04Å; N1806-L1809 HydrophobicContact CB-CB 4.19Å; N1806-L1809 HydrophobicContact CB-CD1 4Å; N1806-L1809 VanDerWaalsContact O-CB 3.26Å; N1806-L1809 WeakPolarHBondContact O-CB 3.34Å; N1806-L1809 PolarHBondContact O-N 3.04Å; N1806-L1809 VanDerWaalsContact OD1-CD1 3.25Å; N1806-L1809 WeakPolarHBondContact OD1-CD1 3.05Å; L1807-L1809 VanDerWaalsContact C-N 3.26Å; L1807-L1809 PolarHBondContact O-N 3.32Å; L1809-F1811 VanDerWaalsContact C-N 3.29Å; L1809-F1811 PolarHBondContact O-N 3.1Å; L1809-A1815 HydrophobicContact CD2-CB 4.04Å; L1809-H1828 VanDerWaalsContact CD2-CE1 3.42Å; L1809-H1828 WeakPolarHBondContact CD2-CE1 3.45Å; L1809-V1830 HydrophobicContact CD2-CB 4.27Å; L1809-V1830 HydrophobicContact CD2-CG2 4.44Å; L1809-C1835 HydrophobicContact CD1-CB 4.12Å; L1809-C1835 HydrophobicContact CD2-CB 4.15Å; L1809-C1835 WeakPolarHBondContact CD2-SG 3.15Å; L1809-Y1840 HydrophobicContact CD1-CE2 4.26Å; L1809-Y1840 VanDerWaalsContact CD1-OH 3.31Å; L1809-Y1840 WeakPolarHBondContact CD1-OH 3.28Å; L1809-H2151 PolarHBondContact O-NE2 3.48Å; L1809-H2151 VanDerWaalsContact O-NE2 3.09Å; L1809-W2233 HydrophobicContact CB-CH2 4.14Å; L1809-W2233 HydrophobicContact CD1-CH2 4.3Å; L1809-I2234 WeakPolarHBondContact O-CG2 3.35Å |
| 1810 | L | 59.9 | Low | 58.7 | Low | 30 Ų | 30 | 53.6 Ų | 53.6 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -66.8 | 87.7 | 180 | -68.9 | 171.4 | 0 | 0 | 0 | 111.6 | N1806 L1807 W1808 N1812 C1835 H2151 W2233 P2237 V2330 | N1806-L1810 HydrophobicContact CB-CD1 3.84Å; N1806-L1810 HydrophobicContact CB-CG 4.21Å; N1806-L1810 WeakPolarHBondContact O-CD1 3.22Å; N1806-L1810 WeakPolarHBondContact O-CG 3.4Å; N1806-L1810 PolarHBondContact O-N 3.33Å; L1807-L1810 HydrophobicContact CD2-CD1 3.98Å; L1807-L1810 WeakPolarHBondContact O-CB 3.44Å; L1807-L1810 PolarHBondContact O-N 3.01Å; L1807-L1810 VanDerWaalsContact O-N 3.17Å; W1808-L1810 VanDerWaalsContact C-N 3.35Å; L1810-N1812 VanDerWaalsContact C-N 3.33Å; L1810-N1812 PolarHBondContact O-N 3.1Å; L1810-N1812 VanDerWaalsContact O-N 3.11Å; L1810-C1835 HydrophobicContact CD1-CB 3.84Å; L1810-C1835 HydrophobicContact CD2-CB 4.02Å; L1810-H2151 PolarHBondContact O-CE1 3.44Å; L1810-H2151 PolarHBondContact O-NE2 3.41Å; L1810-W2233 HydrophobicContact CD2-CE3 3.58Å; L1810-W2233 HydrophobicContact CD2-CZ3 3.54Å; L1810-W2233 VanDerWaalsContact CD2-CZ3 3.44Å; L1810-W2233 VanDerWaalsContact CD2-O 3.29Å; L1810-W2233 WeakPolarHBondContact CD2-O 3.35Å; L1810-W2233 HydrophobicContact CG-CZ3 4.25Å; L1810-P2237 HydrophobicContact CB-CG 4.05Å; L1810-P2237 HydrophobicContact CD1-CG 4.29Å; L1810-V2330 HydrophobicContact CD1-CG1 3.82Å; L1810-V2330 HydrophobicContact CD1-CG2 4.24Å; L1810-V2330 HydrophobicContact CD2-CG1 4.25Å |
| 1811 | F | 62 | Low | 60.9 | Low | 16.75 Ų | 16.75 | 55.9 Ų | 55.9 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | trans | -52.7 | 88.6 | -179.8 | -140.4 | -78.3 | 0 | 0 | 0 | 111.6 | L1809 E1813 V2150 L2153 H2154 F2227 L2231 I2234 L2238 | L1809-F1811 VanDerWaalsContact C-N 3.29Å; L1809-F1811 PolarHBondContact O-N 3.1Å; F1811-E1813 VanDerWaalsContact C-N 3.35Å; F1811-E1813 HydrophobicContact CE1-CB 4.18Å; F1811-E1813 PolarHBondContact O-N 3.17Å; F1811-V2150 HydrophobicContact CD2-CB 4.46Å; F1811-V2150 HydrophobicContact CD2-CG2 4.32Å; F1811-V2150 VanDerWaalsContact CE2-O 3.23Å; F1811-V2150 WeakPolarHBondContact CE2-O 3.29Å; F1811-L2153 HydrophobicContact CE2-CB 4.44Å; F1811-H2154 HydrophobicContact CE1-CB 4.41Å; F1811-H2154 HydrophobicContact CZ-CB 4.21Å; F1811-F2227 HydrophobicContact CD2-CE1 4.47Å; F1811-F2227 AromaticContact CE2-CE1 3.88Å; F1811-F2227 HydrophobicContact CE2-CE1 4.15Å; F1811-F2227 HydrophobicContact CE2-CZ 4.03Å; F1811-F2227 HydrophobicContact CZ-CE1 4.12Å; F1811-F2227 HydrophobicContact CZ-CZ 4.25Å; F1811-L2231 HydrophobicContact CB-CD1 4.37Å; F1811-L2231 HydrophobicContact CD2-CD1 4.06Å; F1811-L2231 HydrophobicContact CE2-CD1 4.4Å; F1811-L2231 HydrophobicContact CG-CD1 4.26Å; F1811-I2234 HydrophobicContact CB-CG2 4.02Å; F1811-I2234 WeakPolarHBondContact CB-O 3.42Å; F1811-I2234 PolarHBondContact N-O 3.21Å; F1811-L2238 HydrophobicContact CB-CD1 4.38Å; F1811-L2238 HydrophobicContact CB-CG 4.44Å; F1811-L2238 HydrophobicContact CD1-CD1 3.69Å; F1811-L2238 HydrophobicContact CD1-CD2 3.63Å; F1811-L2238 HydrophobicContact CD1-CG 3.83Å; F1811-L2238 HydrophobicContact CD2-CD1 4.47Å; F1811-L2238 HydrophobicContact CE1-CD1 3.98Å; F1811-L2238 HydrophobicContact CE1-CD2 3.9Å; F1811-L2238 HydrophobicContact CE1-CG 4.21Å; F1811-L2238 HydrophobicContact CG-CD1 4.13Å; F1811-L2238 HydrophobicContact CG-CG 4.35Å | ||
| 1812 | N | 63.7 | Low | 62.6 | Low | 75 Ų | 75 | 63.5 Ų | 63.5 | 40% | 0.401 | 31% | 0.312 | S | S | . | . | trans | -84.3 | 109.2 | 166.7 | -176.2 | -5.1 | 0 | 0 | 0 | 109.1 | W1808 L1810 N1814 A1815 | W1808-N1812 WeakPolarHBondContact O-CB 3.22Å; L1810-N1812 VanDerWaalsContact C-N 3.33Å; L1810-N1812 PolarHBondContact O-N 3.1Å; L1810-N1812 VanDerWaalsContact O-N 3.11Å; N1812-N1814 PolarHBondContact O-N 3.02Å; N1812-N1814 WeakPolarHBondContact OD1-CA 3.45Å; N1812-N1814 WeakPolarHBondContact OD1-CB 3.19Å; N1812-N1814 PolarHBondContact OD1-N 3.08Å; N1812-N1814 PolarHBondContact OD1-ND2 3.25Å; N1812-A1815 HydrophobicContact CB-CB 3.97Å; N1812-A1815 VanDerWaalsContact O-CB 3.26Å; N1812-A1815 WeakPolarHBondContact O-CB 3.4Å; N1812-A1815 PolarHBondContact O-N 3.22Å; N1812-A1815 PolarHBondContact OD1-N 3.12Å | ||
| 1813 | E | 59.8 | Low | 64.2 | Low | 77.5 Ų | 77.5 | 63.2 Ų | 63.2 | 36% | 0.362 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -57.3 | -24.6 | 176.1 | -5.9 | 173.2 | -151.6 | 0 | 0 | 113 | F1811 A1815 K1816 W2157 L2238 R2241 | F1811-E1813 VanDerWaalsContact C-N 3.35Å; F1811-E1813 HydrophobicContact CE1-CB 4.18Å; F1811-E1813 PolarHBondContact O-N 3.17Å; E1813-A1815 VanDerWaalsContact C-N 3.29Å; E1813-A1815 PolarHBondContact O-N 3.45Å; E1813-K1816 VanDerWaalsContact O-CG 3.31Å; E1813-K1816 WeakPolarHBondContact O-CG 3.2Å; E1813-W2157 PolarHBondContact OE2-NE1 3.25Å; E1813-L2238 HydrophobicContact CB-CD2 4.26Å; E1813-L2238 VanDerWaalsContact OE2-CD2 3.23Å; E1813-L2238 WeakPolarHBondContact OE2-CD2 3.41Å; E1813-R2241 VanDerWaalsContact OE1-CD 3.26Å; E1813-R2241 WeakPolarHBondContact OE1-CD 3.17Å; E1813-R2241 IonicContact OE1-CZ 3.69Å; E1813-R2241 IonicContact OE1-NE 3.13Å; E1813-R2241 PolarHBondContact OE1-NE 3.08Å; E1813-R2241 IonicContact OE1-NH1 3.25Å; E1813-R2241 PolarHBondContact OE1-NH1 3.1Å; E1813-R2241 WeakPolarHBondContact OE2-CD 3.29Å; E1813-R2241 IonicContact OE2-CZ 3.59Å; E1813-R2241 IonicContact OE2-NE 3.3Å; E1813-R2241 IonicContact OE2-NH1 3.62Å; E1813-R2241 PolarHBondContact OE2-NH1 2.83Å |
| 1814 | N | 63.9 | Low | 66 | Low | 121 Ų | 121 | 60.1 Ų | 60.1 | 65% | 0.647 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -84.2 | -15.3 | 178.3 | -63.1 | -33.2 | 0 | 0 | 0 | 113.3 | N1812 K1816 R2241 | N1812-N1814 PolarHBondContact O-N 3.02Å; N1812-N1814 WeakPolarHBondContact OD1-CA 3.45Å; N1812-N1814 WeakPolarHBondContact OD1-CB 3.19Å; N1812-N1814 PolarHBondContact OD1-N 3.08Å; N1812-N1814 PolarHBondContact OD1-ND2 3.25Å; N1814-K1816 VanDerWaalsContact C-N 3.25Å; N1814-K1816 PolarHBondContact O-N 3.27Å; N1814-K1816 VanDerWaalsContact O-N 3.11Å; N1814-R2241 VanDerWaalsContact CG-NH2 3.35Å; N1814-R2241 PolarHBondContact ND2-NH2 3.36Å; N1814-R2241 PolarHBondContact OD1-NH1 3.29Å; N1814-R2241 PolarHBondContact OD1-NH2 2.99Å |
| 1815 | A | 65.9 | Low | 67.6 | Low | 30 Ų | 30 | 60.6 Ų | 60.6 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -73.1 | 11.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1809 N1812 E1813 I1817 | L1809-A1815 HydrophobicContact CD2-CB 4.04Å; N1812-A1815 HydrophobicContact CB-CB 3.97Å; N1812-A1815 VanDerWaalsContact O-CB 3.26Å; N1812-A1815 WeakPolarHBondContact O-CB 3.4Å; N1812-A1815 PolarHBondContact O-N 3.22Å; N1812-A1815 PolarHBondContact OD1-N 3.12Å; E1813-A1815 VanDerWaalsContact C-N 3.29Å; E1813-A1815 PolarHBondContact O-N 3.45Å; A1815-I1817 VanDerWaalsContact C-N 3.3Å; A1815-I1817 HydrophobicContact CB-CD1 3.97Å; A1815-I1817 HydrophobicContact CB-CG1 4.18Å; A1815-I1817 PolarHBondContact O-N 3.23Å; A1815-I1817 VanDerWaalsContact O-N 3.1Å |
| 1816 | K | 75.2 | Confident | 68.8 | Low | 51.25 Ų | 51.25 | 62.9 Ų | 62.9 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | trans | -17.6 | 64.1 | 175.5 | -62.2 | -170.5 | 178 | -152.8 | 0 | 111.9 | E1813 N1814 L1818 R1819 H2154 D2158 | E1813-K1816 VanDerWaalsContact O-CG 3.31Å; E1813-K1816 WeakPolarHBondContact O-CG 3.2Å; N1814-K1816 VanDerWaalsContact C-N 3.25Å; N1814-K1816 PolarHBondContact O-N 3.27Å; N1814-K1816 VanDerWaalsContact O-N 3.11Å; K1816-L1818 VanDerWaalsContact C-N 3.29Å; K1816-L1818 PolarHBondContact O-N 3.09Å; K1816-L1818 VanDerWaalsContact O-N 3.13Å; K1816-R1819 HydrophobicContact CB-CB 3.81Å; K1816-R1819 HydrophobicContact CB-CG 4.43Å; K1816-R1819 WeakPolarHBondContact O-CB 3.35Å; K1816-R1819 PolarHBondContact O-N 3.18Å; K1816-R1819 VanDerWaalsContact O-N 3.1Å; K1816-H2154 VanDerWaalsContact C-NE2 3.35Å; K1816-D2158 IonicContact NZ-OD1 3.1Å; K1816-D2158 IonicContact NZ-OD2 3.7Å; K1816-D2158 PolarHBondContact NZ-OD2 3.26Å | ||
| 1817 | I | 78.1 | Confident | 70.1 | Confident | 4.75 Ų | 4.75 | 63.4 Ų | 63.4 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -39.5 | -169.5 | -67.2 | 159.4 | 0 | 0 | 0 | 112.5 | A1815 R1819 Y1824 H1827 H2151 | A1815-I1817 VanDerWaalsContact C-N 3.3Å; A1815-I1817 HydrophobicContact CB-CD1 3.97Å; A1815-I1817 HydrophobicContact CB-CG1 4.18Å; A1815-I1817 PolarHBondContact O-N 3.23Å; A1815-I1817 VanDerWaalsContact O-N 3.1Å; I1817-R1819 VanDerWaalsContact C-N 3.31Å; I1817-R1819 PolarHBondContact O-N 3.17Å; I1817-Y1824 HydrophobicContact CG2-CD2 3.87Å; I1817-Y1824 HydrophobicContact CG2-CG 4.48Å; I1817-Y1824 WeakPolarHBondContact O-CA 3.45Å; I1817-Y1824 WeakPolarHBondContact O-CB 3.35Å; I1817-Y1824 PolarHBondContact O-N 3.31Å; I1817-Y1824 VanDerWaalsContact O-N 3.16Å; I1817-H1827 HydrophobicContact CD1-CB 4.34Å; I1817-H1827 VanDerWaalsContact CD1-CD2 3.47Å; I1817-H1827 WeakPolarHBondContact CD1-CD2 3.44Å; I1817-H1827 VanDerWaalsContact CD1-CE1 3.44Å; I1817-H1827 WeakPolarHBondContact CD1-CE1 3.4Å; I1817-H1827 VanDerWaalsContact CD1-CG 3.47Å; I1817-H1827 VanDerWaalsContact CD1-ND1 3.35Å; I1817-H1827 WeakPolarHBondContact CD1-ND1 3.35Å; I1817-H1827 WeakPolarHBondContact CD1-NE2 3.3Å; I1817-H1827 HydrophobicContact CG1-CB 4.21Å; I1817-H1827 HydrophobicContact CG2-CB 3.82Å; I1817-H2151 HydrophobicContact CD1-CB 3.11Å; I1817-H2151 HydrophobicContact CG1-CB 4.29Å |
| 1818 | L | 81.5 | Confident | 70.9 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -2.4 | 179.3 | -57.1 | 175.9 | 0 | 0 | 0 | 113.4 | K1816 S1820 Y1824 R2027 K2030 Y2031 C2152 H2154 P2155 | K1816-L1818 VanDerWaalsContact C-N 3.29Å; K1816-L1818 PolarHBondContact O-N 3.09Å; K1816-L1818 VanDerWaalsContact O-N 3.13Å; L1818-S1820 PolarHBondContact O-N 3.24Å; L1818-Y1824 HydrophobicContact CD2-CD2 3.75Å; L1818-Y1824 HydrophobicContact CD2-CE2 3.73Å; L1818-R2027 HydrophobicContact CB-CG 4.24Å; L1818-R2027 HydrophobicContact CD2-CB 4.49Å; L1818-R2027 HydrophobicContact CD2-CG 3.75Å; L1818-R2027 PolarHBondContact O-NH1 3.08Å; L1818-K2030 HydrophobicContact CD1-CB 3.92Å; L1818-K2030 HydrophobicContact CD2-CB 3.97Å; L1818-K2030 HydrophobicContact CD2-CD 4.32Å; L1818-Y2031 HydrophobicContact CB-CD2 3.83Å; L1818-Y2031 HydrophobicContact CB-CG 4.39Å; L1818-C2152 HydrophobicContact CD1-CB 4.17Å; L1818-C2152 WeakPolarHBondContact CD1-O 3.21Å; L1818-C2152 HydrophobicContact CG-CB 4.41Å; L1818-H2154 PolarHBondContact N-CE1 3.4Å; L1818-H2154 VanDerWaalsContact N-CE1 3.28Å; L1818-H2154 PolarHBondContact N-NE2 2.93Å; L1818-P2155 HydrophobicContact CD1-CG 4.04Å |
| 1819 | R | 78.2 | Confident | 72.1 | Confident | 143 Ų | 143 | 56.1 Ų | 56.1 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -70.1 | -38.7 | -176.1 | -171.3 | -178.8 | -176.9 | -179.6 | 1.1 | 113.3 | K1816 I1817 H2193 | K1816-R1819 HydrophobicContact CB-CB 3.81Å; K1816-R1819 HydrophobicContact CB-CG 4.43Å; K1816-R1819 WeakPolarHBondContact O-CB 3.35Å; K1816-R1819 PolarHBondContact O-N 3.18Å; K1816-R1819 VanDerWaalsContact O-N 3.1Å; I1817-R1819 VanDerWaalsContact C-N 3.31Å; I1817-R1819 PolarHBondContact O-N 3.17Å; R1819-H2193 PolarHBondContact O-CE1 3.08Å |
| 1820 | S | 79.3 | Confident | 72.9 | Confident | 50 Ų | 50 | 54.4 Ų | 54.4 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | trans | -141.6 | 154 | -179.1 | 70.3 | 0 | 0 | 0 | 0 | 111.4 | L1818 K1822 A1823 Y1824 | L1818-S1820 PolarHBondContact O-N 3.24Å; S1820-K1822 VanDerWaalsContact C-N 3.27Å; S1820-K1822 PolarHBondContact O-N 3.33Å; S1820-A1823 PolarHBondContact O-N 3.26Å; S1820-A1823 VanDerWaalsContact O-N 3.11Å; S1820-A1823 VanDerWaalsContact OG-CB 3.27Å; S1820-A1823 WeakPolarHBondContact OG-CB 3.32Å; S1820-A1823 PolarHBondContact OG-N 3.06Å; S1820-A1823 VanDerWaalsContact OG-N 3.14Å; S1820-Y1824 WeakPolarHBondContact O-CB 3.46Å; S1820-Y1824 PolarHBondContact O-N 3.15Å | ||
| 1821 | D | 78.6 | Confident | 73.4 | Confident | 101.5 Ų | 101.5 | 54.6 Ų | 54.6 | 54% | 0.543 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -33.8 | 177.3 | -60.7 | -41.2 | 0 | 0 | 0 | 111.5 | Y1824 A1825 R2027 | D1821-Y1824 PolarHBondContact O-N 3.24Å; D1821-A1825 VanDerWaalsContact O-CB 3.26Å; D1821-A1825 WeakPolarHBondContact O-CB 3.38Å; D1821-A1825 PolarHBondContact O-N 3.32Å; D1821-R2027 IonicContact OD1-CZ 3.28Å; D1821-R2027 IonicContact OD1-NE 3.62Å; D1821-R2027 PolarHBondContact OD1-NE 3.17Å; D1821-R2027 IonicContact OD1-NH2 3.19Å; D1821-R2027 PolarHBondContact OD1-NH2 3.16Å; D1821-R2027 IonicContact OD2-NH2 2.9Å |
| 1822 | K | 78.7 | Confident | 73.4 | Confident | 181.5 Ų | 181.5 | 54.6 Ų | 54.6 | 79% | 0.789 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.2 | -46.9 | 174.8 | -88 | -176.2 | 179.6 | -178.4 | 0 | 112 | S1820 Y1824 A1825 S1826 | S1820-K1822 VanDerWaalsContact C-N 3.27Å; S1820-K1822 PolarHBondContact O-N 3.33Å; K1822-Y1824 VanDerWaalsContact C-N 3.33Å; K1822-Y1824 PolarHBondContact O-N 3.37Å; K1822-A1825 PolarHBondContact O-N 2.97Å; K1822-S1826 VanDerWaalsContact O-CB 3.25Å; K1822-S1826 WeakPolarHBondContact O-CB 3.38Å; K1822-S1826 PolarHBondContact O-N 3.15Å; K1822-S1826 VanDerWaalsContact O-N 3.08Å; K1822-S1826 PolarHBondContact O-OG 3.19Å; K1822-S1826 VanDerWaalsContact O-OG 3.12Å |
| 1823 | A | 77.4 | Confident | 73.2 | Confident | 25 Ų | 25 | 54.6 Ų | 54.6 | 21% | 0.207 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1820 S1826 H1827 | S1820-A1823 PolarHBondContact O-N 3.26Å; S1820-A1823 VanDerWaalsContact O-N 3.11Å; S1820-A1823 VanDerWaalsContact OG-CB 3.27Å; S1820-A1823 WeakPolarHBondContact OG-CB 3.32Å; S1820-A1823 PolarHBondContact OG-N 3.06Å; S1820-A1823 VanDerWaalsContact OG-N 3.14Å; A1823-S1826 WeakPolarHBondContact CA-OG 3.35Å; A1823-S1826 PolarHBondContact O-N 3.22Å; A1823-S1826 PolarHBondContact O-OG 3.3Å; A1823-H1827 PolarHBondContact O-N 3.07Å |
| 1824 | Y | 83.2 | Confident | 73.1 | Confident | 8.25 Ų | 8.25 | 52.5 Ų | 52.5 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 176.6 | -171 | -98 | 0 | 0 | 0 | 112 | I1817 L1818 S1820 D1821 K1822 S1826 H1827 H1829 P1849 R2027 K2030 | I1817-Y1824 HydrophobicContact CG2-CD2 3.87Å; I1817-Y1824 HydrophobicContact CG2-CG 4.48Å; I1817-Y1824 WeakPolarHBondContact O-CA 3.45Å; I1817-Y1824 WeakPolarHBondContact O-CB 3.35Å; I1817-Y1824 PolarHBondContact O-N 3.31Å; I1817-Y1824 VanDerWaalsContact O-N 3.16Å; L1818-Y1824 HydrophobicContact CD2-CD2 3.75Å; L1818-Y1824 HydrophobicContact CD2-CE2 3.73Å; S1820-Y1824 WeakPolarHBondContact O-CB 3.46Å; S1820-Y1824 PolarHBondContact O-N 3.15Å; D1821-Y1824 PolarHBondContact O-N 3.24Å; K1822-Y1824 VanDerWaalsContact C-N 3.33Å; K1822-Y1824 PolarHBondContact O-N 3.37Å; Y1824-S1826 VanDerWaalsContact C-N 3.3Å; Y1824-S1826 PolarHBondContact O-N 3.15Å; Y1824-S1826 VanDerWaalsContact O-N 3.16Å; Y1824-H1827 WeakPolarHBondContact O-CB 3.23Å; Y1824-H1827 PolarHBondContact O-N 3.1Å; Y1824-H1827 VanDerWaalsContact O-N 3.17Å; Y1824-H1829 AromaticContact CD1-NE2 3.83Å; Y1824-H1829 AromaticContact CD2-CE1 3.55Å; Y1824-H1829 VanDerWaalsContact CD2-CE1 3.42Å; Y1824-H1829 WeakPolarHBondContact CD2-CE1 3.46Å; Y1824-H1829 AromaticContact CD2-NE2 3.66Å; Y1824-H1829 AromaticContact CE1-CE1 3.92Å; Y1824-H1829 AromaticContact CE1-NE2 3.8Å; Y1824-H1829 AromaticContact CE2-CE1 3.33Å; Y1824-H1829 WeakPolarHBondContact CE2-CE1 3.38Å; Y1824-H1829 AromaticContact CE2-NE2 3.64Å; Y1824-H1829 AromaticContact CG-CE1 3.97Å; Y1824-H1829 AromaticContact CG-NE2 3.76Å; Y1824-H1829 AromaticContact CZ-CE1 3.58Å; Y1824-H1829 VanDerWaalsContact CZ-CE1 3.49Å; Y1824-H1829 AromaticContact CZ-NE2 3.7Å; Y1824-H1829 PolarHBondContact O-CE1 3.4Å; Y1824-H1829 PolarHBondContact O-NE2 2.96Å; Y1824-P1849 HydrophobicContact CE1-CB 4.13Å; Y1824-P1849 VanDerWaalsContact CE1-O 3.26Å; Y1824-P1849 WeakPolarHBondContact CE1-O 3.26Å; Y1824-P1849 WeakPolarHBondContact OH-CB 3.49Å; Y1824-P1849 PolarHBondContact OH-O 3.22Å; Y1824-R2027 HydrophobicContact CD1-CB 4.22Å; Y1824-R2027 HydrophobicContact CD1-CG 4.47Å; Y1824-R2027 HydrophobicContact CD2-CB 4.02Å; Y1824-R2027 HydrophobicContact CD2-CG 3.69Å; Y1824-R2027 HydrophobicContact CE1-CB 4.29Å; Y1824-R2027 HydrophobicContact CE2-CB 4.1Å; Y1824-R2027 HydrophobicContact CE2-CG 4.17Å; Y1824-R2027 HydrophobicContact CG-CB 4.08Å; Y1824-R2027 HydrophobicContact CG-CG 3.88Å; Y1824-K2030 PolarHBondContact OH-NZ 3.17Å |
| 1825 | A | 78.4 | Confident | 72.7 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 50% | 0.504 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -31 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1821 K1822 H1827 | D1821-A1825 VanDerWaalsContact O-CB 3.26Å; D1821-A1825 WeakPolarHBondContact O-CB 3.38Å; D1821-A1825 PolarHBondContact O-N 3.32Å; K1822-A1825 PolarHBondContact O-N 2.97Å; A1825-H1827 VanDerWaalsContact C-N 3.32Å |
| 1826 | S | 72.5 | Confident | 71.8 | Confident | 85.5 Ų | 85.5 | 47.4 Ų | 47.4 | 60% | 0.598 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -78.8 | -12.1 | 177.2 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | K1822 A1823 Y1824 | K1822-S1826 VanDerWaalsContact O-CB 3.25Å; K1822-S1826 WeakPolarHBondContact O-CB 3.38Å; K1822-S1826 PolarHBondContact O-N 3.15Å; K1822-S1826 VanDerWaalsContact O-N 3.08Å; K1822-S1826 PolarHBondContact O-OG 3.19Å; K1822-S1826 VanDerWaalsContact O-OG 3.12Å; A1823-S1826 WeakPolarHBondContact CA-OG 3.35Å; A1823-S1826 PolarHBondContact O-N 3.22Å; A1823-S1826 PolarHBondContact O-OG 3.3Å; Y1824-S1826 VanDerWaalsContact C-N 3.3Å; Y1824-S1826 PolarHBondContact O-N 3.15Å; Y1824-S1826 VanDerWaalsContact O-N 3.16Å |
| 1827 | H | 77.1 | Confident | 70.4 | Confident | 25.5 Ų | 25.5 | 49.7 Ų | 49.7 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -80.7 | 151 | -179.6 | -170.8 | 66.6 | 0 | 0 | 0 | 111.6 | I1817 A1823 Y1824 A1825 H1829 D2149 H2151 | I1817-H1827 HydrophobicContact CD1-CB 4.34Å; I1817-H1827 VanDerWaalsContact CD1-CD2 3.47Å; I1817-H1827 WeakPolarHBondContact CD1-CD2 3.44Å; I1817-H1827 VanDerWaalsContact CD1-CE1 3.44Å; I1817-H1827 WeakPolarHBondContact CD1-CE1 3.4Å; I1817-H1827 VanDerWaalsContact CD1-CG 3.47Å; I1817-H1827 VanDerWaalsContact CD1-ND1 3.35Å; I1817-H1827 WeakPolarHBondContact CD1-ND1 3.35Å; I1817-H1827 WeakPolarHBondContact CD1-NE2 3.3Å; I1817-H1827 HydrophobicContact CG1-CB 4.21Å; I1817-H1827 HydrophobicContact CG2-CB 3.82Å; A1823-H1827 PolarHBondContact O-N 3.07Å; Y1824-H1827 WeakPolarHBondContact O-CB 3.23Å; Y1824-H1827 PolarHBondContact O-N 3.1Å; Y1824-H1827 VanDerWaalsContact O-N 3.17Å; A1825-H1827 VanDerWaalsContact C-N 3.32Å; H1827-H1829 VanDerWaalsContact C-N 3.34Å; H1827-H1829 AromaticContact CD2-CE1 3.93Å; H1827-H1829 AromaticContact CD2-CG 3.94Å; H1827-H1829 PolarHBondContact CD2-N 3.24Å; H1827-H1829 AromaticContact CD2-ND1 3.73Å; H1827-H1829 PolarHBondContact NE2-N 2.9Å; H1827-H1829 PolarHBondContact O-CD2 3.2Å; H1827-H1829 VanDerWaalsContact O-CD2 3.31Å; H1827-H1829 PolarHBondContact O-NE2 3.38Å; H1827-D2149 IonicContact CD2-OD2 3.65Å; H1827-D2149 PolarHBondContact CD2-OD2 3.08Å; H1827-D2149 VanDerWaalsContact CD2-OD2 3.28Å; H1827-D2149 IonicContact NE2-OD1 3.37Å; H1827-D2149 IonicContact NE2-OD2 3.47Å; H1827-D2149 PolarHBondContact NE2-OD2 3.23Å; H1827-D2149 VanDerWaalsContact NE2-OD2 3.15Å; H1827-H2151 AromaticContact CE1-CD2 3.84Å; H1827-H2151 AromaticContact CE1-CG 3.86Å; H1827-H2151 AromaticContact CE1-ND1 3.88Å; H1827-H2151 AromaticContact NE2-CD2 3.8Å; H1827-H2151 AromaticContact NE2-CG 3.97Å; H1827-H2151 AromaticContact NE2-ND1 3.95Å |
| 1828 | H | 71 | Confident | 68.8 | Low | 27.25 Ų | 27.25 | 53.4 Ų | 53.4 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | trans | -80.5 | -20.8 | -174.5 | -0 | 7.3 | 0 | 0 | 0 | 113.8 | I1771 K1775 D1805 W1808 L1809 V1830 H2151 | I1771-H1828 HydrophobicContact CD1-CB 4.16Å; I1771-H1828 HydrophobicContact CG2-CB 4.29Å; I1771-H1828 WeakPolarHBondContact CG2-CE1 3.15Å; I1771-H1828 VanDerWaalsContact CG2-NE2 3.25Å; I1771-H1828 WeakPolarHBondContact CG2-NE2 3.43Å; K1775-H1828 WeakPolarHBondContact CD-NE2 3.49Å; K1775-H1828 WeakPolarHBondContact CE-NE2 3.42Å; K1775-H1828 PolarHBondContact NZ-CD2 2.99Å; K1775-H1828 PolarHBondContact NZ-NE2 3.29Å; D1805-H1828 IonicContact OD2-CD2 3.45Å; D1805-H1828 PolarHBondContact OD2-CD2 3.46Å; W1808-H1828 AromaticContact CE3-CD2 3.75Å; W1808-H1828 HydrophobicContact CZ3-CB 4.4Å; W1808-H1828 AromaticContact CZ3-CD2 3.81Å; L1809-H1828 VanDerWaalsContact CD2-CE1 3.42Å; L1809-H1828 WeakPolarHBondContact CD2-CE1 3.45Å; H1828-V1830 VanDerWaalsContact C-N 3.26Å; H1828-V1830 HydrophobicContact CB-CG2 4.01Å; H1828-V1830 WeakPolarHBondContact ND1-CB 3.09Å; H1828-V1830 WeakPolarHBondContact ND1-CG2 3.16Å; H1828-V1830 PolarHBondContact ND1-N 3.22Å; H1828-V1830 VanDerWaalsContact ND1-N 3.13Å; H1828-V1830 PolarHBondContact O-N 3.35Å; H1828-V1830 VanDerWaalsContact O-N 3.09Å; H1828-H2151 AromaticContact CE1-NE2 3.92Å; H1828-H2151 AromaticContact NE2-NE2 3.85Å | ||
| 1829 | H | 76.7 | Confident | 67.2 | Low | 16.25 Ų | 16.25 | 60.2 Ų | 60.2 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | trans | 53 | 30.1 | -180 | -60.6 | -73.7 | 0 | 0 | 0 | 114 | Y1824 H1827 E1831 I1846 P1849 D2149 | Y1824-H1829 AromaticContact CD1-NE2 3.83Å; Y1824-H1829 AromaticContact CD2-CE1 3.55Å; Y1824-H1829 VanDerWaalsContact CD2-CE1 3.42Å; Y1824-H1829 WeakPolarHBondContact CD2-CE1 3.46Å; Y1824-H1829 AromaticContact CD2-NE2 3.66Å; Y1824-H1829 AromaticContact CE1-CE1 3.92Å; Y1824-H1829 AromaticContact CE1-NE2 3.8Å; Y1824-H1829 AromaticContact CE2-CE1 3.33Å; Y1824-H1829 WeakPolarHBondContact CE2-CE1 3.38Å; Y1824-H1829 AromaticContact CE2-NE2 3.64Å; Y1824-H1829 AromaticContact CG-CE1 3.97Å; Y1824-H1829 AromaticContact CG-NE2 3.76Å; Y1824-H1829 AromaticContact CZ-CE1 3.58Å; Y1824-H1829 VanDerWaalsContact CZ-CE1 3.49Å; Y1824-H1829 AromaticContact CZ-NE2 3.7Å; Y1824-H1829 PolarHBondContact O-CE1 3.4Å; Y1824-H1829 PolarHBondContact O-NE2 2.96Å; H1827-H1829 VanDerWaalsContact C-N 3.34Å; H1827-H1829 AromaticContact CD2-CE1 3.93Å; H1827-H1829 AromaticContact CD2-CG 3.94Å; H1827-H1829 PolarHBondContact CD2-N 3.24Å; H1827-H1829 AromaticContact CD2-ND1 3.73Å; H1827-H1829 PolarHBondContact NE2-N 2.9Å; H1827-H1829 PolarHBondContact O-CD2 3.2Å; H1827-H1829 VanDerWaalsContact O-CD2 3.31Å; H1827-H1829 PolarHBondContact O-NE2 3.38Å; H1829-E1831 PolarHBondContact O-N 3.43Å; H1829-I1846 HydrophobicContact CB-CD1 3.92Å; H1829-I1846 VanDerWaalsContact O-CD1 3.29Å; H1829-I1846 WeakPolarHBondContact O-CD1 3.33Å; H1829-P1849 HydrophobicContact CB-CB 4.22Å; H1829-P1849 HydrophobicContact CB-CG 4.08Å; H1829-P1849 VanDerWaalsContact CD2-CG 3.46Å; H1829-P1849 WeakPolarHBondContact CD2-CG 3.28Å; H1829-P1849 VanDerWaalsContact CG-CB 3.5Å; H1829-D2149 IonicContact ND1-OD2 3Å | ||
| 1830 | V | 70.6 | Confident | 65.8 | Low | 10 Ų | 10 | 55.9 Ų | 55.9 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | trans | -75.7 | 125.7 | 177 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | I1771 W1808 L1809 H1828 N1834 C1835 Y1840 L1844 | I1771-V1830 HydrophobicContact CD1-CG2 4.36Å; W1808-V1830 HydrophobicContact CH2-CG2 4.31Å; W1808-V1830 HydrophobicContact CZ3-CG2 4.37Å; L1809-V1830 HydrophobicContact CD2-CB 4.27Å; L1809-V1830 HydrophobicContact CD2-CG2 4.44Å; H1828-V1830 VanDerWaalsContact C-N 3.26Å; H1828-V1830 HydrophobicContact CB-CG2 4.01Å; H1828-V1830 WeakPolarHBondContact ND1-CB 3.09Å; H1828-V1830 WeakPolarHBondContact ND1-CG2 3.16Å; H1828-V1830 PolarHBondContact ND1-N 3.22Å; H1828-V1830 VanDerWaalsContact ND1-N 3.13Å; H1828-V1830 PolarHBondContact O-N 3.35Å; H1828-V1830 VanDerWaalsContact O-N 3.09Å; V1830-N1834 HydrophobicContact CG1-CB 4.04Å; V1830-C1835 PolarHBondContact O-SG 3.22Å; V1830-C1835 VanDerWaalsContact O-SG 3.38Å; V1830-Y1840 HydrophobicContact CG1-CE1 4.2Å; V1830-Y1840 WeakPolarHBondContact CG1-OH 3.39Å; V1830-L1844 HydrophobicContact CG1-CD1 4.14Å; V1830-L1844 HydrophobicContact CG1-CD2 4.25Å | ||
| 1831 | E | 68.6 | Low | 64.6 | Low | 33.75 Ų | 33.75 | 56.3 Ų | 56.3 | 16% | 0.158 | 30% | 0.302 | C | S | . | . | trans | -58 | 141.9 | 176.6 | -68.7 | 172.8 | 175.4 | 0 | 0 | 112.7 | H1829 I1833 N1834 C1835 I1846 H2146 N2147 | H1829-E1831 PolarHBondContact O-N 3.43Å; E1831-I1833 VanDerWaalsContact C-N 3.31Å; E1831-I1833 HydrophobicContact CB-CG2 4.48Å; E1831-I1833 PolarHBondContact O-N 3.3Å; E1831-N1834 WeakPolarHBondContact O-CA 3.31Å; E1831-N1834 WeakPolarHBondContact O-CB 3.38Å; E1831-N1834 PolarHBondContact O-N 3.06Å; E1831-N1834 VanDerWaalsContact O-N 3.1Å; E1831-N1834 PolarHBondContact OE2-ND2 3.14Å; E1831-N1834 VanDerWaalsContact OE2-ND2 3.09Å; E1831-C1835 PolarHBondContact O-N 3.36Å; E1831-C1835 PolarHBondContact O-SG 3.01Å; E1831-C1835 VanDerWaalsContact O-SG 3.37Å; E1831-I1846 HydrophobicContact CG-CG2 4.38Å; E1831-H2146 VanDerWaalsContact CB-O 3.31Å; E1831-H2146 WeakPolarHBondContact CB-O 3.34Å; E1831-H2146 WeakPolarHBondContact CG-O 3.39Å; E1831-N2147 WeakPolarHBondContact CB-O 3.33Å; E1831-N2147 VanDerWaalsContact CG-O 3.23Å; E1831-N2147 WeakPolarHBondContact CG-O 3.49Å; E1831-N2147 WeakPolarHBondContact OE1-CA 3.43Å; E1831-N2147 PolarHBondContact OE1-OD1 2.93Å | ||
| 1832 | S | 62.8 | Low | 63.7 | Low | 17.75 Ų | 17.75 | 56 Ų | 56 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -61.2 | -32.6 | -172.6 | 39.8 | 0 | 0 | 0 | 0 | 114.5 | N1834 C1835 L2148 V2150 | S1832-N1834 VanDerWaalsContact C-N 3.29Å; S1832-N1834 PolarHBondContact O-N 3.13Å; S1832-C1835 CarbonylContact O-C 3.54Å; S1832-C1835 WeakPolarHBondContact O-CA 3.46Å; S1832-C1835 VanDerWaalsContact O-CB 3.29Å; S1832-C1835 WeakPolarHBondContact O-CB 3.3Å; S1832-C1835 PolarHBondContact O-N 3.11Å; S1832-C1835 VanDerWaalsContact O-N 3.13Å; S1832-L2148 PolarHBondContact N-O 3.3Å; S1832-V2150 VanDerWaalsContact CB-CG2 3.46Å; S1832-V2150 WeakPolarHBondContact OG-CG2 3.24Å; S1832-V2150 PolarHBondContact OG-N 3.32Å |
| 1833 | I | 59.5 | Low | 62.8 | Low | 74.75 Ų | 74.75 | 51.8 Ų | 51.8 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -67.4 | -28.9 | 177 | -164.9 | 163.4 | 0 | 0 | 0 | 112.5 | E1831 C1835 F1837 H2146 N2147 | E1831-I1833 VanDerWaalsContact C-N 3.31Å; E1831-I1833 HydrophobicContact CB-CG2 4.48Å; E1831-I1833 PolarHBondContact O-N 3.3Å; I1833-C1835 VanDerWaalsContact C-N 3.35Å; I1833-C1835 PolarHBondContact O-N 2.86Å; I1833-F1837 HydrophobicContact CG1-CE2 4.5Å; I1833-F1837 WeakPolarHBondContact O-CD2 3.4Å; I1833-F1837 WeakPolarHBondContact O-CE2 3.35Å; I1833-H2146 WeakPolarHBondContact CD1-CE1 3.31Å; I1833-H2146 WeakPolarHBondContact CD1-ND1 3.3Å; I1833-H2146 HydrophobicContact CG2-CB 3.99Å; I1833-N2147 HydrophobicContact CB-CB 3.73Å; I1833-N2147 VanDerWaalsContact CD1-ND2 3.35Å; I1833-N2147 WeakPolarHBondContact CD1-ND2 3.32Å; I1833-N2147 HydrophobicContact CG2-CB 3.62Å |
| 1834 | N | 57.6 | Low | 62.4 | Low | 32.75 Ų | 32.75 | 51.1 Ų | 51.1 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -80.6 | -17.3 | 177.3 | -60.7 | -40.8 | 0 | 0 | 0 | 111.3 | V1830 E1831 S1832 G1836 F1837 Y1840 L1844 | V1830-N1834 HydrophobicContact CG1-CB 4.04Å; E1831-N1834 WeakPolarHBondContact O-CA 3.31Å; E1831-N1834 WeakPolarHBondContact O-CB 3.38Å; E1831-N1834 PolarHBondContact O-N 3.06Å; E1831-N1834 VanDerWaalsContact O-N 3.1Å; E1831-N1834 PolarHBondContact OE2-ND2 3.14Å; E1831-N1834 VanDerWaalsContact OE2-ND2 3.09Å; S1832-N1834 VanDerWaalsContact C-N 3.29Å; S1832-N1834 PolarHBondContact O-N 3.13Å; N1834-G1836 VanDerWaalsContact C-N 3.32Å; N1834-G1836 PolarHBondContact O-N 3.04Å; N1834-F1837 HydrophobicContact CB-CE2 4.27Å; N1834-Y1840 HydrophobicContact CB-CD1 4.08Å; N1834-Y1840 HydrophobicContact CB-CE1 3.38Å; N1834-Y1840 VanDerWaalsContact O-CE1 3.23Å; N1834-Y1840 WeakPolarHBondContact O-CE1 3.29Å; N1834-Y1840 WeakPolarHBondContact O-CE2 3.44Å; N1834-Y1840 PolarHBondContact O-OH 2.98Å; N1834-Y1840 VanDerWaalsContact O-OH 3.08Å; N1834-L1844 HydrophobicContact CB-CD1 4.39Å; N1834-L1844 HydrophobicContact CB-CD2 3.97Å |
| 1835 | C | 54.7 | Low | 61.6 | Low | 9.25 Ų | 9.25 | 55.4 Ų | 55.4 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -81.1 | 63.4 | 176.1 | -61 | 0 | 0 | 0 | 0 | 111.3 | L1809 L1810 V1830 E1831 S1832 I1833 Y1840 W2233 I2234 | L1809-C1835 HydrophobicContact CD1-CB 4.12Å; L1809-C1835 HydrophobicContact CD2-CB 4.15Å; L1809-C1835 WeakPolarHBondContact CD2-SG 3.15Å; L1810-C1835 HydrophobicContact CD1-CB 3.84Å; L1810-C1835 HydrophobicContact CD2-CB 4.02Å; V1830-C1835 PolarHBondContact O-SG 3.22Å; V1830-C1835 VanDerWaalsContact O-SG 3.38Å; E1831-C1835 PolarHBondContact O-N 3.36Å; E1831-C1835 PolarHBondContact O-SG 3.01Å; E1831-C1835 VanDerWaalsContact O-SG 3.37Å; S1832-C1835 CarbonylContact O-C 3.54Å; S1832-C1835 WeakPolarHBondContact O-CA 3.46Å; S1832-C1835 VanDerWaalsContact O-CB 3.29Å; S1832-C1835 WeakPolarHBondContact O-CB 3.3Å; S1832-C1835 PolarHBondContact O-N 3.11Å; S1832-C1835 VanDerWaalsContact O-N 3.13Å; I1833-C1835 VanDerWaalsContact C-N 3.35Å; I1833-C1835 PolarHBondContact O-N 2.86Å; C1835-Y1840 VanDerWaalsContact CA-OH 3.24Å; C1835-Y1840 WeakPolarHBondContact CA-OH 3.27Å; C1835-Y1840 PolarHBondContact N-OH 2.86Å; C1835-Y1840 PolarHBondContact SG-OH 2.65Å; C1835-W2233 HydrophobicContact CB-CH2 4.31Å; C1835-W2233 HydrophobicContact CB-CZ2 3.58Å; C1835-W2233 WeakPolarHBondContact O-CZ2 3.23Å; C1835-W2233 PolarHBondContact O-NE1 3.18Å; C1835-I2234 HydrophobicContact CB-CD1 4.11Å; C1835-I2234 HydrophobicContact CB-CG1 4.38Å |
| 1836 | G | 48.1 | Very low | 61.3 | Low | 35.5 Ų | 35.5 | 52.9 Ų | 52.9 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -178.1 | -20.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | N1806 N1834 I1838 | N1806-G1836 PolarHBondContact ND2-O 3Å; N1806-G1836 VanDerWaalsContact ND2-O 3.16Å; N1834-G1836 VanDerWaalsContact C-N 3.32Å; N1834-G1836 PolarHBondContact O-N 3.04Å; G1836-I1838 PolarHBondContact O-N 2.86Å |
| 1837 | F | 44.7 | Very low | 61.5 | Low | 99 Ų | 99 | 51.4 Ų | 51.4 | 43% | 0.434 | 26% | 0.256 | S | S | . | . | trans | -75.8 | 129.5 | 176.9 | -70 | -79.5 | 0 | 0 | 0 | 112.2 | A1800 I1833 N1834 Y1839 P1841 L2287 Y2290 Y2323 | A1800-F1837 CarbonylContact C-O 3.53Å; A1800-F1837 WeakPolarHBondContact CA-O 3.42Å; A1800-F1837 WeakPolarHBondContact CB-O 3.44Å; I1833-F1837 HydrophobicContact CG1-CE2 4.5Å; I1833-F1837 WeakPolarHBondContact O-CD2 3.4Å; I1833-F1837 WeakPolarHBondContact O-CE2 3.35Å; N1834-F1837 HydrophobicContact CB-CE2 4.27Å; F1837-Y1839 VanDerWaalsContact C-N 3.31Å; F1837-Y1839 VanDerWaalsContact CB-O 3.3Å; F1837-Y1839 WeakPolarHBondContact CB-O 3.41Å; F1837-Y1839 PolarHBondContact O-N 3.22Å; F1837-Y1839 VanDerWaalsContact O-N 3.08Å; F1837-P1841 HydrophobicContact CE2-CG 4.45Å; F1837-L2287 HydrophobicContact CE1-CD1 3.64Å; F1837-L2287 HydrophobicContact CZ-CD1 3.79Å; F1837-Y2290 HydrophobicContact CD2-CD2 4.1Å; F1837-Y2290 HydrophobicContact CD2-CE2 4.11Å; F1837-Y2290 HydrophobicContact CD2-CG 4.46Å; F1837-Y2290 AromaticContact CE2-CD2 3.91Å; F1837-Y2290 HydrophobicContact CE2-CD2 3.91Å; F1837-Y2290 HydrophobicContact CE2-CE2 4.03Å; F1837-Y2323 HydrophobicContact CZ-CE2 4.2Å | ||
| 1838 | I | 44.8 | Very low | 61.5 | Low | 82.75 Ų | 82.75 | 51.7 Ų | 51.7 | 42% | 0.424 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -68.4 | -16 | 176.9 | -62.1 | 168.8 | 0 | 0 | 0 | 110.8 | V1799 A1800 G1801 G1836 Y1840 N2294 | V1799-I1838 CarbonylContact C-O 3.45Å; V1799-I1838 WeakPolarHBondContact CA-O 3.46Å; V1799-I1838 HydrophobicContact CG1-CG2 3.76Å; V1799-I1838 WeakPolarHBondContact CG1-O 3.48Å; A1800-I1838 HydrophobicContact CB-CB 4.35Å; A1800-I1838 HydrophobicContact CB-CG1 4.26Å; A1800-I1838 HydrophobicContact CB-CG2 3.66Å; A1800-I1838 VanDerWaalsContact N-C 3.31Å; A1800-I1838 PolarHBondContact N-O 2.85Å; G1801-I1838 WeakPolarHBondContact CA-O 3.35Å; G1801-I1838 PolarHBondContact N-O 3.06Å; G1836-I1838 PolarHBondContact O-N 2.86Å; I1838-Y1840 PolarHBondContact O-N 2.75Å; I1838-N2294 WeakPolarHBondContact CD1-ND2 3.47Å |
| 1839 | Y | 47.7 | Very low | 61.8 | Low | 144.75 Ų | 144.75 | 51.5 Ų | 51.5 | 57% | 0.568 | 26% | 0.259 | S | S | * | . | trans | -105.2 | 112.5 | 175.1 | -61 | -80.5 | 0 | 0 | 0 | 109.4 | P1797 I1798 V1799 F1837 P1841 I2299 | P1797-Y1839 HydrophobicContact CB-CD1 4Å; P1797-Y1839 HydrophobicContact CB-CE1 4Å; P1797-Y1839 HydrophobicContact CG-CE1 4.23Å; I1798-Y1839 HydrophobicContact CG2-CD1 4.49Å; I1798-Y1839 HydrophobicContact CG2-CE1 4.02Å; V1799-Y1839 HydrophobicContact CB-CE1 4.4Å; V1799-Y1839 HydrophobicContact CG2-CD1 4.3Å; V1799-Y1839 HydrophobicContact CG2-CE1 3.7Å; F1837-Y1839 VanDerWaalsContact C-N 3.31Å; F1837-Y1839 VanDerWaalsContact CB-O 3.3Å; F1837-Y1839 WeakPolarHBondContact CB-O 3.41Å; F1837-Y1839 PolarHBondContact O-N 3.22Å; F1837-Y1839 VanDerWaalsContact O-N 3.08Å; Y1839-P1841 WeakPolarHBondContact O-CD 3.34Å; Y1839-I2299 HydrophobicContact CE1-CD1 3.66Å; Y1839-I2299 HydrophobicContact CE1-CG1 4.25Å; Y1839-I2299 WeakPolarHBondContact OH-CD1 3.3Å; Y1839-I2299 WeakPolarHBondContact OH-CG1 3.42Å | ||
| 1840 | Y | 49.2 | Very low | 61.9 | Low | 51 Ų | 51 | 54.7 Ų | 54.7 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | trans | -63.8 | 128.6 | 165.3 | -81.1 | -68.2 | 0 | 0 | 0 | 108.8 | P1768 C1772 I1798 A1800 R1803 N1806 L1809 V1830 N1834 C1835 I1838 L1844 | P1768-Y1840 HydrophobicContact CB-CD1 3.92Å; P1768-Y1840 HydrophobicContact CB-CD2 4.31Å; P1768-Y1840 HydrophobicContact CB-CE1 4.24Å; P1768-Y1840 HydrophobicContact CB-CG 3.96Å; P1768-Y1840 HydrophobicContact CG-CD1 4.08Å; P1768-Y1840 HydrophobicContact CG-CE1 4.42Å; P1768-Y1840 HydrophobicContact CG-CG 4.1Å; C1772-Y1840 WeakPolarHBondContact SG-CE2 3.27Å; I1798-Y1840 HydrophobicContact CG2-CD2 4.17Å; A1800-Y1840 HydrophobicContact CB-CD1 4.48Å; A1800-Y1840 HydrophobicContact CB-CD2 3.85Å; A1800-Y1840 HydrophobicContact CB-CE1 4.33Å; A1800-Y1840 HydrophobicContact CB-CE2 3.69Å; A1800-Y1840 HydrophobicContact CB-CG 4.24Å; R1803-Y1840 VanDerWaalsContact CZ-OH 3.28Å; R1803-Y1840 PolarHBondContact NE-OH 3.38Å; R1803-Y1840 PolarHBondContact NH2-OH 2.87Å; N1806-Y1840 VanDerWaalsContact CG-OH 3.26Å; N1806-Y1840 PolarHBondContact ND2-OH 3.31Å; N1806-Y1840 VanDerWaalsContact ND2-OH 3.07Å; N1806-Y1840 PolarHBondContact OD1-OH 2.77Å; L1809-Y1840 HydrophobicContact CD1-CE2 4.26Å; L1809-Y1840 VanDerWaalsContact CD1-OH 3.31Å; L1809-Y1840 WeakPolarHBondContact CD1-OH 3.28Å; V1830-Y1840 HydrophobicContact CG1-CE1 4.2Å; V1830-Y1840 WeakPolarHBondContact CG1-OH 3.39Å; N1834-Y1840 HydrophobicContact CB-CD1 4.08Å; N1834-Y1840 HydrophobicContact CB-CE1 3.38Å; N1834-Y1840 VanDerWaalsContact O-CE1 3.23Å; N1834-Y1840 WeakPolarHBondContact O-CE1 3.29Å; N1834-Y1840 WeakPolarHBondContact O-CE2 3.44Å; N1834-Y1840 PolarHBondContact O-OH 2.98Å; N1834-Y1840 VanDerWaalsContact O-OH 3.08Å; C1835-Y1840 VanDerWaalsContact CA-OH 3.24Å; C1835-Y1840 WeakPolarHBondContact CA-OH 3.27Å; C1835-Y1840 PolarHBondContact N-OH 2.86Å; C1835-Y1840 PolarHBondContact SG-OH 2.65Å; I1838-Y1840 PolarHBondContact O-N 2.75Å; Y1840-L1844 HydrophobicContact CD1-CD1 3.94Å; Y1840-L1844 HydrophobicContact CD1-CD2 3.91Å; Y1840-L1844 HydrophobicContact CD1-CG 3.99Å; Y1840-L1844 HydrophobicContact CE1-CD1 4.11Å; Y1840-L1844 HydrophobicContact CE1-CD2 4.3Å; Y1840-L1844 HydrophobicContact CE1-CG 4.35Å | ||
| 1841 | P | 54.5 | Low | 62.2 | Low | 60.25 Ų | 60.25 | 56.4 Ų | 56.4 | 39% | 0.391 | 29% | 0.287 | S | S | . | . | trans | -57.8 | 146.9 | 163.3 | 26.3 | -32.2 | 0 | 0 | 0 | 108.5 | P1768 F1837 Y1839 H1843 L1844 | P1768-P1841 WeakPolarHBondContact CD-O 3.14Å; P1768-P1841 WeakPolarHBondContact CG-O 3.44Å; F1837-P1841 HydrophobicContact CE2-CG 4.45Å; Y1839-P1841 WeakPolarHBondContact O-CD 3.34Å; P1841-H1843 WeakPolarHBondContact CG-O 3.47Å; P1841-H1843 PolarHBondContact O-N 3.13Å; P1841-L1844 HydrophobicContact CG-CD2 3.67Å; P1841-L1844 HydrophobicContact CG-CG 4.07Å | ||
| 1842 | T | 58.6 | Low | 62.7 | Low | 93.25 Ų | 93.25 | 60.1 Ų | 60.1 | 57% | 0.572 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -57.5 | -24.4 | -179.6 | 49 | 0 | 0 | 0 | 0 | 112.9 | N1767 I1769 | N1767-T1842 PolarHBondContact OD1-O 3.17Å; I1769-T1842 HydrophobicContact CD1-CG2 4.44Å |
| 1843 | H | 61.7 | Low | 63.5 | Low | 93.25 Ų | 93.25 | 60.3 Ų | 60.3 | 43% | 0.432 | 31% | 0.311 | S | S | . | . | trans | -138.2 | 129.7 | 179.6 | -58.5 | 82.3 | 0 | 0 | 0 | 109.3 | C1765 N1767 P1841 Y1845 | C1765-H1843 VanDerWaalsContact SG-CD2 3.57Å; N1767-H1843 PolarHBondContact OD1-CD2 3.22Å; P1841-H1843 WeakPolarHBondContact CG-O 3.47Å; P1841-H1843 PolarHBondContact O-N 3.13Å; H1843-Y1845 HydrophobicContact CB-CE2 4.28Å | ||
| 1844 | L | 67.1 | Low | 64.5 | Low | 11.25 Ų | 11.25 | 58.5 Ų | 58.5 | 6% | 0.059 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 140.5 | 171.9 | -93.5 | 151.3 | 0 | 0 | 0 | 109.6 | C1765 I1766 P1768 V1830 N1834 Y1840 P1841 I1846 | C1765-L1844 CarbonylContact C-O 3.52Å; C1765-L1844 VanDerWaalsContact CA-O 3.27Å; C1765-L1844 WeakPolarHBondContact CA-O 3.32Å; I1766-L1844 HydrophobicContact CB-CB 4.45Å; I1766-L1844 PolarHBondContact N-O 2.85Å; I1766-L1844 PolarHBondContact O-N 3.2Å; P1768-L1844 HydrophobicContact CB-CD1 4.05Å; P1768-L1844 HydrophobicContact CG-CB 3.89Å; P1768-L1844 HydrophobicContact CG-CD1 3.69Å; P1768-L1844 HydrophobicContact CG-CD2 4.5Å; P1768-L1844 HydrophobicContact CG-CG 3.96Å; V1830-L1844 HydrophobicContact CG1-CD1 4.14Å; V1830-L1844 HydrophobicContact CG1-CD2 4.25Å; N1834-L1844 HydrophobicContact CB-CD1 4.39Å; N1834-L1844 HydrophobicContact CB-CD2 3.97Å; Y1840-L1844 HydrophobicContact CD1-CD1 3.94Å; Y1840-L1844 HydrophobicContact CD1-CD2 3.91Å; Y1840-L1844 HydrophobicContact CD1-CG 3.99Å; Y1840-L1844 HydrophobicContact CE1-CD1 4.11Å; Y1840-L1844 HydrophobicContact CE1-CD2 4.3Å; Y1840-L1844 HydrophobicContact CE1-CG 4.35Å; P1841-L1844 HydrophobicContact CG-CD2 3.67Å; P1841-L1844 HydrophobicContact CG-CG 4.07Å; L1844-I1846 HydrophobicContact CD2-CG2 3.88Å; L1844-I1846 HydrophobicContact CG-CG2 4.01Å |
| 1845 | Y | 68 | Low | 65.9 | Low | 99 Ų | 99 | 59 Ų | 59 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 106.7 | 177.7 | -68.5 | -91.6 | 0 | 0 | 0 | 110.1 | L1707 K1764 C1765 H1843 | L1707-Y1845 WeakPolarHBondContact CA-OH 3.3Å; L1707-Y1845 WeakPolarHBondContact CB-OH 3.4Å; L1707-Y1845 HydrophobicContact CD2-CE2 4.4Å; L1707-Y1845 VanDerWaalsContact CD2-OH 3.3Å; L1707-Y1845 WeakPolarHBondContact CD2-OH 3.22Å; L1707-Y1845 VanDerWaalsContact O-CE1 3.31Å; L1707-Y1845 WeakPolarHBondContact O-CE1 3.42Å; L1707-Y1845 PolarHBondContact O-OH 2.68Å; K1764-Y1845 WeakPolarHBondContact O-CA 3.26Å; C1765-Y1845 HydrophobicContact CB-CD1 3.97Å; C1765-Y1845 HydrophobicContact CB-CE1 3.64Å; H1843-Y1845 HydrophobicContact CB-CE2 4.28Å |
| 1846 | I | 72.3 | Confident | 67.2 | Low | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 155.8 | 176.7 | 69 | 164.4 | 0 | 0 | 0 | 110.5 | R1763 K1764 I1766 H1829 E1831 L1844 D1848 | R1763-I1846 CarbonylContact C-O 3.51Å; R1763-I1846 WeakPolarHBondContact CA-O 3.34Å; R1763-I1846 WeakPolarHBondContact CB-O 3.3Å; K1764-I1846 HydrophobicContact CG-CG1 3.91Å; K1764-I1846 PolarHBondContact N-O 3.35Å; K1764-I1846 PolarHBondContact O-N 2.98Å; K1764-I1846 VanDerWaalsContact O-N 3.11Å; I1766-I1846 HydrophobicContact CD1-CD1 3.28Å; I1766-I1846 HydrophobicContact CD1-CG1 3.49Å; I1766-I1846 VanDerWaalsContact CD1-CG1 3.47Å; I1766-I1846 HydrophobicContact CG1-CD1 4.44Å; I1766-I1846 HydrophobicContact CG1-CG1 4.17Å; H1829-I1846 HydrophobicContact CB-CD1 3.92Å; H1829-I1846 VanDerWaalsContact O-CD1 3.29Å; H1829-I1846 WeakPolarHBondContact O-CD1 3.33Å; E1831-I1846 HydrophobicContact CG-CG2 4.38Å; L1844-I1846 HydrophobicContact CD2-CG2 3.88Å; L1844-I1846 HydrophobicContact CG-CG2 4.01Å; I1846-D1848 PolarHBondContact O-N 2.95Å |
| 1847 | Y | 75.9 | Confident | 68.7 | Low | 54.5 Ų | 54.5 | 59.6 Ų | 59.6 | 21% | 0.214 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 138.3 | 167.6 | -68.8 | -61.6 | 0 | 0 | 0 | 110.3 | I1760 P1761 R1763 P1849 L2024 | I1760-Y1847 HydrophobicContact CG2-CD1 4.27Å; I1760-Y1847 HydrophobicContact CG2-CE1 3.45Å; I1760-Y1847 VanDerWaalsContact CG2-CE1 3.45Å; P1761-Y1847 HydrophobicContact CB-CD1 4.24Å; P1761-Y1847 HydrophobicContact CG-CD1 3.83Å; P1761-Y1847 HydrophobicContact CG-CG 4.08Å; P1761-Y1847 VanDerWaalsContact O-CD1 3.26Å; P1761-Y1847 WeakPolarHBondContact O-CD1 3.29Å; P1761-Y1847 WeakPolarHBondContact O-CE1 3.43Å; R1763-Y1847 HydrophobicContact CG-CD1 3.84Å; R1763-Y1847 HydrophobicContact CG-CE1 3.86Å; R1763-Y1847 HydrophobicContact CG-CG 4.38Å; R1763-Y1847 PolarHBondContact NE-OH 3.01Å; R1763-Y1847 PolarHBondContact NH2-OH 3.02Å; R1763-Y1847 VanDerWaalsContact NH2-OH 3.14Å; Y1847-P1849 WeakPolarHBondContact O-CD 3.37Å; Y1847-P1849 VanDerWaalsContact O-N 3.13Å; Y1847-L2024 HydrophobicContact CD1-CD2 4.34Å; Y1847-L2024 HydrophobicContact CD2-CD2 3.82Å; Y1847-L2024 HydrophobicContact CE2-CD2 4.24Å; Y1847-L2024 HydrophobicContact CG-CD2 3.96Å |
| 1848 | D | 76.5 | Confident | 70.3 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 17% | 0.166 | 29% | 0.285 | C | S | . | . | trans | -63 | 111.1 | 177.8 | -173.8 | 0.2 | 0 | 0 | 0 | 110.6 | S1762 K1764 I1846 N1850 V1851 | S1762-D1848 PolarHBondContact O-N 3.19Å; S1762-D1848 VanDerWaalsContact O-N 3.11Å; K1764-D1848 HydrophobicContact CB-CB 4.49Å; K1764-D1848 HydrophobicContact CD-CB 4.04Å; K1764-D1848 WeakPolarHBondContact CE-OD1 3.5Å; K1764-D1848 WeakPolarHBondContact CE-OD2 3.24Å; K1764-D1848 HydrophobicContact CG-CB 4.26Å; K1764-D1848 IonicContact NZ-OD1 3.84Å; K1764-D1848 PolarHBondContact NZ-OD1 3.11Å; K1764-D1848 IonicContact NZ-OD2 3.5Å; K1764-D1848 PolarHBondContact NZ-OD2 3.14Å; I1846-D1848 PolarHBondContact O-N 2.95Å; D1848-N1850 PolarHBondContact O-N 3.15Å; D1848-N1850 PolarHBondContact OD1-N 3.18Å; D1848-N1850 VanDerWaalsContact OD1-N 3.1Å; D1848-V1851 HydrophobicContact CB-CB 4.43Å; D1848-V1851 HydrophobicContact CB-CG2 3.63Å; D1848-V1851 PolarHBondContact O-N 3.13Å; D1848-V1851 VanDerWaalsContact OD2-CG2 3.26Å; D1848-V1851 WeakPolarHBondContact OD2-CG2 3.18Å | ||
| 1849 | P | 77.1 | Confident | 71.7 | Confident | 22.75 Ų | 22.75 | 54.4 Ų | 54.4 | 15% | 0.148 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.8 | -174.4 | 30 | -36.1 | 0 | 0 | 0 | 112.8 | Y1824 H1829 Y1847 | Y1824-P1849 HydrophobicContact CE1-CB 4.13Å; Y1824-P1849 VanDerWaalsContact CE1-O 3.26Å; Y1824-P1849 WeakPolarHBondContact CE1-O 3.26Å; Y1824-P1849 WeakPolarHBondContact OH-CB 3.49Å; Y1824-P1849 PolarHBondContact OH-O 3.22Å; H1829-P1849 HydrophobicContact CB-CB 4.22Å; H1829-P1849 HydrophobicContact CB-CG 4.08Å; H1829-P1849 VanDerWaalsContact CD2-CG 3.46Å; H1829-P1849 WeakPolarHBondContact CD2-CG 3.28Å; H1829-P1849 VanDerWaalsContact CG-CB 3.5Å; Y1847-P1849 WeakPolarHBondContact O-CD 3.37Å; Y1847-P1849 VanDerWaalsContact O-N 3.13Å |
| 1850 | N | 78.6 | Confident | 72.7 | Confident | 85 Ų | 85 | 57.4 Ų | 57.4 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -5.5 | -176.8 | -64.6 | -35.9 | 0 | 0 | 0 | 113.2 | D1848 V1852 | D1848-N1850 PolarHBondContact O-N 3.15Å; D1848-N1850 PolarHBondContact OD1-N 3.18Å; D1848-N1850 VanDerWaalsContact OD1-N 3.1Å; N1850-V1852 PolarHBondContact O-N 3.09Å |
| 1851 | V | 78.6 | Confident | 73.6 | Confident | 44.75 Ų | 44.75 | 60.7 Ų | 60.7 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | trans | -69.5 | 124.7 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 109.7 | P1761 D1848 L1853 | P1761-V1851 HydrophobicContact CB-CB 4.23Å; P1761-V1851 HydrophobicContact CB-CG1 4.2Å; P1761-V1851 HydrophobicContact CB-CG2 4.47Å; D1848-V1851 HydrophobicContact CB-CB 4.43Å; D1848-V1851 HydrophobicContact CB-CG2 3.63Å; D1848-V1851 PolarHBondContact O-N 3.13Å; D1848-V1851 VanDerWaalsContact OD2-CG2 3.26Å; D1848-V1851 WeakPolarHBondContact OD2-CG2 3.18Å; V1851-L1853 HydrophobicContact CG1-CD2 3.95Å; V1851-L1853 HydrophobicContact CG1-CG 4.15Å | ||
| 1852 | V | 78.2 | Confident | 74.1 | Confident | 112 Ų | 112 | 57.8 Ų | 57.8 | 68% | 0.679 | 30% | 0.296 | S | S | * | . | trans | -98 | 108.3 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | N1850 | N1850-V1852 PolarHBondContact O-N 3.09Š| ||
| 1853 | L | 80.6 | Confident | 74.8 | Confident | 21.5 Ų | 21.5 | 59.1 Ų | 59.1 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | trans | -75.9 | 133.5 | 178.4 | -65 | 168.1 | 0 | 0 | 0 | 110.5 | R1759 P1761 V1851 Y1855 L2024 | R1759-L1853 WeakPolarHBondContact O-CD1 3.36Å; P1761-L1853 HydrophobicContact CG-CD1 4.22Å; V1851-L1853 HydrophobicContact CG1-CD2 3.95Å; V1851-L1853 HydrophobicContact CG1-CG 4.15Å; L1853-Y1855 HydrophobicContact CB-CE1 4.43Å; L1853-Y1855 HydrophobicContact CB-CE2 3.97Å; L1853-Y1855 WeakPolarHBondContact CD1-OH 3.3Å; L1853-Y1855 VanDerWaalsContact O-CD2 3.28Å; L1853-Y1855 WeakPolarHBondContact O-CD2 3.33Å; L1853-Y1855 WeakPolarHBondContact O-CE2 3.29Å; L1853-L2024 HydrophobicContact CD1-CB 4.47Å | ||
| 1854 | P | 80.2 | Confident | 75.3 | Confident | 37.75 Ų | 37.75 | 56.8 Ų | 56.8 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | trans | -77.6 | 131.8 | 177 | 31.2 | -34 | 0 | 0 | 0 | 110.9 | R1759 S1898 W1900 | R1759-P1854 PolarHBondContact NE-O 3.13Å; R1759-P1854 VanDerWaalsContact NE-O 3.12Å; R1759-P1854 PolarHBondContact NH2-O 3.16Å; R1759-P1854 VanDerWaalsContact NH2-O 3.09Å; P1854-S1898 WeakPolarHBondContact CB-O 3.42Å; P1854-W1900 HydrophobicContact CB-CB 4.09Å; P1854-W1900 HydrophobicContact CG-CB 4.48Å | ||
| 1855 | Y | 85.8 | Confident | 75.3 | Confident | 41.5 Ų | 41.5 | 59.9 Ų | 59.9 | 16% | 0.163 | 30% | 0.302 | C | S | . | . | trans | -124.2 | 153.9 | -179.4 | -66 | -62.7 | 0 | 0 | 0 | 110.7 | L1853 T1857 L1970 F1972 G1973 | L1853-Y1855 HydrophobicContact CB-CE1 4.43Å; L1853-Y1855 HydrophobicContact CB-CE2 3.97Å; L1853-Y1855 WeakPolarHBondContact CD1-OH 3.3Å; L1853-Y1855 VanDerWaalsContact O-CD2 3.28Å; L1853-Y1855 WeakPolarHBondContact O-CD2 3.33Å; L1853-Y1855 WeakPolarHBondContact O-CE2 3.29Å; Y1855-T1857 PolarHBondContact O-N 3.07Å; Y1855-L1970 WeakPolarHBondContact CE1-O 3.5Å; Y1855-F1972 WeakPolarHBondContact CB-O 3.11Å; Y1855-F1972 VanDerWaalsContact CD1-C 3.48Å; Y1855-G1973 VanDerWaalsContact CD1-N 3.27Å | ||
| 1856 | P | 83.2 | Confident | 74.8 | Confident | 8.5 Ų | 8.5 | 59.6 Ų | 59.6 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | trans | -60.9 | 134.8 | 178.1 | 25.7 | -34.6 | 0 | 0 | 0 | 111.2 | F1858 L1864 W1900 A1922 F1972 | P1856-F1858 HydrophobicContact CB-CE2 4.11Å; P1856-F1858 HydrophobicContact CB-CZ 4.3Å; P1856-F1858 HydrophobicContact CG-CE2 4.37Å; P1856-L1864 HydrophobicContact CB-CD2 3.89Å; P1856-W1900 HydrophobicContact CB-CD2 4.08Å; P1856-W1900 HydrophobicContact CB-CE3 4.29Å; P1856-W1900 HydrophobicContact CB-CG 4.44Å; P1856-W1900 HydrophobicContact CB-CH2 4.42Å; P1856-W1900 HydrophobicContact CB-CZ2 4.18Å; P1856-W1900 HydrophobicContact CG-CD2 4.5Å; P1856-W1900 HydrophobicContact CG-CE3 4.42Å; P1856-A1922 HydrophobicContact CB-CB 4.46Å; P1856-A1922 HydrophobicContact CG-CB 4.44Å; P1856-F1972 HydrophobicContact CG-CB 4.21Å; P1856-F1972 HydrophobicContact CG-CD1 4.03Å | ||
| 1857 | T | 78.7 | Confident | 73.5 | Confident | 49.75 Ų | 49.75 | 64.1 Ų | 64.1 | 31% | 0.305 | 33% | 0.331 | S | S | . | . | trans | -113.8 | 141.6 | 173.7 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | Y1855 L1864 I1865 | Y1855-T1857 PolarHBondContact O-N 3.07Å; T1857-L1864 WeakPolarHBondContact O-CA 3.38Å; T1857-I1865 PolarHBondContact O-N 3.38Å | ||
| 1858 | F | 78.8 | Confident | 71.6 | Confident | 21.5 Ų | 21.5 | 70.5 Ų | 70.5 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -117.6 | 145.2 | -176.8 | -60.3 | -92.9 | 0 | 0 | 0 | 110.2 | P1856 G1862 Q1863 L1864 I1865 A1922 C1926 N1976 | P1856-F1858 HydrophobicContact CB-CE2 4.11Å; P1856-F1858 HydrophobicContact CB-CZ 4.3Å; P1856-F1858 HydrophobicContact CG-CE2 4.37Å; F1858-G1862 WeakPolarHBondContact CD1-O 3.45Å; F1858-Q1863 CarbonylContact C-O 3.45Å; F1858-Q1863 VanDerWaalsContact CA-O 3.26Å; F1858-Q1863 WeakPolarHBondContact CA-O 3.3Å; F1858-L1864 HydrophobicContact CD1-CB 4.42Å; F1858-L1864 HydrophobicContact CD1-CD2 3.9Å; F1858-L1864 HydrophobicContact CD1-CG 4.18Å; F1858-L1864 HydrophobicContact CE1-CB 4.36Å; F1858-L1864 HydrophobicContact CE1-CD1 3.83Å; F1858-L1864 HydrophobicContact CE1-CD2 3.43Å; F1858-L1864 VanDerWaalsContact CE1-CD2 3.41Å; F1858-L1864 HydrophobicContact CE1-CG 3.82Å; F1858-L1864 HydrophobicContact CE2-CD2 4.33Å; F1858-L1864 HydrophobicContact CG-CD2 4.48Å; F1858-L1864 HydrophobicContact CZ-CD1 4.15Å; F1858-L1864 HydrophobicContact CZ-CD2 3.69Å; F1858-L1864 HydrophobicContact CZ-CG 4.44Å; F1858-I1865 WeakPolarHBondContact O-CD1 3.45Å; F1858-A1922 HydrophobicContact CZ-CB 4.17Å; F1858-A1922 WeakPolarHBondContact CZ-O 3.36Å; F1858-C1926 HydrophobicContact CE2-CB 4.32Å; F1858-C1926 WeakPolarHBondContact CE2-O 3.06Å; F1858-C1926 HydrophobicContact CZ-CB 4.38Å; F1858-N1976 WeakPolarHBondContact CD2-ND2 3.34Å |
| 1859 | D | 74.8 | Confident | 69.6 | Low | 50.25 Ų | 50.25 | 73.7 Ų | 73.7 | 27% | 0.269 | 38% | 0.383 | S | S | . | . | trans | -76.5 | 178.5 | 169.6 | 73.8 | 3.2 | 0 | 0 | 0 | 111.1 | N1861 G1862 Q1863 I1865 S1928 | D1859-N1861 PolarHBondContact O-N 3.32Å; D1859-N1861 VanDerWaalsContact O-N 3.16Å; D1859-N1861 VanDerWaalsContact OD1-C 3.26Å; D1859-N1861 VanDerWaalsContact OD1-CA 3.31Å; D1859-N1861 WeakPolarHBondContact OD1-CA 3.16Å; D1859-N1861 WeakPolarHBondContact OD1-CB 3.36Å; D1859-N1861 PolarHBondContact OD1-N 3.24Å; D1859-G1862 PolarHBondContact O-N 3.23Å; D1859-G1862 VanDerWaalsContact O-N 3.11Å; D1859-G1862 PolarHBondContact OD1-N 3.14Å; D1859-Q1863 PolarHBondContact N-O 3.18Å; D1859-Q1863 WeakPolarHBondContact OD1-CA 3.4Å; D1859-Q1863 PolarHBondContact OD1-N 3.14Å; D1859-I1865 HydrophobicContact CB-CD1 4.33Å; D1859-I1865 HydrophobicContact CB-CG1 4.01Å; D1859-S1928 PolarHBondContact O-OG 3.39Å | ||
| 1860 | K | 68.3 | Low | 67.3 | Low | 208.5 Ų | 208.5 | 79.5 Ų | 79.5 | 91% | 0.907 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.6 | 178 | -67.5 | -173.4 | 178 | -176.4 | 0 | 113.3 | G1862 | K1860-G1862 VanDerWaalsContact C-N 3.34Š|
| 1861 | N | 67.6 | Low | 65.1 | Low | 120.25 Ų | 120.25 | 82.6 Ų | 82.6 | 64% | 0.643 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 6.2 | -179.6 | -61.8 | -17.5 | 0 | 0 | 0 | 112.2 | D1859 Q1863 | D1859-N1861 PolarHBondContact O-N 3.32Å; D1859-N1861 VanDerWaalsContact O-N 3.16Å; D1859-N1861 VanDerWaalsContact OD1-C 3.26Å; D1859-N1861 VanDerWaalsContact OD1-CA 3.31Å; D1859-N1861 WeakPolarHBondContact OD1-CA 3.16Å; D1859-N1861 WeakPolarHBondContact OD1-CB 3.36Å; D1859-N1861 PolarHBondContact OD1-N 3.24Å; N1861-Q1863 HydrophobicContact CB-CG 4.43Å; N1861-Q1863 PolarHBondContact O-N 3.11Å |
| 1862 | G | 65.2 | Low | 62.7 | Low | 0.5 Ų | 0.5 | 89.2 Ų | 89.2 | 1% | 0.005 | 46% | 0.456 | C | S | . | . | S | Bend | trans | 71.7 | 13.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1858 D1859 K1860 | F1858-G1862 WeakPolarHBondContact CD1-O 3.45Å; D1859-G1862 PolarHBondContact O-N 3.23Å; D1859-G1862 VanDerWaalsContact O-N 3.11Å; D1859-G1862 PolarHBondContact OD1-N 3.14Å; K1860-G1862 VanDerWaalsContact C-N 3.34Å |
| 1863 | Q | 73 | Confident | 60.4 | Low | 119.75 Ų | 119.75 | 90.5 Ų | 90.5 | 56% | 0.56 | 46% | 0.458 | S | S | * | . | trans | -83.5 | 145.7 | 171.3 | -56.3 | -168.4 | 1.7 | 0 | 0 | 110.3 | F1858 D1859 N1861 I1865 | F1858-Q1863 CarbonylContact C-O 3.45Å; F1858-Q1863 VanDerWaalsContact CA-O 3.26Å; F1858-Q1863 WeakPolarHBondContact CA-O 3.3Å; D1859-Q1863 PolarHBondContact N-O 3.18Å; D1859-Q1863 WeakPolarHBondContact OD1-CA 3.4Å; D1859-Q1863 PolarHBondContact OD1-N 3.14Å; N1861-Q1863 HydrophobicContact CB-CG 4.43Å; N1861-Q1863 PolarHBondContact O-N 3.11Å; Q1863-I1865 PolarHBondContact O-N 3.13Å | ||
| 1864 | L | 73.3 | Confident | 57.9 | Low | 44.25 Ų | 44.25 | 96.1 Ų | 96.1 | 23% | 0.232 | 49% | 0.488 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 126.1 | 179.4 | -90.2 | 158.4 | 0 | 0 | 0 | 109.7 | P1856 T1857 F1858 T1866 W1900 C1919 A1922 | P1856-L1864 HydrophobicContact CB-CD2 3.89Å; T1857-L1864 WeakPolarHBondContact O-CA 3.38Å; F1858-L1864 HydrophobicContact CD1-CB 4.42Å; F1858-L1864 HydrophobicContact CD1-CD2 3.9Å; F1858-L1864 HydrophobicContact CD1-CG 4.18Å; F1858-L1864 HydrophobicContact CE1-CB 4.36Å; F1858-L1864 HydrophobicContact CE1-CD1 3.83Å; F1858-L1864 HydrophobicContact CE1-CD2 3.43Å; F1858-L1864 VanDerWaalsContact CE1-CD2 3.41Å; F1858-L1864 HydrophobicContact CE1-CG 3.82Å; F1858-L1864 HydrophobicContact CE2-CD2 4.33Å; F1858-L1864 HydrophobicContact CG-CD2 4.48Å; F1858-L1864 HydrophobicContact CZ-CD1 4.15Å; F1858-L1864 HydrophobicContact CZ-CD2 3.69Å; F1858-L1864 HydrophobicContact CZ-CG 4.44Å; L1864-T1866 VanDerWaalsContact C-N 3.3Å; L1864-T1866 HydrophobicContact CD2-CG2 4.26Å; L1864-T1866 PolarHBondContact O-N 3.14Å; L1864-W1900 HydrophobicContact CD1-CZ2 4.22Å; L1864-W1900 HydrophobicContact CD2-CZ2 4.13Å; L1864-W1900 VanDerWaalsContact CD2-NE1 3.27Å; L1864-C1919 HydrophobicContact CD1-CB 3.92Å; L1864-A1922 HydrophobicContact CD1-CB 3.77Å |
| 1865 | I | 67.5 | Low | 55.4 | Low | 77.25 Ų | 77.25 | 99.9 Ų | 99.9 | 40% | 0.396 | 52% | 0.516 | S | S | . | . | trans | -76.4 | 108.7 | 174.9 | -57.6 | 170.9 | 0 | 0 | 0 | 107.5 | T1857 F1858 D1859 Q1863 E1867 | T1857-I1865 PolarHBondContact O-N 3.38Å; F1858-I1865 WeakPolarHBondContact O-CD1 3.45Å; D1859-I1865 HydrophobicContact CB-CD1 4.33Å; D1859-I1865 HydrophobicContact CB-CG1 4.01Å; Q1863-I1865 PolarHBondContact O-N 3.13Å; I1865-E1867 PolarHBondContact O-N 3.29Å | ||
| 1866 | T | 56 | Low | 52.6 | Low | 93 Ų | 93 | 103.5 Ų | 103.5 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | trans | -78.7 | 108.7 | 166.4 | 49.2 | 0 | 0 | 0 | 0 | 107.7 | L1864 K1868 | L1864-T1866 VanDerWaalsContact C-N 3.3Å; L1864-T1866 HydrophobicContact CD2-CG2 4.26Å; L1864-T1866 PolarHBondContact O-N 3.14Å; T1866-K1868 PolarHBondContact O-N 3.29Å; T1866-K1868 VanDerWaalsContact O-N 3.11Å | ||
| 1867 | E | 45.5 | Very low | 49.9 | Very low | 101 Ų | 101 | 110.2 Ų | 110.2 | 47% | 0.472 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -52.1 | 122 | 174.3 | -72.1 | 176.1 | 167.6 | 0 | 0 | 109.7 | I1865 S1899 | I1865-E1867 PolarHBondContact O-N 3.29Å; E1867-S1899 VanDerWaalsContact OE1-CB 3.31Å; E1867-S1899 WeakPolarHBondContact OE1-CB 3.4Å; E1867-S1899 PolarHBondContact OE1-OG 3.33Å; E1867-S1899 WeakPolarHBondContact OE2-CB 3.43Å; E1867-S1899 PolarHBondContact OE2-N 3.1Å; E1867-S1899 VanDerWaalsContact OE2-N 3.09Å; E1867-S1899 PolarHBondContact OE2-OG 2.78Å |
| 1868 | K | 37.1 | Very low | 47.5 | Very low | 189.5 Ų | 189.5 | 115.9 Ų | 115.9 | 82% | 0.824 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 141.1 | 170.8 | -79.4 | -177.6 | 176.8 | -180 | 0 | 109 | T1866 L1870 | T1866-K1868 PolarHBondContact O-N 3.29Å; T1866-K1868 VanDerWaalsContact O-N 3.11Å; K1868-L1870 PolarHBondContact O-N 3.33Å |
| 1869 | P | 33 | Very low | 44.9 | Very low | 97.75 Ų | 97.75 | 121.3 Ų | 121.3 | 64% | 0.635 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 138.2 | -175.6 | 24.3 | -32.7 | 0 | 0 | 0 | 111.4 | N1871 | P1869-N1871 PolarHBondContact O-N 2.9Š|
| 1870 | L | 30 | Very low | 42.7 | Very low | 146.25 Ų | 146.25 | 124.3 Ų | 124.3 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -67.4 | 17.3 | -174.6 | -126.9 | 120.5 | 0 | 0 | 0 | 115.1 | K1868 Q1872 I1873 | K1868-L1870 PolarHBondContact O-N 3.33Å; L1870-Q1872 VanDerWaalsContact C-N 3.27Å; L1870-Q1872 PolarHBondContact O-N 3.16Å; L1870-I1873 HydrophobicContact CD2-CD1 4.36Å; L1870-I1873 PolarHBondContact O-N 3.49Å |
| 1871 | N | 32 | Very low | 40.6 | Very low | 148.5 Ų | 148.5 | 120.7 Ų | 120.7 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 22 | -175.3 | -78.1 | 1.8 | 0 | 0 | 0 | 114.9 | P1869 | P1869-N1871 PolarHBondContact O-N 2.9Š|
| 1872 | Q | 28.3 | Very low | 38.6 | Very low | 183.25 Ų | 183.25 | 121.3 Ų | 121.3 | 86% | 0.856 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | 23.5 | 171 | -87.1 | -173.5 | -9 | 0 | 0 | 114.3 | L1870 N1874 | L1870-Q1872 VanDerWaalsContact C-N 3.27Å; L1870-Q1872 PolarHBondContact O-N 3.16Å; Q1872-N1874 PolarHBondContact O-N 3.21Å |
| 1873 | I | 29 | Very low | 36.7 | Very low | 139.25 Ų | 139.25 | 127.3 Ų | 127.3 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -103.4 | 92.6 | 162.9 | -57.1 | 176.7 | 0 | 0 | 0 | 107.6 | L1870 S1875 | L1870-I1873 HydrophobicContact CD2-CD1 4.36Å; L1870-I1873 PolarHBondContact O-N 3.49Å; I1873-S1875 PolarHBondContact O-N 3.11Å |
| 1874 | N | 28.3 | Very low | 34.5 | Very low | 139.25 Ų | 139.25 | 129 Ų | 129 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | trans | 51 | 100.8 | 159.7 | -69.1 | -17.1 | 0 | 0 | 0 | 113.3 | Q1872 T1876 | Q1872-N1874 PolarHBondContact O-N 3.21Å; N1874-T1876 VanDerWaalsContact C-N 3.33Å; N1874-T1876 PolarHBondContact O-N 2.9Å | ||
| 1875 | S | 27.3 | Very low | 32.2 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | -72 | 87.8 | 130.6 | 50 | 0 | 0 | 0 | 0 | 111.5 | I1873 | I1873-S1875 PolarHBondContact O-N 3.11Š| ||
| 1876 | T | 27.4 | Very low | 30.3 | Very low | 115.75 Ų | 115.75 | 136.2 Ų | 136.2 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | trans | -154.5 | 116.2 | 148.5 | 41.2 | 0 | 0 | 0 | 0 | 108.1 | N1874 | N1874-T1876 VanDerWaalsContact C-N 3.33Å; N1874-T1876 PolarHBondContact O-N 2.9Å | ||
| 1877 | N | 27.4 | Very low | 28.9 | Very low | 150.5 Ų | 150.5 | 135 Ų | 135 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | 81.3 | 77.4 | 164.9 | -50.8 | -17.5 | 0 | 0 | 0 | 117.3 | T1879 | N1877-T1879 PolarHBondContact O-N 2.94Š| ||
| 1878 | L | 27.8 | Very low | 28 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | trans | -144.2 | 91.1 | 141.1 | -110 | 135.3 | 0 | 0 | 0 | 109.2 | T1880 | L1878-T1880 VanDerWaalsContact C-N 3.3Å; L1878-T1880 PolarHBondContact O-N 3.33Å | ||
| 1879 | T | 24.7 | Very low | 27.6 | Very low | 134.75 Ų | 134.75 | 134.2 Ų | 134.2 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -79.2 | 102.6 | 159 | 30 | 0 | 0 | 0 | 0 | 108.6 | N1877 | N1877-T1879 PolarHBondContact O-N 2.94Š| ||
| 1880 | T | 27.6 | Very low | 27.3 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -156.6 | 117.5 | 135.4 | -20.2 | 0 | 0 | 0 | 0 | 109.2 | L1878 V1882 | L1878-T1880 VanDerWaalsContact C-N 3.3Å; L1878-T1880 PolarHBondContact O-N 3.33Å; T1880-V1882 PolarHBondContact O-N 3.28Å; T1880-V1882 VanDerWaalsContact O-N 3.13Å | ||
| 1881 | T | 24.3 | Very low | 27.2 | Very low | 131.25 Ų | 131.25 | 137.4 Ų | 137.4 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -31.1 | 102.2 | 164.4 | 43.9 | 0 | 0 | 0 | 0 | 113.3 | T1883 | T1881-T1883 VanDerWaalsContact C-N 3.3Å; T1881-T1883 PolarHBondContact O-N 3.18Å; T1881-T1883 VanDerWaalsContact O-N 3.08Å | ||
| 1882 | V | 26.5 | Very low | 27 | Very low | 132.5 Ų | 132.5 | 138.2 Ų | 138.2 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | trans | -112.7 | 101.4 | 155.3 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | T1880 I1884 | T1880-V1882 PolarHBondContact O-N 3.28Å; T1880-V1882 VanDerWaalsContact O-N 3.13Å; V1882-I1884 PolarHBondContact O-N 3.05Å; V1882-I1884 VanDerWaalsContact O-N 3.1Å | ||
| 1883 | T | 24.3 | Very low | 26.9 | Very low | 128.25 Ų | 128.25 | 133.7 Ų | 133.7 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | trans | -67.8 | 115.2 | 167.9 | 7.6 | 0 | 0 | 0 | 0 | 109 | T1881 S1885 | T1881-T1883 VanDerWaalsContact C-N 3.3Å; T1881-T1883 PolarHBondContact O-N 3.18Å; T1881-T1883 VanDerWaalsContact O-N 3.08Å; T1883-S1885 PolarHBondContact O-N 3.29Å | ||
| 1884 | I | 27.9 | Very low | 26.9 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | trans | -89.6 | 106.1 | 163 | -60.1 | 172.2 | 0 | 0 | 0 | 107.7 | V1882 N1886 | V1882-I1884 PolarHBondContact O-N 3.05Å; V1882-I1884 VanDerWaalsContact O-N 3.1Å; I1884-N1886 PolarHBondContact O-N 3.35Å | ||
| 1885 | S | 24.8 | Very low | 27.3 | Very low | 109.5 Ų | 109.5 | 130.5 Ų | 130.5 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -86.6 | 116.5 | 163.6 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | T1883 G1887 | T1883-S1885 PolarHBondContact O-N 3.29Å; S1885-G1887 PolarHBondContact O-N 3.11Å | ||
| 1886 | N | 26.8 | Very low | 28.1 | Very low | 162.5 Ų | 162.5 | 133 Ų | 133 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -73.1 | 129.7 | 168 | -82.5 | -23.8 | 0 | 0 | 0 | 111.5 | I1884 | I1884-N1886 PolarHBondContact O-N 3.35Š| ||
| 1887 | G | 26.3 | Very low | 29.2 | Very low | 68.25 Ų | 68.25 | 131.8 Ų | 131.8 | 70% | 0.704 | 78% | 0.775 | S | S | * | * | trans | -157.1 | 103.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1885 S1889 | S1885-G1887 PolarHBondContact O-N 3.11Å; G1887-S1889 PolarHBondContact O-N 3.19Å | ||
| 1888 | N | 28.2 | Very low | 30.6 | Very low | 165.5 Ų | 165.5 | 125.8 Ų | 125.8 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | trans | 120.7 | 100 | 141.6 | -80.8 | -13 | 0 | 0 | 0 | 113.6 | N1890 | N1888-N1890 PolarHBondContact O-N 3.14Š| ||
| 1889 | S | 27.6 | Very low | 32.5 | Very low | 108 Ų | 108 | 119.7 Ų | 119.7 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | -66.7 | 107.6 | 160 | 51.6 | 0 | 0 | 0 | 0 | 109.8 | G1887 | G1887-S1889 PolarHBondContact O-N 3.19Š| ||
| 1890 | N | 27.1 | Very low | 35 | Very low | 145.25 Ų | 145.25 | 113.7 Ų | 113.7 | 78% | 0.777 | 68% | 0.679 | S | S | * | * | trans | -169.2 | 44.9 | 151.9 | -86.8 | -8.8 | 0 | 0 | 0 | 112.4 | N1888 | N1888-N1890 PolarHBondContact O-N 3.14Š| ||
| 1891 | N | 27.6 | Very low | 37.4 | Very low | 166.75 Ų | 166.75 | 108.8 Ų | 108.8 | 89% | 0.892 | 65% | 0.648 | S | S | * | * | trans | -128.2 | 92.2 | 157.4 | -86.7 | -12.6 | 0 | 0 | 0 | 108.9 | A1893 | N1891-A1893 PolarHBondContact O-N 3.15Š| ||
| 1892 | I | 27.2 | Very low | 39.6 | Very low | 164 Ų | 164 | 105.7 Ų | 105.7 | 84% | 0.841 | 63% | 0.632 | S | S | * | * | trans | -76.4 | 114.4 | 169.2 | -64.5 | 166.2 | 0 | 0 | 0 | 106.7 | S1894 | I1892-S1894 VanDerWaalsContact C-N 3.27Å; I1892-S1894 PolarHBondContact O-N 2.98Å | ||
| 1893 | A | 27.3 | Very low | 41.7 | Very low | 89.5 Ų | 89.5 | 100.9 Ų | 100.9 | 74% | 0.74 | 60% | 0.601 | S | S | * | * | trans | 109 | 84.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1891 S1895 | N1891-A1893 PolarHBondContact O-N 3.15Å; A1893-S1895 PolarHBondContact O-N 3.12Å | ||
| 1894 | S | 29.6 | Very low | 43.8 | Very low | 108.75 Ų | 108.75 | 95.2 Ų | 95.2 | 76% | 0.76 | 57% | 0.565 | S | S | * | * | trans | -115.1 | 75.6 | 144.7 | 58.5 | 0 | 0 | 0 | 0 | 109.3 | I1892 K1896 | I1892-S1894 VanDerWaalsContact C-N 3.27Å; I1892-S1894 PolarHBondContact O-N 2.98Å; S1894-K1896 PolarHBondContact O-N 3.15Å | ||
| 1895 | S | 34.7 | Very low | 45.3 | Very low | 102.75 Ų | 102.75 | 94.1 Ų | 94.1 | 72% | 0.719 | 56% | 0.559 | S | S | * | * | trans | -64.3 | 99.8 | 171.5 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | A1893 Q1897 | A1893-S1895 PolarHBondContact O-N 3.12Å; S1895-Q1897 PolarHBondContact O-N 3.15Å | ||
| 1896 | K | 46.1 | Very low | 46.8 | Very low | 171.75 Ų | 171.75 | 93.4 Ų | 93.4 | 75% | 0.747 | 55% | 0.546 | S | S | * | . | trans | -109.8 | 53.6 | 173.6 | -74.9 | 177 | -179.7 | 178.4 | 0 | 112.3 | S1894 S1898 | S1894-K1896 PolarHBondContact O-N 3.15Å; K1896-S1898 PolarHBondContact O-N 3.25Å | ||
| 1897 | Q | 48.7 | Very low | 48.1 | Very low | 91 Ų | 91 | 93.1 Ų | 93.1 | 43% | 0.425 | 54% | 0.544 | S | S | . | . | trans | -70.7 | 124.7 | 175 | -144.4 | 174.3 | 10.5 | 0 | 0 | 109.2 | S1895 S1899 L1901 F1904 Q1915 | S1895-Q1897 PolarHBondContact O-N 3.15Å; Q1897-S1899 PolarHBondContact O-N 2.92Å; Q1897-L1901 HydrophobicContact CG-CB 3.95Å; Q1897-L1901 PolarHBondContact NE2-O 3.19Å; Q1897-L1901 VanDerWaalsContact NE2-O 3.12Å; Q1897-F1904 PolarHBondContact NE2-O 2.99Å; Q1897-F1904 VanDerWaalsContact NE2-O 3.12Å; Q1897-Q1915 VanDerWaalsContact NE2-NE2 3.15Å | ||
| 1898 | S | 57.4 | Low | 49.8 | Very low | 24.25 Ų | 24.25 | 93 Ų | 93 | 17% | 0.17 | 53% | 0.527 | C | S | . | . | trans | -59.8 | 135.3 | 172.8 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | P1854 K1896 W1900 L1901 | P1854-S1898 WeakPolarHBondContact CB-O 3.42Å; K1896-S1898 PolarHBondContact O-N 3.25Å; S1898-W1900 PolarHBondContact O-N 3.05Å; S1898-W1900 VanDerWaalsContact OG-CD1 3.23Å; S1898-W1900 PolarHBondContact OG-NE1 3.32Å; S1898-L1901 PolarHBondContact O-N 3.33Å; S1898-L1901 WeakPolarHBondContact OG-CD1 3.25Å | ||
| 1899 | S | 68.4 | Low | 51.5 | Low | 41 Ų | 41 | 93.7 Ų | 93.7 | 29% | 0.287 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -48.1 | -29.2 | -179.5 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | E1867 Q1897 L1901 S1902 | E1867-S1899 VanDerWaalsContact OE1-CB 3.31Å; E1867-S1899 WeakPolarHBondContact OE1-CB 3.4Å; E1867-S1899 PolarHBondContact OE1-OG 3.33Å; E1867-S1899 WeakPolarHBondContact OE2-CB 3.43Å; E1867-S1899 PolarHBondContact OE2-N 3.1Å; E1867-S1899 VanDerWaalsContact OE2-N 3.09Å; E1867-S1899 PolarHBondContact OE2-OG 2.78Å; Q1897-S1899 PolarHBondContact O-N 2.92Å; S1899-L1901 VanDerWaalsContact C-N 3.31Å; S1899-L1901 PolarHBondContact O-N 3.1Å; S1899-L1901 VanDerWaalsContact O-N 3.1Å; S1899-S1902 VanDerWaalsContact O-CB 3.27Å; S1899-S1902 WeakPolarHBondContact O-CB 3.37Å; S1899-S1902 PolarHBondContact O-N 3.28Å; S1899-S1902 PolarHBondContact O-OG 3.08Å; S1899-S1902 VanDerWaalsContact O-OG 3.13Å |
| 1900 | W | 76.8 | Confident | 53.4 | Low | 8.5 Ų | 8.5 | 92.3 Ų | 92.3 | 3% | 0.032 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -71.7 | -18.1 | -179.5 | 78 | -84.4 | 0 | 0 | 0 | 113.6 | I1755 R1759 P1854 P1856 L1864 S1898 S1902 A1918 A1922 | I1755-W1900 HydrophobicContact CD1-CZ3 3.96Å; I1755-W1900 HydrophobicContact CG1-CZ3 4.44Å; R1759-W1900 PolarHBondContact NH2-O 3.28Å; P1854-W1900 HydrophobicContact CB-CB 4.09Å; P1854-W1900 HydrophobicContact CG-CB 4.48Å; P1856-W1900 HydrophobicContact CB-CD2 4.08Å; P1856-W1900 HydrophobicContact CB-CE3 4.29Å; P1856-W1900 HydrophobicContact CB-CG 4.44Å; P1856-W1900 HydrophobicContact CB-CH2 4.42Å; P1856-W1900 HydrophobicContact CB-CZ2 4.18Å; P1856-W1900 HydrophobicContact CG-CD2 4.5Å; P1856-W1900 HydrophobicContact CG-CE3 4.42Å; L1864-W1900 HydrophobicContact CD1-CZ2 4.22Å; L1864-W1900 HydrophobicContact CD2-CZ2 4.13Å; L1864-W1900 VanDerWaalsContact CD2-NE1 3.27Å; S1898-W1900 PolarHBondContact O-N 3.05Å; S1898-W1900 VanDerWaalsContact OG-CD1 3.23Å; S1898-W1900 PolarHBondContact OG-NE1 3.32Å; W1900-S1902 VanDerWaalsContact C-N 3.32Å; W1900-A1918 HydrophobicContact CH2-CB 4.17Å; W1900-A1918 HydrophobicContact CZ3-CB 4.32Å; W1900-A1922 HydrophobicContact CH2-CB 4.21Å |
| 1901 | L | 77.4 | Confident | 55.6 | Low | 11.5 Ų | 11.5 | 85.8 Ų | 85.8 | 6% | 0.06 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -94.3 | 5.8 | 174 | -67.9 | 174 | 0 | 0 | 0 | 112.9 | Q1897 S1898 S1899 H1903 F1904 Q1915 A1918 | Q1897-L1901 HydrophobicContact CG-CB 3.95Å; Q1897-L1901 PolarHBondContact NE2-O 3.19Å; Q1897-L1901 VanDerWaalsContact NE2-O 3.12Å; S1898-L1901 PolarHBondContact O-N 3.33Å; S1898-L1901 WeakPolarHBondContact OG-CD1 3.25Å; S1899-L1901 VanDerWaalsContact C-N 3.31Å; S1899-L1901 PolarHBondContact O-N 3.1Å; S1899-L1901 VanDerWaalsContact O-N 3.1Å; L1901-H1903 PolarHBondContact O-N 3.19Å; L1901-H1903 VanDerWaalsContact O-N 3.1Å; L1901-F1904 HydrophobicContact CB-CD2 4.14Å; L1901-F1904 HydrophobicContact CD2-CD2 3.75Å; L1901-F1904 HydrophobicContact CD2-CE2 3.57Å; L1901-F1904 VanDerWaalsContact CD2-CE2 3.49Å; L1901-F1904 HydrophobicContact CG-CD2 4.48Å; L1901-F1904 VanDerWaalsContact O-CB 3.32Å; L1901-F1904 WeakPolarHBondContact O-CB 3.45Å; L1901-F1904 WeakPolarHBondContact O-CD2 3.32Å; L1901-F1904 PolarHBondContact O-N 3.18Å; L1901-F1904 VanDerWaalsContact O-N 3.15Å; L1901-Q1915 HydrophobicContact CD1-CB 4.39Å; L1901-Q1915 HydrophobicContact CD1-CG 4.35Å; L1901-A1918 HydrophobicContact CD2-CB 4.14Å |
| 1902 | S | 70.6 | Confident | 57.8 | Low | 65 Ų | 65 | 82.4 Ų | 82.4 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.5 | -172.5 | 57 | 0 | 0 | 0 | 0 | 115.6 | S1899 W1900 F1904 I1905 | S1899-S1902 VanDerWaalsContact O-CB 3.27Å; S1899-S1902 WeakPolarHBondContact O-CB 3.37Å; S1899-S1902 PolarHBondContact O-N 3.28Å; S1899-S1902 PolarHBondContact O-OG 3.08Å; S1899-S1902 VanDerWaalsContact O-OG 3.13Å; W1900-S1902 VanDerWaalsContact C-N 3.32Å; S1902-F1904 VanDerWaalsContact C-N 3.28Å; S1902-F1904 PolarHBondContact O-N 2.99Å; S1902-I1905 VanDerWaalsContact O-CG1 3.27Å; S1902-I1905 WeakPolarHBondContact O-CG1 3.3Å |
| 1903 | H | 70 | Confident | 60.2 | Low | 32 Ų | 32 | 78 Ų | 78 | 15% | 0.148 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12.1 | 176.3 | 64.9 | -80.8 | 0 | 0 | 0 | 113.5 | L1754 Y1758 L1901 I1905 | L1754-H1903 PolarHBondContact O-NE2 3.29Å; L1754-H1903 VanDerWaalsContact O-NE2 3.08Å; Y1758-H1903 HydrophobicContact CD1-CB 4.02Å; Y1758-H1903 AromaticContact CD2-CD2 3.34Å; Y1758-H1903 VanDerWaalsContact CD2-CD2 3.48Å; Y1758-H1903 WeakPolarHBondContact CD2-CD2 3.22Å; Y1758-H1903 AromaticContact CD2-CG 3.93Å; Y1758-H1903 AromaticContact CD2-NE2 3.63Å; Y1758-H1903 WeakPolarHBondContact CD2-NE2 3.3Å; Y1758-H1903 HydrophobicContact CE1-CB 4.44Å; Y1758-H1903 AromaticContact CE2-CD2 3.67Å; Y1758-H1903 AromaticContact CE2-NE2 3.9Å; Y1758-H1903 HydrophobicContact CG-CB 4.1Å; Y1758-H1903 AromaticContact CG-CD2 3.57Å; Y1758-H1903 VanDerWaalsContact CG-CD2 3.48Å; Y1758-H1903 AromaticContact CG-CG 3.83Å; L1901-H1903 PolarHBondContact O-N 3.19Å; L1901-H1903 VanDerWaalsContact O-N 3.1Å; H1903-I1905 VanDerWaalsContact C-N 3.27Å; H1903-I1905 PolarHBondContact O-N 3.13Å; H1903-I1905 VanDerWaalsContact O-N 3.13Å |
| 1904 | F | 68.3 | Low | 62.6 | Low | 7.5 Ų | 7.5 | 74 Ų | 74 | 3% | 0.033 | 40% | 0.398 | C | S | . | . | trans | -84 | 83.4 | 172.3 | -66.8 | -64.7 | 0 | 0 | 0 | 110.7 | I1716 L1754 Q1897 L1901 S1902 N1911 R1914 Q1915 A1918 | I1716-F1904 HydrophobicContact CG2-CE1 4.09Å; L1754-F1904 WeakPolarHBondContact O-CZ 3.24Å; Q1897-F1904 PolarHBondContact NE2-O 2.99Å; Q1897-F1904 VanDerWaalsContact NE2-O 3.12Å; L1901-F1904 HydrophobicContact CB-CD2 4.14Å; L1901-F1904 HydrophobicContact CD2-CD2 3.75Å; L1901-F1904 HydrophobicContact CD2-CE2 3.57Å; L1901-F1904 VanDerWaalsContact CD2-CE2 3.49Å; L1901-F1904 HydrophobicContact CG-CD2 4.48Å; L1901-F1904 VanDerWaalsContact O-CB 3.32Å; L1901-F1904 WeakPolarHBondContact O-CB 3.45Å; L1901-F1904 WeakPolarHBondContact O-CD2 3.32Å; L1901-F1904 PolarHBondContact O-N 3.18Å; L1901-F1904 VanDerWaalsContact O-N 3.15Å; S1902-F1904 VanDerWaalsContact C-N 3.28Å; S1902-F1904 PolarHBondContact O-N 2.99Å; F1904-N1911 WeakPolarHBondContact CB-OD1 3.24Å; F1904-N1911 VanDerWaalsContact CD1-OD1 3.31Å; F1904-N1911 WeakPolarHBondContact CD1-OD1 3.44Å; F1904-N1911 PolarHBondContact O-ND2 3.02Å; F1904-R1914 HydrophobicContact CD1-CB 4.15Å; F1904-R1914 HydrophobicContact CE1-CB 3.7Å; F1904-R1914 HydrophobicContact CE1-CG 4.37Å; F1904-R1914 HydrophobicContact CZ-CB 4.24Å; F1904-Q1915 HydrophobicContact CB-CG 4.23Å; F1904-Q1915 HydrophobicContact CD2-CG 3.95Å; F1904-Q1915 HydrophobicContact CE2-CG 4.35Å; F1904-Q1915 HydrophobicContact CG-CG 4.11Å; F1904-A1918 HydrophobicContact CE2-CB 4.41Å | ||
| 1905 | I | 60.2 | Low | 65 | Low | 132 Ų | 132 | 70.9 Ų | 70.9 | 68% | 0.677 | 37% | 0.372 | S | S | * | . | trans | -81.8 | -12.3 | -175.8 | -56.4 | 171.5 | 0 | 0 | 0 | 112 | S1902 H1903 D1907 N1911 | S1902-I1905 VanDerWaalsContact O-CG1 3.27Å; S1902-I1905 WeakPolarHBondContact O-CG1 3.3Å; H1903-I1905 VanDerWaalsContact C-N 3.27Å; H1903-I1905 PolarHBondContact O-N 3.13Å; H1903-I1905 VanDerWaalsContact O-N 3.13Å; I1905-D1907 PolarHBondContact O-N 2.95Å; I1905-N1911 PolarHBondContact N-ND2 3.47Å; I1905-N1911 WeakPolarHBondContact O-CB 3.42Å; I1905-N1911 PolarHBondContact O-ND2 2.76Å | ||
| 1906 | I | 56.6 | Low | 67.3 | Low | 95.5 Ų | 95.5 | 70.4 Ų | 70.4 | 49% | 0.49 | 36% | 0.358 | S | S | . | . | trans | -80.9 | 105.4 | -169.9 | -54.9 | 176.3 | 0 | 0 | 0 | 111.1 | I1716 D1908 N1911 | I1716-I1906 HydrophobicContact CD1-CD1 4.01Å; I1716-I1906 HydrophobicContact CD1-CG1 4.39Å; I1906-D1908 VanDerWaalsContact C-N 3.3Å; I1906-D1908 HydrophobicContact CG2-CB 4.1Å; I1906-D1908 WeakPolarHBondContact CG2-OD2 3.49Å; I1906-D1908 PolarHBondContact O-N 3.19Å; I1906-D1908 VanDerWaalsContact O-N 3.08Å; I1906-N1911 WeakPolarHBondContact O-CB 3.26Å; I1906-N1911 PolarHBondContact O-ND2 3.06Å | ||
| 1907 | D | 54.9 | Low | 69.2 | Low | 155.5 Ų | 155.5 | 62.3 Ų | 62.3 | 83% | 0.832 | 32% | 0.323 | S | S | * | . | trans | -80 | 70 | 174.3 | -68.2 | -29.3 | 0 | 0 | 0 | 111.2 | I1905 | I1905-D1907 PolarHBondContact O-N 2.95Š| ||
| 1908 | D | 62 | Low | 70.9 | Confident | 66.25 Ų | 66.25 | 57.9 Ų | 57.9 | 35% | 0.354 | 30% | 0.302 | S | S | . | . | trans | -128.1 | 146.8 | 174.2 | 121.7 | 21.2 | 0 | 0 | 0 | 110.4 | I1906 E1910 N1911 D1912 R1914 | I1906-D1908 VanDerWaalsContact C-N 3.3Å; I1906-D1908 HydrophobicContact CG2-CB 4.1Å; I1906-D1908 WeakPolarHBondContact CG2-OD2 3.49Å; I1906-D1908 PolarHBondContact O-N 3.19Å; I1906-D1908 VanDerWaalsContact O-N 3.08Å; D1908-E1910 PolarHBondContact O-N 3.26Å; D1908-E1910 VanDerWaalsContact O-N 3.12Å; D1908-E1910 VanDerWaalsContact OD1-C 3.32Å; D1908-E1910 WeakPolarHBondContact OD1-CA 3.42Å; D1908-E1910 WeakPolarHBondContact OD1-CB 2.93Å; D1908-E1910 PolarHBondContact OD1-N 3.16Å; D1908-E1910 VanDerWaalsContact OD1-N 3.13Å; D1908-N1911 HydrophobicContact CB-CB 4.25Å; D1908-N1911 VanDerWaalsContact O-CB 3.29Å; D1908-N1911 WeakPolarHBondContact O-CB 3.37Å; D1908-N1911 PolarHBondContact O-N 3.32Å; D1908-N1911 VanDerWaalsContact O-N 3.08Å; D1908-N1911 WeakPolarHBondContact OD1-CA 3.28Å; D1908-N1911 VanDerWaalsContact OD1-CB 3.27Å; D1908-N1911 WeakPolarHBondContact OD1-CB 3.32Å; D1908-N1911 PolarHBondContact OD1-N 3Å; D1908-D1912 PolarHBondContact O-N 3.32Å; D1908-R1914 IonicContact OD1-CZ 2.67Å; D1908-R1914 IonicContact OD1-NH1 3.57Å; D1908-R1914 IonicContact OD1-NH2 3.17Å; D1908-R1914 PolarHBondContact OD1-NH2 3.28Å; D1908-R1914 IonicContact OD2-CZ 3.02Å; D1908-R1914 VanDerWaalsContact OD2-CZ 3.28Å; D1908-R1914 IonicContact OD2-NH1 3.13Å; D1908-R1914 PolarHBondContact OD2-NH1 3.36Å; D1908-R1914 IonicContact OD2-NH2 2.87Å; D1908-R1914 PolarHBondContact OD2-NH2 3.35Å | ||
| 1909 | E | 62.6 | Low | 72.2 | Confident | 181.75 Ų | 181.75 | 58.4 Ų | 58.4 | 85% | 0.849 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.8 | 179.1 | -70.8 | -172.4 | 169.3 | 0 | 0 | 112.4 | N1911 D1912 N1913 | E1909-N1911 VanDerWaalsContact C-N 3.3Å; E1909-N1911 PolarHBondContact O-N 3.27Å; E1909-D1912 PolarHBondContact O-N 2.9Å; E1909-N1913 PolarHBondContact O-N 3.15Å; E1909-N1913 PolarHBondContact O-ND2 3.18Å |
| 1910 | E | 67.9 | Low | 73.1 | Confident | 77.25 Ų | 77.25 | 57.8 Ų | 57.8 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.3 | 178.4 | -62.8 | -167.6 | 170.2 | 0 | 0 | 113.2 | T1718 D1908 D1912 N1913 R1914 | T1718-E1910 WeakPolarHBondContact CA-OE2 3.37Å; T1718-E1910 WeakPolarHBondContact CB-OE2 3.38Å; T1718-E1910 HydrophobicContact CG2-CB 4.35Å; T1718-E1910 HydrophobicContact CG2-CG 4.16Å; T1718-E1910 VanDerWaalsContact CG2-OE1 3.23Å; T1718-E1910 WeakPolarHBondContact CG2-OE1 3.34Å; T1718-E1910 VanDerWaalsContact CG2-OE2 3.26Å; T1718-E1910 WeakPolarHBondContact CG2-OE2 3.34Å; D1908-E1910 PolarHBondContact O-N 3.26Å; D1908-E1910 VanDerWaalsContact O-N 3.12Å; D1908-E1910 VanDerWaalsContact OD1-C 3.32Å; D1908-E1910 WeakPolarHBondContact OD1-CA 3.42Å; D1908-E1910 WeakPolarHBondContact OD1-CB 2.93Å; D1908-E1910 PolarHBondContact OD1-N 3.16Å; D1908-E1910 VanDerWaalsContact OD1-N 3.13Å; E1910-D1912 VanDerWaalsContact C-N 3.29Å; E1910-D1912 PolarHBondContact O-N 3.29Å; E1910-N1913 WeakPolarHBondContact O-CB 3.34Å; E1910-N1913 PolarHBondContact O-N 2.94Å; E1910-N1913 VanDerWaalsContact O-N 3.09Å; E1910-R1914 VanDerWaalsContact O-CG 3.23Å; E1910-R1914 WeakPolarHBondContact O-CG 3.4Å; E1910-R1914 PolarHBondContact O-N 3.12Å; E1910-R1914 VanDerWaalsContact O-N 3.09Å; E1910-R1914 PolarHBondContact O-NE 2.93Å; E1910-R1914 VanDerWaalsContact O-NE 3.09Å; E1910-R1914 IonicContact OE2-CZ 2.85Å; E1910-R1914 IonicContact OE2-NH1 2.61Å; E1910-R1914 IonicContact OE2-NH2 3.98Å; E1910-R1914 PolarHBondContact OE2-NH2 2.98Å |
| 1911 | N | 72.9 | Confident | 73.6 | Confident | 8.75 Ų | 8.75 | 57.4 Ų | 57.4 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.9 | -37.3 | -179.2 | -143.5 | 24.6 | 0 | 0 | 0 | 111.6 | F1904 I1905 I1906 D1908 E1909 N1913 R1914 Q1915 | F1904-N1911 WeakPolarHBondContact CB-OD1 3.24Å; F1904-N1911 VanDerWaalsContact CD1-OD1 3.31Å; F1904-N1911 WeakPolarHBondContact CD1-OD1 3.44Å; F1904-N1911 PolarHBondContact O-ND2 3.02Å; I1905-N1911 PolarHBondContact N-ND2 3.47Å; I1905-N1911 WeakPolarHBondContact O-CB 3.42Å; I1905-N1911 PolarHBondContact O-ND2 2.76Å; I1906-N1911 WeakPolarHBondContact O-CB 3.26Å; I1906-N1911 PolarHBondContact O-ND2 3.06Å; D1908-N1911 HydrophobicContact CB-CB 4.25Å; D1908-N1911 VanDerWaalsContact O-CB 3.29Å; D1908-N1911 WeakPolarHBondContact O-CB 3.37Å; D1908-N1911 PolarHBondContact O-N 3.32Å; D1908-N1911 VanDerWaalsContact O-N 3.08Å; D1908-N1911 WeakPolarHBondContact OD1-CA 3.28Å; D1908-N1911 VanDerWaalsContact OD1-CB 3.27Å; D1908-N1911 WeakPolarHBondContact OD1-CB 3.32Å; D1908-N1911 PolarHBondContact OD1-N 3Å; E1909-N1911 VanDerWaalsContact C-N 3.3Å; E1909-N1911 PolarHBondContact O-N 3.27Å; N1911-N1913 VanDerWaalsContact C-N 3.33Å; N1911-N1913 PolarHBondContact O-N 3.2Å; N1911-R1914 WeakPolarHBondContact O-CB 3.38Å; N1911-R1914 PolarHBondContact O-N 3.11Å; N1911-R1914 VanDerWaalsContact O-N 3.16Å; N1911-R1914 PolarHBondContact OD1-NE 3.24Å; N1911-R1914 PolarHBondContact OD1-NH1 2.88Å; N1911-R1914 PolarHBondContact OD1-NH2 3.35Å; N1911-Q1915 PolarHBondContact ND2-NE2 3.37Å; N1911-Q1915 VanDerWaalsContact ND2-NE2 3.15Å; N1911-Q1915 WeakPolarHBondContact O-CB 3.08Å; N1911-Q1915 VanDerWaalsContact O-CG 3.31Å; N1911-Q1915 WeakPolarHBondContact O-CG 3.31Å; N1911-Q1915 PolarHBondContact O-N 3.24Å |
| 1912 | D | 74.7 | Confident | 74.1 | Confident | 96.25 Ų | 96.25 | 56.9 Ų | 56.9 | 52% | 0.515 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 173.9 | -94.2 | 0.9 | 0 | 0 | 0 | 111.1 | D1908 E1909 E1910 R1914 Q1915 Q1916 | D1908-D1912 PolarHBondContact O-N 3.32Å; E1909-D1912 PolarHBondContact O-N 2.9Å; E1910-D1912 VanDerWaalsContact C-N 3.29Å; E1910-D1912 PolarHBondContact O-N 3.29Å; D1912-R1914 VanDerWaalsContact C-N 3.32Å; D1912-R1914 PolarHBondContact O-N 2.98Å; D1912-Q1915 PolarHBondContact O-N 3.2Å; D1912-Q1916 VanDerWaalsContact CG-NE2 3.34Å; D1912-Q1916 WeakPolarHBondContact O-CB 3.37Å; D1912-Q1916 VanDerWaalsContact O-CG 3.27Å; D1912-Q1916 WeakPolarHBondContact O-CG 3.15Å; D1912-Q1916 PolarHBondContact O-N 2.98Å; D1912-Q1916 PolarHBondContact OD1-NE2 3.47Å; D1912-Q1916 PolarHBondContact OD2-NE2 2.98Å |
| 1913 | N | 77 | Confident | 74.8 | Confident | 71.75 Ų | 71.75 | 58.6 Ų | 58.6 | 38% | 0.384 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 176 | -92.7 | -27.5 | 0 | 0 | 0 | 112.1 | P1719 E1909 E1910 N1911 Q1916 A1917 | P1719-N1913 HydrophobicContact CG-CB 4.15Å; E1909-N1913 PolarHBondContact O-N 3.15Å; E1909-N1913 PolarHBondContact O-ND2 3.18Å; E1910-N1913 WeakPolarHBondContact O-CB 3.34Å; E1910-N1913 PolarHBondContact O-N 2.94Å; E1910-N1913 VanDerWaalsContact O-N 3.09Å; N1911-N1913 VanDerWaalsContact C-N 3.33Å; N1911-N1913 PolarHBondContact O-N 3.2Å; N1913-Q1916 PolarHBondContact O-N 3.23Å; N1913-A1917 VanDerWaalsContact O-CB 3.25Å; N1913-A1917 WeakPolarHBondContact O-CB 3.35Å; N1913-A1917 PolarHBondContact O-N 3.12Å |
| 1914 | R | 78.9 | Confident | 75.6 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 175.9 | -72.5 | 176.3 | -95.1 | 176.6 | -2.2 | 112 | I1716 L1717 P1719 L1754 F1904 D1908 E1910 N1911 D1912 A1917 A1918 | I1716-R1914 VanDerWaalsContact CB-NH1 3.34Å; I1716-R1914 VanDerWaalsContact CG2-CD 3.48Å; I1716-R1914 VanDerWaalsContact CG2-NH1 3.3Å; I1716-R1914 PolarHBondContact O-NH2 3.33Å; L1717-R1914 PolarHBondContact O-NE 3.36Å; L1717-R1914 PolarHBondContact O-NH2 3.49Å; P1719-R1914 HydrophobicContact CB-CG 4.43Å; P1719-R1914 VanDerWaalsContact CD-CG 3.45Å; P1719-R1914 HydrophobicContact CG-CB 4.37Å; P1719-R1914 HydrophobicContact CG-CG 3.61Å; L1754-R1914 HydrophobicContact CD2-CB 4.19Å; L1754-R1914 HydrophobicContact CD2-CG 4.33Å; F1904-R1914 HydrophobicContact CD1-CB 4.15Å; F1904-R1914 HydrophobicContact CE1-CB 3.7Å; F1904-R1914 HydrophobicContact CE1-CG 4.37Å; F1904-R1914 HydrophobicContact CZ-CB 4.24Å; D1908-R1914 IonicContact OD1-CZ 2.67Å; D1908-R1914 IonicContact OD1-NH1 3.57Å; D1908-R1914 IonicContact OD1-NH2 3.17Å; D1908-R1914 PolarHBondContact OD1-NH2 3.28Å; D1908-R1914 IonicContact OD2-CZ 3.02Å; D1908-R1914 VanDerWaalsContact OD2-CZ 3.28Å; D1908-R1914 IonicContact OD2-NH1 3.13Å; D1908-R1914 PolarHBondContact OD2-NH1 3.36Å; D1908-R1914 IonicContact OD2-NH2 2.87Å; D1908-R1914 PolarHBondContact OD2-NH2 3.35Å; E1910-R1914 VanDerWaalsContact O-CG 3.23Å; E1910-R1914 WeakPolarHBondContact O-CG 3.4Å; E1910-R1914 PolarHBondContact O-N 3.12Å; E1910-R1914 VanDerWaalsContact O-N 3.09Å; E1910-R1914 PolarHBondContact O-NE 2.93Å; E1910-R1914 VanDerWaalsContact O-NE 3.09Å; E1910-R1914 IonicContact OE2-CZ 2.85Å; E1910-R1914 IonicContact OE2-NH1 2.61Å; E1910-R1914 IonicContact OE2-NH2 3.98Å; E1910-R1914 PolarHBondContact OE2-NH2 2.98Å; N1911-R1914 WeakPolarHBondContact O-CB 3.38Å; N1911-R1914 PolarHBondContact O-N 3.11Å; N1911-R1914 VanDerWaalsContact O-N 3.16Å; N1911-R1914 PolarHBondContact OD1-NE 3.24Å; N1911-R1914 PolarHBondContact OD1-NH1 2.88Å; N1911-R1914 PolarHBondContact OD1-NH2 3.35Å; D1912-R1914 VanDerWaalsContact C-N 3.32Å; D1912-R1914 PolarHBondContact O-N 2.98Å; R1914-A1917 PolarHBondContact O-N 3.1Å; R1914-A1918 WeakPolarHBondContact O-CB 3.44Å; R1914-A1918 PolarHBondContact O-N 3.29Å |
| 1915 | Q | 79.9 | Confident | 76.6 | Confident | 43 Ų | 43 | 61 Ų | 61 | 20% | 0.201 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.8 | -69.5 | -177.5 | 25.7 | 0 | 0 | 111.1 | Q1897 L1901 F1904 N1911 D1912 A1917 A1918 C1919 | Q1897-Q1915 VanDerWaalsContact NE2-NE2 3.15Å; L1901-Q1915 HydrophobicContact CD1-CB 4.39Å; L1901-Q1915 HydrophobicContact CD1-CG 4.35Å; F1904-Q1915 HydrophobicContact CB-CG 4.23Å; F1904-Q1915 HydrophobicContact CD2-CG 3.95Å; F1904-Q1915 HydrophobicContact CE2-CG 4.35Å; F1904-Q1915 HydrophobicContact CG-CG 4.11Å; N1911-Q1915 PolarHBondContact ND2-NE2 3.37Å; N1911-Q1915 VanDerWaalsContact ND2-NE2 3.15Å; N1911-Q1915 WeakPolarHBondContact O-CB 3.08Å; N1911-Q1915 VanDerWaalsContact O-CG 3.31Å; N1911-Q1915 WeakPolarHBondContact O-CG 3.31Å; N1911-Q1915 PolarHBondContact O-N 3.24Å; D1912-Q1915 PolarHBondContact O-N 3.2Å; Q1915-A1917 VanDerWaalsContact C-N 3.33Å; Q1915-A1917 PolarHBondContact O-N 3.18Å; Q1915-A1918 WeakPolarHBondContact O-CB 3.01Å; Q1915-A1918 PolarHBondContact O-N 3.17Å; Q1915-C1919 VanDerWaalsContact O-CB 3.29Å; Q1915-C1919 WeakPolarHBondContact O-CB 3.32Å; Q1915-C1919 PolarHBondContact O-N 3.17Å; Q1915-C1919 PolarHBondContact O-SG 3.34Å |
| 1916 | Q | 82.5 | Confident | 77.9 | Confident | 93.5 Ų | 93.5 | 54.7 Ų | 54.7 | 44% | 0.437 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 176.4 | -70.6 | 176.1 | 18.7 | 0 | 0 | 112.1 | L1722 D1912 N1913 C1919 L1920 | L1722-Q1916 HydrophobicContact CD1-CB 4.06Å; L1722-Q1916 HydrophobicContact CD2-CB 4.05Å; D1912-Q1916 VanDerWaalsContact CG-NE2 3.34Å; D1912-Q1916 WeakPolarHBondContact O-CB 3.37Å; D1912-Q1916 VanDerWaalsContact O-CG 3.27Å; D1912-Q1916 WeakPolarHBondContact O-CG 3.15Å; D1912-Q1916 PolarHBondContact O-N 2.98Å; D1912-Q1916 PolarHBondContact OD1-NE2 3.47Å; D1912-Q1916 PolarHBondContact OD2-NE2 2.98Å; N1913-Q1916 PolarHBondContact O-N 3.23Å; Q1916-C1919 PolarHBondContact O-N 3.19Å; Q1916-L1920 VanDerWaalsContact O-CB 3.32Å; Q1916-L1920 WeakPolarHBondContact O-CB 3.34Å; Q1916-L1920 PolarHBondContact O-N 3.12Å |
| 1917 | A | 85.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1719 L1722 I1725 L1754 N1913 R1914 Q1915 C1919 L1920 L1921 | P1719-A1917 HydrophobicContact CB-CB 4.24Å; L1722-A1917 HydrophobicContact CD2-CB 4.12Å; I1725-A1917 HydrophobicContact CD1-CB 3.52Å; I1725-A1917 VanDerWaalsContact CD1-CB 3.5Å; L1754-A1917 HydrophobicContact CD1-CB 4.28Å; N1913-A1917 VanDerWaalsContact O-CB 3.25Å; N1913-A1917 WeakPolarHBondContact O-CB 3.35Å; N1913-A1917 PolarHBondContact O-N 3.12Å; R1914-A1917 PolarHBondContact O-N 3.1Å; Q1915-A1917 VanDerWaalsContact C-N 3.33Å; Q1915-A1917 PolarHBondContact O-N 3.18Å; A1917-C1919 PolarHBondContact O-N 2.87Å; A1917-L1920 PolarHBondContact O-N 3.23Å; A1917-L1921 WeakPolarHBondContact O-CB 3.38Å; A1917-L1921 WeakPolarHBondContact O-CG 3.36Å; A1917-L1921 PolarHBondContact O-N 3.07Å |
| 1918 | A | 84.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1755 W1900 L1901 F1904 R1914 Q1915 L1921 A1922 | I1755-A1918 HydrophobicContact CD1-CB 3.85Å; I1755-A1918 HydrophobicContact CG1-CB 4.2Å; W1900-A1918 HydrophobicContact CH2-CB 4.17Å; W1900-A1918 HydrophobicContact CZ3-CB 4.32Å; L1901-A1918 HydrophobicContact CD2-CB 4.14Å; F1904-A1918 HydrophobicContact CE2-CB 4.41Å; R1914-A1918 WeakPolarHBondContact O-CB 3.44Å; R1914-A1918 PolarHBondContact O-N 3.29Å; Q1915-A1918 WeakPolarHBondContact O-CB 3.01Å; Q1915-A1918 PolarHBondContact O-N 3.17Å; A1918-L1921 PolarHBondContact O-N 3.25Å; A1918-A1922 VanDerWaalsContact O-CB 3.31Å; A1918-A1922 WeakPolarHBondContact O-CB 3.32Å; A1918-A1922 PolarHBondContact O-N 3.11Å |
| 1919 | C | 85.4 | Confident | 81.2 | Confident | 34.75 Ų | 34.75 | 44.4 Ų | 44.4 | 24% | 0.235 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.5 | -74.2 | 0 | 0 | 0 | 0 | 112.4 | L1864 Q1915 Q1916 A1917 A1922 K1923 | L1864-C1919 HydrophobicContact CD1-CB 3.92Å; Q1915-C1919 VanDerWaalsContact O-CB 3.29Å; Q1915-C1919 WeakPolarHBondContact O-CB 3.32Å; Q1915-C1919 PolarHBondContact O-N 3.17Å; Q1915-C1919 PolarHBondContact O-SG 3.34Å; Q1916-C1919 PolarHBondContact O-N 3.19Å; A1917-C1919 PolarHBondContact O-N 2.87Å; C1919-A1922 PolarHBondContact O-N 3.22Å; C1919-K1923 VanDerWaalsContact O-CB 3.29Å; C1919-K1923 WeakPolarHBondContact O-CB 3.2Å; C1919-K1923 PolarHBondContact O-N 3.29Å |
| 1920 | L | 86 | Confident | 82.1 | Confident | 29 Ų | 29 | 41 Ų | 41 | 15% | 0.152 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 177.3 | 179 | 103.3 | 0 | 0 | 0 | 111.6 | L1722 I1725 Q1726 L1729 Q1916 A1917 K1923 K1924 | L1722-L1920 HydrophobicContact CB-CD2 4.31Å; L1722-L1920 HydrophobicContact CD2-CB 4.44Å; L1722-L1920 HydrophobicContact CD2-CD1 4.36Å; L1722-L1920 HydrophobicContact CD2-CD2 4.11Å; I1725-L1920 HydrophobicContact CB-CD2 4.06Å; I1725-L1920 HydrophobicContact CG2-CD2 3.67Å; I1725-L1920 VanDerWaalsContact CG2-CD2 3.46Å; I1725-L1920 HydrophobicContact CG2-CG 4.47Å; Q1726-L1920 HydrophobicContact CG-CD1 4.08Å; Q1726-L1920 HydrophobicContact CG-CD2 4.15Å; L1729-L1920 HydrophobicContact CD1-CD2 3.82Å; Q1916-L1920 VanDerWaalsContact O-CB 3.32Å; Q1916-L1920 WeakPolarHBondContact O-CB 3.34Å; Q1916-L1920 PolarHBondContact O-N 3.12Å; A1917-L1920 PolarHBondContact O-N 3.23Å; L1920-K1923 PolarHBondContact O-N 3.18Å; L1920-K1924 HydrophobicContact CD1-CG 4.38Å; L1920-K1924 PolarHBondContact O-N 3.11Å |
| 1921 | L | 88.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 176.5 | -71.9 | 166.6 | 0 | 0 | 0 | 111.1 | I1725 L1729 I1747 L1750 I1751 L1754 A1917 A1918 K1923 K1924 L1925 F1972 | I1725-L1921 HydrophobicContact CG2-CD2 3.68Å; I1725-L1921 HydrophobicContact CG2-CG 4.07Å; L1729-L1921 HydrophobicContact CD1-CD2 4.36Å; L1729-L1921 HydrophobicContact CD2-CD2 4.25Å; L1729-L1921 HydrophobicContact CG-CD2 4.49Å; I1747-L1921 HydrophobicContact CD1-CD2 4.22Å; I1747-L1921 HydrophobicContact CG2-CD2 4.1Å; L1750-L1921 HydrophobicContact CD2-CD1 4.15Å; L1750-L1921 HydrophobicContact CG-CD1 4.34Å; I1751-L1921 HydrophobicContact CD1-CD2 4.47Å; I1751-L1921 HydrophobicContact CG1-CD1 3.94Å; I1751-L1921 HydrophobicContact CG1-CD2 4.3Å; I1751-L1921 HydrophobicContact CG1-CG 4.5Å; L1754-L1921 HydrophobicContact CD1-CD1 4.16Å; A1917-L1921 WeakPolarHBondContact O-CB 3.38Å; A1917-L1921 WeakPolarHBondContact O-CG 3.36Å; A1917-L1921 PolarHBondContact O-N 3.07Å; A1918-L1921 PolarHBondContact O-N 3.25Å; L1921-K1923 VanDerWaalsContact C-N 3.33Å; L1921-K1923 PolarHBondContact O-N 3.16Å; L1921-K1924 PolarHBondContact O-N 3.26Å; L1921-L1925 HydrophobicContact CD2-CD1 4.35Å; L1921-L1925 VanDerWaalsContact O-CB 3.31Å; L1921-L1925 WeakPolarHBondContact O-CB 3.33Å; L1921-L1925 PolarHBondContact O-N 3.28Å; L1921-F1972 HydrophobicContact CB-CZ 4.12Å |
| 1922 | A | 86.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P1856 F1858 L1864 W1900 A1918 C1919 K1924 C1926 S1927 F1972 | P1856-A1922 HydrophobicContact CB-CB 4.46Å; P1856-A1922 HydrophobicContact CG-CB 4.44Å; F1858-A1922 HydrophobicContact CZ-CB 4.17Å; F1858-A1922 WeakPolarHBondContact CZ-O 3.36Å; L1864-A1922 HydrophobicContact CD1-CB 3.77Å; W1900-A1922 HydrophobicContact CH2-CB 4.21Å; A1918-A1922 VanDerWaalsContact O-CB 3.31Å; A1918-A1922 WeakPolarHBondContact O-CB 3.32Å; A1918-A1922 PolarHBondContact O-N 3.11Å; C1919-A1922 PolarHBondContact O-N 3.22Å; A1922-K1924 PolarHBondContact O-N 3.45Å; A1922-C1926 CarbonylContact O-C 3.54Å; A1922-C1926 WeakPolarHBondContact O-CA 3.45Å; A1922-C1926 WeakPolarHBondContact O-CB 3.31Å; A1922-C1926 PolarHBondContact O-N 3.08Å; A1922-S1927 PolarHBondContact O-N 3.37Å; A1922-F1972 HydrophobicContact CB-CD1 4.05Å; A1922-F1972 HydrophobicContact CB-CE1 3.74Å; A1922-F1972 HydrophobicContact CB-CZ 4.42Å |
| 1923 | K | 86 | Confident | 83.7 | Confident | 100.25 Ų | 100.25 | 41.4 Ų | 41.4 | 44% | 0.436 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 178.3 | -172.5 | 177.4 | -179 | 179.8 | 0 | 112.1 | C1919 L1920 L1921 S1927 L1929 T1932 | C1919-K1923 VanDerWaalsContact O-CB 3.29Å; C1919-K1923 WeakPolarHBondContact O-CB 3.2Å; C1919-K1923 PolarHBondContact O-N 3.29Å; L1920-K1923 PolarHBondContact O-N 3.18Å; L1921-K1923 VanDerWaalsContact C-N 3.33Å; L1921-K1923 PolarHBondContact O-N 3.16Å; K1923-S1927 WeakPolarHBondContact O-CB 3.28Å; K1923-S1927 PolarHBondContact O-OG 3.25Å; K1923-L1929 HydrophobicContact CG-CD1 4.43Å; K1923-T1932 PolarHBondContact O-OG1 3.15Å |
| 1924 | K | 86.1 | Confident | 84.1 | Confident | 89.25 Ų | 89.25 | 43.8 Ų | 43.8 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -81.1 | -29.6 | -176.7 | -77.2 | -69.7 | 178.6 | -175.2 | 0 | 114.2 | L1729 L1920 L1921 A1922 E1931 T1932 | L1729-K1924 HydrophobicContact CD1-CB 3.82Å; L1729-K1924 HydrophobicContact CD1-CG 4.1Å; L1920-K1924 HydrophobicContact CD1-CG 4.38Å; L1920-K1924 PolarHBondContact O-N 3.11Å; L1921-K1924 PolarHBondContact O-N 3.26Å; A1922-K1924 PolarHBondContact O-N 3.45Å; K1924-E1931 IonicContact NZ-OE2 3.12Å; K1924-E1931 PolarHBondContact NZ-OE2 3.24Å; K1924-T1932 WeakPolarHBondContact O-CB 3.39Å; K1924-T1932 VanDerWaalsContact O-CG2 3.32Å; K1924-T1932 WeakPolarHBondContact O-CG2 3.21Å; K1924-T1932 PolarHBondContact O-OG1 2.95Å |
| 1925 | L | 89 | Confident | 84.6 | Confident | 0.75 Ų | 0.75 | 45 Ų | 45 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -102.9 | -22.9 | -174.7 | -63 | 173.5 | 0 | 0 | 0 | 114.6 | L1729 I1747 I1751 L1921 T1932 F1935 W1936 F1972 | L1729-L1925 HydrophobicContact CD2-CD1 4.19Å; L1729-L1925 HydrophobicContact CD2-CD2 3.92Å; L1729-L1925 HydrophobicContact CD2-CG 4.09Å; I1747-L1925 HydrophobicContact CG2-CD1 4.29Å; I1751-L1925 HydrophobicContact CD1-CD1 3.44Å; I1751-L1925 VanDerWaalsContact CD1-CD1 3.44Å; L1921-L1925 HydrophobicContact CD2-CD1 4.35Å; L1921-L1925 VanDerWaalsContact O-CB 3.31Å; L1921-L1925 WeakPolarHBondContact O-CB 3.33Å; L1921-L1925 PolarHBondContact O-N 3.28Å; L1925-T1932 VanDerWaalsContact C-CG2 3.41Å; L1925-T1932 VanDerWaalsContact O-CG2 3.29Å; L1925-T1932 WeakPolarHBondContact O-CG2 3.24Å; L1925-F1935 HydrophobicContact CD2-CD1 4.03Å; L1925-F1935 HydrophobicContact CD2-CE1 3.37Å; L1925-F1935 VanDerWaalsContact CD2-CE1 3.46Å; L1925-F1935 HydrophobicContact CD2-CE2 4.45Å; L1925-F1935 HydrophobicContact CD2-CZ 3.66Å; L1925-W1936 PolarHBondContact O-NE1 3.23Å; L1925-F1972 HydrophobicContact CB-CE2 4.11Å; L1925-F1972 HydrophobicContact CD1-CE2 4.19Å |
| 1926 | C | 87.6 | Confident | 85 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -131.8 | -3.7 | -170.7 | -165.7 | 0 | 0 | 0 | 0 | 114.5 | F1858 A1922 F1972 N1976 M1977 | F1858-C1926 HydrophobicContact CE2-CB 4.32Å; F1858-C1926 WeakPolarHBondContact CE2-O 3.06Å; F1858-C1926 HydrophobicContact CZ-CB 4.38Å; A1922-C1926 CarbonylContact O-C 3.54Å; A1922-C1926 WeakPolarHBondContact O-CA 3.45Å; A1922-C1926 WeakPolarHBondContact O-CB 3.31Å; A1922-C1926 PolarHBondContact O-N 3.08Å; C1926-F1972 HydrophobicContact CB-CB 3.91Å; C1926-F1972 HydrophobicContact CB-CD2 4.03Å; C1926-F1972 HydrophobicContact CB-CG 3.97Å; C1926-F1972 VanDerWaalsContact SG-CB 3.55Å; C1926-F1972 WeakPolarHBondContact SG-CB 3.33Å; C1926-N1976 WeakPolarHBondContact O-CB 3.4Å; C1926-N1976 PolarHBondContact O-ND2 3.09Å; C1926-M1977 HydrophobicContact CB-SD 4.06Å; C1926-M1977 VanDerWaalsContact SG-SD 3.68Å |
| 1927 | S | 84 | Confident | 85.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -65 | 158.5 | 177.8 | 74.2 | 0 | 0 | 0 | 0 | 112 | A1922 K1923 L1929 T1932 H1980 | A1922-S1927 PolarHBondContact O-N 3.37Å; K1923-S1927 WeakPolarHBondContact O-CB 3.28Å; K1923-S1927 PolarHBondContact O-OG 3.25Å; S1927-L1929 PolarHBondContact O-N 3Å; S1927-L1929 VanDerWaalsContact O-N 3.14Å; S1927-L1929 VanDerWaalsContact OG-CB 3.32Å; S1927-L1929 WeakPolarHBondContact OG-CB 3.22Å; S1927-L1929 WeakPolarHBondContact OG-CD1 3.34Å; S1927-L1929 VanDerWaalsContact OG-CG 3.3Å; S1927-L1929 WeakPolarHBondContact OG-CG 3.44Å; S1927-L1929 PolarHBondContact OG-N 3.02Å; S1927-T1932 PolarHBondContact OG-OG1 3.04Å; S1927-H1980 PolarHBondContact O-CE1 3.34Å; S1927-H1980 VanDerWaalsContact O-CE1 3.29Å; S1927-H1980 PolarHBondContact O-NE2 3.18Å |
| 1928 | S | 78.7 | Confident | 85.2 | Confident | 52.75 Ų | 52.75 | 41.8 Ų | 41.8 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -74.5 | 9 | 173.3 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | D1859 | D1859-S1928 PolarHBondContact O-OG 3.39Š|
| 1929 | L | 80.5 | Confident | 85.3 | Confident | 48 Ų | 48 | 42 Ų | 42 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -74.2 | 145.4 | -178.4 | -62.3 | 172.8 | 0 | 0 | 0 | 111.4 | K1923 S1927 E1931 T1932 R1933 | K1923-L1929 HydrophobicContact CG-CD1 4.43Å; S1927-L1929 PolarHBondContact O-N 3Å; S1927-L1929 VanDerWaalsContact O-N 3.14Å; S1927-L1929 VanDerWaalsContact OG-CB 3.32Å; S1927-L1929 WeakPolarHBondContact OG-CB 3.22Å; S1927-L1929 WeakPolarHBondContact OG-CD1 3.34Å; S1927-L1929 VanDerWaalsContact OG-CG 3.3Å; S1927-L1929 WeakPolarHBondContact OG-CG 3.44Å; S1927-L1929 PolarHBondContact OG-N 3.02Å; L1929-E1931 PolarHBondContact O-N 2.97Å; L1929-T1932 WeakPolarHBondContact O-CB 3.36Å; L1929-T1932 PolarHBondContact O-N 3.25Å; L1929-T1932 VanDerWaalsContact O-N 3.12Å; L1929-R1933 PolarHBondContact O-N 3.2Å |
| 1930 | N | 80.6 | Confident | 85.3 | Confident | 109.5 Ų | 109.5 | 40.4 Ų | 40.4 | 59% | 0.586 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -58.8 | -33.1 | 174 | -94.6 | 2.2 | 0 | 0 | 0 | 112.3 | T1932 R1933 E1934 | N1930-T1932 VanDerWaalsContact C-N 3.29Å; N1930-T1932 PolarHBondContact O-N 3.35Å; N1930-R1933 WeakPolarHBondContact O-CA 3.44Å; N1930-R1933 WeakPolarHBondContact O-CB 3.34Å; N1930-R1933 PolarHBondContact O-N 2.93Å; N1930-R1933 VanDerWaalsContact O-N 3.11Å; N1930-E1934 PolarHBondContact ND2-OE1 3.3Å; N1930-E1934 VanDerWaalsContact ND2-OE1 3.08Å; N1930-E1934 WeakPolarHBondContact O-CG 3.46Å; N1930-E1934 PolarHBondContact O-N 3.05Å |
| 1931 | E | 81.9 | Confident | 85.2 | Confident | 110.75 Ų | 110.75 | 43.3 Ų | 43.3 | 52% | 0.518 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.8 | -40.2 | 174.7 | -64.9 | -179 | -170.3 | 0 | 0 | 112.8 | K1924 L1929 R1933 E1934 F1935 | K1924-E1931 IonicContact NZ-OE2 3.12Å; K1924-E1931 PolarHBondContact NZ-OE2 3.24Å; L1929-E1931 PolarHBondContact O-N 2.97Å; E1931-R1933 VanDerWaalsContact C-N 3.33Å; E1931-E1934 PolarHBondContact O-N 3.17Å; E1931-F1935 PolarHBondContact O-N 3.27Å |
| 1932 | T | 84.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -38.6 | 178.3 | -62.7 | 0 | 0 | 0 | 0 | 110.4 | K1923 K1924 L1925 S1927 L1929 N1930 F1935 W1936 H1980 | K1923-T1932 PolarHBondContact O-OG1 3.15Å; K1924-T1932 WeakPolarHBondContact O-CB 3.39Å; K1924-T1932 VanDerWaalsContact O-CG2 3.32Å; K1924-T1932 WeakPolarHBondContact O-CG2 3.21Å; K1924-T1932 PolarHBondContact O-OG1 2.95Å; L1925-T1932 VanDerWaalsContact C-CG2 3.41Å; L1925-T1932 VanDerWaalsContact O-CG2 3.29Å; L1925-T1932 WeakPolarHBondContact O-CG2 3.24Å; S1927-T1932 PolarHBondContact OG-OG1 3.04Å; L1929-T1932 WeakPolarHBondContact O-CB 3.36Å; L1929-T1932 PolarHBondContact O-N 3.25Å; L1929-T1932 VanDerWaalsContact O-N 3.12Å; N1930-T1932 VanDerWaalsContact C-N 3.29Å; N1930-T1932 PolarHBondContact O-N 3.35Å; T1932-F1935 WeakPolarHBondContact O-CB 3.31Å; T1932-F1935 PolarHBondContact O-N 3.23Å; T1932-W1936 PolarHBondContact O-N 3.28Å; T1932-W1936 VanDerWaalsContact O-N 3.15Å; T1932-H1980 WeakPolarHBondContact CG2-NE2 3.38Å |
| 1933 | R | 84.3 | Confident | 84.6 | Confident | 77.75 Ų | 77.75 | 45.2 Ų | 45.2 | 29% | 0.293 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.1 | -44 | 174.2 | -170.6 | -178.3 | -86.4 | -175.3 | -5.2 | 111.2 | L1929 N1930 E1931 F1935 W1936 T1937 E1979 Y1983 | L1929-R1933 PolarHBondContact O-N 3.2Å; N1930-R1933 WeakPolarHBondContact O-CA 3.44Å; N1930-R1933 WeakPolarHBondContact O-CB 3.34Å; N1930-R1933 PolarHBondContact O-N 2.93Å; N1930-R1933 VanDerWaalsContact O-N 3.11Å; E1931-R1933 VanDerWaalsContact C-N 3.33Å; R1933-F1935 VanDerWaalsContact C-N 3.31Å; R1933-F1935 PolarHBondContact O-N 3.07Å; R1933-W1936 PolarHBondContact O-N 3.12Å; R1933-T1937 HydrophobicContact CG-CG2 4.47Å; R1933-T1937 WeakPolarHBondContact O-CB 3.23Å; R1933-T1937 VanDerWaalsContact O-CG2 3.29Å; R1933-T1937 WeakPolarHBondContact O-CG2 3.41Å; R1933-T1937 PolarHBondContact O-N 3.25Å; R1933-T1937 PolarHBondContact O-OG1 3.21Å; R1933-E1979 IonicContact CZ-OE1 3.26Å; R1933-E1979 IonicContact NH2-OE1 2.96Å; R1933-E1979 PolarHBondContact NH2-OE1 3.15Å; R1933-Y1983 HydrophobicContact CG-CD2 4.13Å; R1933-Y1983 HydrophobicContact CG-CG 4.16Å; R1933-Y1983 VanDerWaalsContact CZ-CZ 3.47Å; R1933-Y1983 VanDerWaalsContact NE-CE2 3.32Å; R1933-Y1983 PolarHBondContact NH1-OH 3.27Å; R1933-Y1983 VanDerWaalsContact NH2-CE2 3.31Å; R1933-Y1983 PolarHBondContact NH2-OH 3.47Å |
| 1934 | E | 85.4 | Confident | 84.1 | Confident | 122.75 Ų | 122.75 | 40.4 Ų | 40.4 | 57% | 0.574 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -60.7 | -39.1 | 175.4 | -74.5 | -179.5 | 179.6 | 0 | 0 | 112.3 | N1930 E1931 T1937 S1938 | N1930-E1934 PolarHBondContact ND2-OE1 3.3Å; N1930-E1934 VanDerWaalsContact ND2-OE1 3.08Å; N1930-E1934 WeakPolarHBondContact O-CG 3.46Å; N1930-E1934 PolarHBondContact O-N 3.05Å; E1931-E1934 PolarHBondContact O-N 3.17Å; E1934-T1937 VanDerWaalsContact CA-OG1 3.3Å; E1934-T1937 WeakPolarHBondContact CA-OG1 3.37Å; E1934-T1937 PolarHBondContact O-N 3.27Å; E1934-T1937 PolarHBondContact O-OG1 3.18Å; E1934-S1938 VanDerWaalsContact O-CB 3.29Å; E1934-S1938 WeakPolarHBondContact O-CB 3.43Å; E1934-S1938 PolarHBondContact O-N 3.14Å; E1934-S1938 PolarHBondContact O-OG 3.15Å |
| 1935 | F | 88.9 | Confident | 83.6 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 13% | 0.127 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -52.7 | 173.6 | 170.6 | -89.9 | 0 | 0 | 0 | 111.9 | L1729 M1732 V1733 L1925 E1931 T1932 R1933 T1937 S1938 L1939 | L1729-F1935 WeakPolarHBondContact O-CE2 3.28Å; M1732-F1935 HydrophobicContact CB-CE2 4.18Å; M1732-F1935 HydrophobicContact CB-CZ 4.25Å; M1732-F1935 HydrophobicContact CE-CE1 4.46Å; M1732-F1935 HydrophobicContact CE-CZ 3.73Å; M1732-F1935 HydrophobicContact SD-CE2 4.5Å; M1732-F1935 HydrophobicContact SD-CZ 4.09Å; V1733-F1935 HydrophobicContact CG2-CD2 3.41Å; V1733-F1935 VanDerWaalsContact CG2-CD2 3.45Å; V1733-F1935 HydrophobicContact CG2-CE2 3.38Å; V1733-F1935 VanDerWaalsContact CG2-CE2 3.43Å; V1733-F1935 HydrophobicContact CG2-CG 4.4Å; V1733-F1935 HydrophobicContact CG2-CZ 4.35Å; L1925-F1935 HydrophobicContact CD2-CD1 4.03Å; L1925-F1935 HydrophobicContact CD2-CE1 3.37Å; L1925-F1935 VanDerWaalsContact CD2-CE1 3.46Å; L1925-F1935 HydrophobicContact CD2-CE2 4.45Å; L1925-F1935 HydrophobicContact CD2-CZ 3.66Å; E1931-F1935 PolarHBondContact O-N 3.27Å; T1932-F1935 WeakPolarHBondContact O-CB 3.31Å; T1932-F1935 PolarHBondContact O-N 3.23Å; R1933-F1935 VanDerWaalsContact C-N 3.31Å; R1933-F1935 PolarHBondContact O-N 3.07Å; F1935-T1937 VanDerWaalsContact C-N 3.33Å; F1935-T1937 PolarHBondContact O-N 3.07Å; F1935-S1938 PolarHBondContact O-N 3.3Å; F1935-L1939 PolarHBondContact O-N 3.07Å |
| 1936 | W | 88.7 | Confident | 82.8 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 179.3 | -75.1 | 106.4 | 0 | 0 | 0 | 112.1 | L1925 T1932 R1933 S1938 L1939 A1940 L1964 V1965 M1977 H1980 L1981 F1984 | L1925-W1936 PolarHBondContact O-NE1 3.23Å; T1932-W1936 PolarHBondContact O-N 3.28Å; T1932-W1936 VanDerWaalsContact O-N 3.15Å; R1933-W1936 PolarHBondContact O-N 3.12Å; W1936-S1938 VanDerWaalsContact C-N 3.31Å; W1936-S1938 PolarHBondContact O-N 3.15Å; W1936-L1939 HydrophobicContact CE3-CD2 4.07Å; W1936-L1939 HydrophobicContact CZ3-CD2 4.03Å; W1936-L1939 PolarHBondContact O-N 3.16Å; W1936-A1940 WeakPolarHBondContact O-CB 3.27Å; W1936-A1940 PolarHBondContact O-N 3.17Å; W1936-L1964 HydrophobicContact CZ3-CD2 4.47Å; W1936-V1965 HydrophobicContact CZ3-CG2 4.49Å; W1936-M1977 HydrophobicContact CH2-CE 4.13Å; W1936-M1977 HydrophobicContact CZ2-CE 3.66Å; W1936-M1977 HydrophobicContact CZ2-SD 4.48Å; W1936-H1980 AromaticContact CD1-CG 3.85Å; W1936-H1980 HydrophobicContact CG-CB 4.15Å; W1936-L1981 HydrophobicContact CE3-CD2 4.5Å; W1936-L1981 HydrophobicContact CZ3-CD2 4.28Å; W1936-F1984 HydrophobicContact CB-CB 4.41Å; W1936-F1984 HydrophobicContact CB-CD2 4.45Å; W1936-F1984 HydrophobicContact CE3-CB 4.4Å; W1936-F1984 AromaticContact CE3-CD2 3.83Å; W1936-F1984 HydrophobicContact CE3-CD2 3.83Å; W1936-F1984 HydrophobicContact CE3-CE2 4.29Å; W1936-F1984 HydrophobicContact CE3-CG 4.31Å; W1936-F1984 HydrophobicContact CZ3-CD2 4.46Å; W1936-F1984 WeakPolarHBondContact O-CD2 3.38Å |
| 1937 | T | 86.1 | Confident | 81.7 | Confident | 29.25 Ų | 29.25 | 40.5 Ų | 40.5 | 18% | 0.179 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -37.1 | 176.1 | 41.9 | 0 | 0 | 0 | 0 | 112.2 | R1933 E1934 F1935 A1940 K1941 T1987 | R1933-T1937 HydrophobicContact CG-CG2 4.47Å; R1933-T1937 WeakPolarHBondContact O-CB 3.23Å; R1933-T1937 VanDerWaalsContact O-CG2 3.29Å; R1933-T1937 WeakPolarHBondContact O-CG2 3.41Å; R1933-T1937 PolarHBondContact O-N 3.25Å; R1933-T1937 PolarHBondContact O-OG1 3.21Å; E1934-T1937 VanDerWaalsContact CA-OG1 3.3Å; E1934-T1937 WeakPolarHBondContact CA-OG1 3.37Å; E1934-T1937 PolarHBondContact O-N 3.27Å; E1934-T1937 PolarHBondContact O-OG1 3.18Å; F1935-T1937 VanDerWaalsContact C-N 3.33Å; F1935-T1937 PolarHBondContact O-N 3.07Å; T1937-A1940 PolarHBondContact O-N 3Å; T1937-K1941 WeakPolarHBondContact O-CG 3.39Å; T1937-K1941 PolarHBondContact O-N 3.04Å; T1937-T1987 HydrophobicContact CG2-CG2 3.85Å; T1937-T1987 WeakPolarHBondContact CG2-OG1 3Å |
| 1938 | S | 85.5 | Confident | 80.8 | Confident | 40.25 Ų | 40.25 | 47.6 Ų | 47.6 | 28% | 0.281 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.7 | -41.8 | 177.1 | -78 | 0 | 0 | 0 | 0 | 111.4 | V1733 E1934 F1935 W1936 A1940 K1941 Q1942 | V1733-S1938 WeakPolarHBondContact CG1-OG 3.44Å; E1934-S1938 VanDerWaalsContact O-CB 3.29Å; E1934-S1938 WeakPolarHBondContact O-CB 3.43Å; E1934-S1938 PolarHBondContact O-N 3.14Å; E1934-S1938 PolarHBondContact O-OG 3.15Å; F1935-S1938 PolarHBondContact O-N 3.3Å; W1936-S1938 VanDerWaalsContact C-N 3.31Å; W1936-S1938 PolarHBondContact O-N 3.15Å; S1938-A1940 VanDerWaalsContact C-N 3.33Å; S1938-A1940 PolarHBondContact O-N 3.23Å; S1938-K1941 WeakPolarHBondContact O-CB 3.47Å; S1938-K1941 PolarHBondContact O-N 3.03Å; S1938-Q1942 WeakPolarHBondContact O-CG 3.42Å; S1938-Q1942 PolarHBondContact O-N 3.39Å; S1938-Q1942 VanDerWaalsContact O-N 3.1Å |
| 1939 | L | 86.6 | Confident | 80 | Confident | 4.75 Ų | 4.75 | 46.5 Ų | 46.5 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 172.2 | -174.2 | 68.4 | 0 | 0 | 0 | 111.3 | F1935 W1936 K1941 Q1942 L1943 I1961 L1964 F1984 | F1935-L1939 PolarHBondContact O-N 3.07Å; W1936-L1939 HydrophobicContact CE3-CD2 4.07Å; W1936-L1939 HydrophobicContact CZ3-CD2 4.03Å; W1936-L1939 PolarHBondContact O-N 3.16Å; L1939-K1941 VanDerWaalsContact C-N 3.34Å; L1939-K1941 PolarHBondContact O-N 3.21Å; L1939-Q1942 WeakPolarHBondContact O-CB 3.37Å; L1939-Q1942 PolarHBondContact O-N 3.21Å; L1939-Q1942 VanDerWaalsContact O-N 3.15Å; L1939-L1943 HydrophobicContact CG-CD1 4.45Å; L1939-L1943 WeakPolarHBondContact O-CG 3.41Å; L1939-L1943 PolarHBondContact O-N 3.24Å; L1939-I1961 HydrophobicContact CD1-CD1 4.47Å; L1939-L1964 HydrophobicContact CD2-CD2 4.07Å; L1939-F1984 HydrophobicContact CB-CE2 4.46Å; L1939-F1984 HydrophobicContact CD2-CE2 4.19Å; L1939-F1984 HydrophobicContact CG-CE2 4.26Å |
| 1940 | A | 85.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1936 T1937 S1938 Q1942 L1943 L1944 F1984 T1987 L1988 | W1936-A1940 WeakPolarHBondContact O-CB 3.27Å; W1936-A1940 PolarHBondContact O-N 3.17Å; T1937-A1940 PolarHBondContact O-N 3Å; S1938-A1940 VanDerWaalsContact C-N 3.33Å; S1938-A1940 PolarHBondContact O-N 3.23Å; A1940-Q1942 VanDerWaalsContact C-N 3.3Å; A1940-Q1942 PolarHBondContact O-N 3.21Å; A1940-L1943 PolarHBondContact O-N 3.19Å; A1940-L1944 WeakPolarHBondContact O-CG 3.35Å; A1940-L1944 PolarHBondContact O-N 3.17Å; A1940-L1944 VanDerWaalsContact O-N 3.13Å; A1940-F1984 HydrophobicContact CB-CD2 3.68Å; A1940-F1984 HydrophobicContact CB-CE2 3.83Å; A1940-F1984 HydrophobicContact CB-CG 4.32Å; A1940-T1987 HydrophobicContact CB-CG2 3.79Å; A1940-L1988 HydrophobicContact CB-CD2 4.01Å; A1940-L1988 HydrophobicContact CB-CG 4.14Å; A1940-L1988 WeakPolarHBondContact O-CD2 3.35Å |
| 1941 | K | 83.5 | Confident | 77.5 | Confident | 89.75 Ų | 89.75 | 51.1 Ų | 51.1 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.3 | -41.3 | 175.6 | -72.4 | 172.8 | -175 | 176.2 | 0 | 111.9 | T1937 S1938 L1939 L1943 L1944 Y1945 T1987 L1997 | T1937-K1941 WeakPolarHBondContact O-CG 3.39Å; T1937-K1941 PolarHBondContact O-N 3.04Å; S1938-K1941 WeakPolarHBondContact O-CB 3.47Å; S1938-K1941 PolarHBondContact O-N 3.03Å; L1939-K1941 VanDerWaalsContact C-N 3.34Å; L1939-K1941 PolarHBondContact O-N 3.21Å; K1941-L1943 VanDerWaalsContact C-N 3.34Å; K1941-L1943 PolarHBondContact O-N 3.26Å; K1941-L1944 WeakPolarHBondContact O-CB 3.26Å; K1941-L1944 PolarHBondContact O-N 3.11Å; K1941-Y1945 WeakPolarHBondContact O-CD2 3.43Å; K1941-Y1945 PolarHBondContact O-N 3.23Å; K1941-Y1945 VanDerWaalsContact O-N 3.17Å; K1941-T1987 HydrophobicContact CG-CG2 4.16Å; K1941-L1997 HydrophobicContact CD-CD2 4.32Å; K1941-L1997 HydrophobicContact CG-CD1 4.18Å; K1941-L1997 HydrophobicContact CG-CD2 4.23Å |
| 1942 | Q | 80.4 | Confident | 76.3 | Confident | 38.5 Ų | 38.5 | 53.8 Ų | 53.8 | 18% | 0.18 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.5 | -68.5 | -175.3 | -11.9 | 0 | 0 | 112 | M1732 V1733 S1734 S1938 L1939 A1940 L1944 Y1945 I1946 | M1732-Q1942 PolarHBondContact O-OE1 3.24Å; M1732-Q1942 VanDerWaalsContact O-OE1 3.11Å; V1733-Q1942 PolarHBondContact O-NE2 3.33Å; S1734-Q1942 VanDerWaalsContact C-NE2 3.32Å; S1734-Q1942 PolarHBondContact O-NE2 3.39Å; S1734-Q1942 PolarHBondContact O-OE1 3.05Å; S1938-Q1942 WeakPolarHBondContact O-CG 3.42Å; S1938-Q1942 PolarHBondContact O-N 3.39Å; S1938-Q1942 VanDerWaalsContact O-N 3.1Å; L1939-Q1942 WeakPolarHBondContact O-CB 3.37Å; L1939-Q1942 PolarHBondContact O-N 3.21Å; L1939-Q1942 VanDerWaalsContact O-N 3.15Å; A1940-Q1942 VanDerWaalsContact C-N 3.3Å; A1940-Q1942 PolarHBondContact O-N 3.21Å; Q1942-L1944 VanDerWaalsContact C-N 3.28Å; Q1942-L1944 PolarHBondContact O-N 3.11Å; Q1942-Y1945 PolarHBondContact O-N 3.15Å; Q1942-Y1945 VanDerWaalsContact O-N 3.13Å; Q1942-I1946 WeakPolarHBondContact O-CG1 3.27Å; Q1942-I1946 PolarHBondContact O-N 3.23Å; Q1942-I1946 VanDerWaalsContact O-N 3.14Å |
| 1943 | L | 81.5 | Confident | 75.2 | Confident | 1.5 Ų | 1.5 | 59.4 Ų | 59.4 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -36 | 178.4 | -66.2 | 179.7 | 0 | 0 | 0 | 113 | F1741 L1939 A1940 K1941 Y1945 I1946 I1961 F1984 L1988 W2010 | F1741-L1943 HydrophobicContact CE1-CD2 3.93Å; F1741-L1943 HydrophobicContact CE2-CD2 4.48Å; F1741-L1943 HydrophobicContact CZ-CD2 3.82Å; L1939-L1943 HydrophobicContact CG-CD1 4.45Å; L1939-L1943 WeakPolarHBondContact O-CG 3.41Å; L1939-L1943 PolarHBondContact O-N 3.24Å; A1940-L1943 PolarHBondContact O-N 3.19Å; K1941-L1943 VanDerWaalsContact C-N 3.34Å; K1941-L1943 PolarHBondContact O-N 3.26Å; L1943-Y1945 VanDerWaalsContact C-N 3.31Å; L1943-Y1945 PolarHBondContact O-N 3.01Å; L1943-I1946 HydrophobicContact CB-CD1 4.28Å; L1943-I1946 HydrophobicContact CD2-CD1 3.6Å; L1943-I1946 WeakPolarHBondContact O-CD1 3.33Å; L1943-I1946 WeakPolarHBondContact O-CG1 3.39Å; L1943-I1946 WeakPolarHBondContact O-CG2 3.48Å; L1943-I1946 PolarHBondContact O-N 3.11Å; L1943-I1961 HydrophobicContact CD1-CD1 4.39Å; L1943-I1961 HydrophobicContact CD1-CG1 4.29Å; L1943-I1961 HydrophobicContact CD1-CG2 4.38Å; L1943-I1961 HydrophobicContact CD2-CD1 3.98Å; L1943-I1961 HydrophobicContact CD2-CG1 3.9Å; L1943-F1984 HydrophobicContact CD1-CE1 4.5Å; L1943-F1984 HydrophobicContact CD1-CE2 3.93Å; L1943-F1984 HydrophobicContact CD1-CZ 3.45Å; L1943-F1984 VanDerWaalsContact CD1-CZ 3.44Å; L1943-L1988 HydrophobicContact CB-CD2 4.27Å; L1943-W2010 HydrophobicContact CB-CD2 4.3Å; L1943-W2010 HydrophobicContact CB-CG 4.27Å; L1943-W2010 HydrophobicContact CD1-CD2 4.17Å; L1943-W2010 HydrophobicContact CD1-CE3 4.15Å; L1943-W2010 HydrophobicContact CD1-CG 4.32Å; L1943-W2010 HydrophobicContact CD2-CD2 4.28Å; L1943-W2010 HydrophobicContact CD2-CE3 4.2Å; L1943-W2010 HydrophobicContact CD2-CH2 4.04Å; L1943-W2010 HydrophobicContact CD2-CZ2 3.88Å; L1943-W2010 HydrophobicContact CD2-CZ3 4.27Å; L1943-W2010 HydrophobicContact CG-CD2 4.48Å; L1943-W2010 PolarHBondContact O-NE1 2.95Å; L1943-W2010 VanDerWaalsContact O-NE1 3.08Å |
| 1944 | L | 77 | Confident | 74.3 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 175.7 | -71.1 | 167.3 | 0 | 0 | 0 | 112.3 | A1940 K1941 Q1942 I1946 H1947 T1987 L1988 I1990 L1997 A2003 I2006 | A1940-L1944 WeakPolarHBondContact O-CG 3.35Å; A1940-L1944 PolarHBondContact O-N 3.17Å; A1940-L1944 VanDerWaalsContact O-N 3.13Å; K1941-L1944 WeakPolarHBondContact O-CB 3.26Å; K1941-L1944 PolarHBondContact O-N 3.11Å; Q1942-L1944 VanDerWaalsContact C-N 3.28Å; Q1942-L1944 PolarHBondContact O-N 3.11Å; L1944-I1946 VanDerWaalsContact C-N 3.32Å; L1944-I1946 PolarHBondContact O-N 2.93Å; L1944-H1947 PolarHBondContact O-CE1 3.33Å; L1944-H1947 PolarHBondContact O-ND1 3.18Å; L1944-H1947 VanDerWaalsContact O-ND1 3.14Å; L1944-T1987 WeakPolarHBondContact CD1-O 3.31Å; L1944-L1988 HydrophobicContact CD1-CD2 4.45Å; L1944-L1988 HydrophobicContact CD2-CD2 3.99Å; L1944-L1988 WeakPolarHBondContact CD2-O 3.25Å; L1944-L1988 HydrophobicContact CG-CD2 3.87Å; L1944-I1990 HydrophobicContact CB-CD1 4.44Å; L1944-I1990 HydrophobicContact CD1-CD1 3.69Å; L1944-I1990 HydrophobicContact CD1-CG1 3.68Å; L1944-I1990 HydrophobicContact CD2-CD1 3.93Å; L1944-I1990 HydrophobicContact CD2-CG1 4.22Å; L1944-I1990 HydrophobicContact CG-CD1 4.24Å; L1944-I1990 HydrophobicContact CG-CG1 4.46Å; L1944-L1997 HydrophobicContact CD1-CD1 4.38Å; L1944-A2003 HydrophobicContact CB-CB 4.48Å; L1944-I2006 VanDerWaalsContact O-CD1 3.23Å; L1944-I2006 WeakPolarHBondContact O-CD1 2.77Å |
| 1945 | Y | 74.5 | Confident | 73.4 | Confident | 55.75 Ų | 55.75 | 58.6 Ų | 58.6 | 22% | 0.219 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -92.2 | 4.8 | -176.2 | -61.1 | -62.1 | 0 | 0 | 0 | 114.5 | K1941 Q1942 L1943 H1947 R1948 P1998 A2003 | K1941-Y1945 WeakPolarHBondContact O-CD2 3.43Å; K1941-Y1945 PolarHBondContact O-N 3.23Å; K1941-Y1945 VanDerWaalsContact O-N 3.17Å; Q1942-Y1945 PolarHBondContact O-N 3.15Å; Q1942-Y1945 VanDerWaalsContact O-N 3.13Å; L1943-Y1945 VanDerWaalsContact C-N 3.31Å; L1943-Y1945 PolarHBondContact O-N 3.01Å; Y1945-H1947 PolarHBondContact O-N 3.21Å; Y1945-H1947 VanDerWaalsContact O-N 3.15Å; Y1945-R1948 VanDerWaalsContact CD1-CZ 3.45Å; Y1945-R1948 WeakPolarHBondContact O-CB 3.39Å; Y1945-R1948 PolarHBondContact O-N 3.17Å; Y1945-R1948 VanDerWaalsContact O-N 3.09Å; Y1945-P1998 WeakPolarHBondContact OH-CD 3.32Å; Y1945-P1998 PolarHBondContact OH-O 3.46Å; Y1945-A2003 HydrophobicContact CD1-CB 4.42Å; Y1945-A2003 HydrophobicContact CE1-CB 4Å |
| 1946 | I | 72.1 | Confident | 72.7 | Confident | 8.25 Ų | 8.25 | 60.1 Ų | 60.1 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -56 | -33.3 | 178.5 | -88.3 | 170.8 | 0 | 0 | 0 | 112.5 | F1741 Q1942 L1943 L1944 R1948 S1949 Y1957 W2010 W2074 | F1741-I1946 HydrophobicContact CE1-CD1 4.3Å; F1741-I1946 HydrophobicContact CE2-CD1 3.82Å; F1741-I1946 VanDerWaalsContact CE2-CD1 3.45Å; F1741-I1946 HydrophobicContact CE2-CG1 4.15Å; F1741-I1946 HydrophobicContact CZ-CD1 3.39Å; F1741-I1946 VanDerWaalsContact CZ-CD1 3.43Å; F1741-I1946 HydrophobicContact CZ-CG1 4.09Å; Q1942-I1946 WeakPolarHBondContact O-CG1 3.27Å; Q1942-I1946 PolarHBondContact O-N 3.23Å; Q1942-I1946 VanDerWaalsContact O-N 3.14Å; L1943-I1946 HydrophobicContact CB-CD1 4.28Å; L1943-I1946 HydrophobicContact CD2-CD1 3.6Å; L1943-I1946 WeakPolarHBondContact O-CD1 3.33Å; L1943-I1946 WeakPolarHBondContact O-CG1 3.39Å; L1943-I1946 WeakPolarHBondContact O-CG2 3.48Å; L1943-I1946 PolarHBondContact O-N 3.11Å; L1944-I1946 VanDerWaalsContact C-N 3.32Å; L1944-I1946 PolarHBondContact O-N 2.93Å; I1946-R1948 PolarHBondContact O-N 3.19Å; I1946-R1948 VanDerWaalsContact O-N 3.15Å; I1946-S1949 WeakPolarHBondContact O-CB 3.42Å; I1946-S1949 PolarHBondContact O-N 3.12Å; I1946-S1949 PolarHBondContact O-OG 3.17Å; I1946-Y1957 HydrophobicContact CD1-CD2 3.88Å; I1946-Y1957 HydrophobicContact CD1-CG 4.35Å; I1946-Y1957 HydrophobicContact CG2-CD2 4.44Å; I1946-W2010 HydrophobicContact CD1-CH2 4.48Å; I1946-W2010 HydrophobicContact CD1-CZ2 3.81Å; I1946-W2010 HydrophobicContact CG2-CZ2 4.38Å; I1946-W2074 HydrophobicContact CG2-CH2 4.38Å |
| 1947 | H | 65 | Low | 72 | Confident | 29.25 Ų | 29.25 | 60.4 Ų | 60.4 | 14% | 0.135 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -61 | -16.3 | -179.6 | 71.1 | -87.7 | 0 | 0 | 0 | 113.7 | L1944 Y1945 S1949 F1951 D2000 I2006 A2068 V2072 W2074 | L1944-H1947 PolarHBondContact O-CE1 3.33Å; L1944-H1947 PolarHBondContact O-ND1 3.18Å; L1944-H1947 VanDerWaalsContact O-ND1 3.14Å; Y1945-H1947 PolarHBondContact O-N 3.21Å; Y1945-H1947 VanDerWaalsContact O-N 3.15Å; H1947-S1949 VanDerWaalsContact C-N 3.32Å; H1947-F1951 HydrophobicContact CB-CE1 4.15Å; H1947-F1951 HydrophobicContact CB-CZ 4.14Å; H1947-F1951 WeakPolarHBondContact O-CZ 3.46Å; H1947-D2000 IonicContact CE1-OD2 3.53Å; H1947-D2000 PolarHBondContact CE1-OD2 3.26Å; H1947-D2000 VanDerWaalsContact CE1-OD2 3.28Å; H1947-D2000 IonicContact NE2-OD2 3.22Å; H1947-D2000 PolarHBondContact NE2-OD2 3.41Å; H1947-I2006 HydrophobicContact CB-CD1 3.53Å; H1947-I2006 VanDerWaalsContact CB-CD1 3.44Å; H1947-I2006 VanDerWaalsContact CG-CD1 3.41Å; H1947-I2006 WeakPolarHBondContact ND1-CD1 3.3Å; H1947-A2068 HydrophobicContact CB-CB 3.49Å; H1947-A2068 VanDerWaalsContact CB-CB 3.49Å; H1947-V2072 HydrophobicContact CB-CG2 4.46Å; H1947-W2074 HydrophobicContact CB-CH2 3.99Å; H1947-W2074 HydrophobicContact CB-CZ2 4.25Å |
| 1948 | R | 65.9 | Low | 71.6 | Confident | 149.25 Ų | 149.25 | 59.6 Ų | 59.6 | 56% | 0.563 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -83.2 | -11 | 174.5 | -57.2 | -176.5 | 179.2 | 178 | -2.7 | 112.8 | Y1945 I1946 D2000 | Y1945-R1948 VanDerWaalsContact CD1-CZ 3.45Å; Y1945-R1948 WeakPolarHBondContact O-CB 3.39Å; Y1945-R1948 PolarHBondContact O-N 3.17Å; Y1945-R1948 VanDerWaalsContact O-N 3.09Å; I1946-R1948 PolarHBondContact O-N 3.19Å; I1946-R1948 VanDerWaalsContact O-N 3.15Å; R1948-D2000 IonicContact CZ-OD2 2.95Å; R1948-D2000 IonicContact NE-OD2 3.36Å; R1948-D2000 IonicContact NH2-OD2 3.6Å; R1948-D2000 PolarHBondContact NH2-OD2 3.27Å |
| 1949 | S | 62.1 | Low | 71.3 | Confident | 28.25 Ų | 28.25 | 63.7 Ų | 63.7 | 20% | 0.198 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -82.8 | 146.9 | 175.9 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | I1946 H1947 F1951 | I1946-S1949 WeakPolarHBondContact O-CB 3.42Å; I1946-S1949 PolarHBondContact O-N 3.12Å; I1946-S1949 PolarHBondContact O-OG 3.17Å; H1947-S1949 VanDerWaalsContact C-N 3.32Å; S1949-F1951 VanDerWaalsContact CB-CD2 3.49Å; S1949-F1951 PolarHBondContact O-N 3.18Å; S1949-F1951 WeakPolarHBondContact OG-CD2 3.49Å |
| 1950 | H | 54.4 | Low | 71.1 | Confident | 177.5 Ų | 177.5 | 63.5 Ų | 63.5 | 82% | 0.822 | 29% | 0.286 | S | S | * | . | trans | -66.4 | 78.8 | 176.3 | -71.1 | -62.7 | 0 | 0 | 0 | 112.3 | N1952 | H1950-N1952 PolarHBondContact O-N 3.05Š| ||
| 1951 | F | 53.3 | Low | 71 | Confident | 77.75 Ų | 77.75 | 63.5 Ų | 63.5 | 34% | 0.341 | 29% | 0.286 | S | S | . | . | trans | -113.1 | 110.9 | -178.4 | -70.6 | -68.1 | 0 | 0 | 0 | 115.8 | T1737 E1738 H1947 S1949 R1953 Y1957 A2068 V2072 | T1737-F1951 VanDerWaalsContact OG1-CE2 3.22Å; T1737-F1951 WeakPolarHBondContact OG1-CE2 3.45Å; E1738-F1951 VanDerWaalsContact CD-CE1 3.4Å; E1738-F1951 VanDerWaalsContact CD-CZ 3.49Å; E1738-F1951 HydrophobicContact CG-CD1 4.3Å; E1738-F1951 HydrophobicContact CG-CD2 4.49Å; E1738-F1951 HydrophobicContact CG-CE1 3.78Å; E1738-F1951 HydrophobicContact CG-CE2 3.93Å; E1738-F1951 HydrophobicContact CG-CZ 3.51Å; E1738-F1951 VanDerWaalsContact CG-CZ 3.41Å; E1738-F1951 WeakPolarHBondContact OE1-CD1 3.46Å; E1738-F1951 WeakPolarHBondContact OE1-CE1 3.28Å; E1738-F1951 WeakPolarHBondContact OE1-CE2 3.49Å; E1738-F1951 WeakPolarHBondContact OE1-CZ 3.26Å; H1947-F1951 HydrophobicContact CB-CE1 4.15Å; H1947-F1951 HydrophobicContact CB-CZ 4.14Å; H1947-F1951 WeakPolarHBondContact O-CZ 3.46Å; S1949-F1951 VanDerWaalsContact CB-CD2 3.49Å; S1949-F1951 PolarHBondContact O-N 3.18Å; S1949-F1951 WeakPolarHBondContact OG-CD2 3.49Å; F1951-R1953 PolarHBondContact O-N 3.11Å; F1951-Y1957 HydrophobicContact CB-CE2 4.01Å; F1951-Y1957 HydrophobicContact CD2-CE2 4.44Å; F1951-Y1957 HydrophobicContact CG-CE2 4.32Å; F1951-A2068 HydrophobicContact CE2-CB 4.45Å; F1951-V2072 HydrophobicContact CD1-CG2 3.42Å; F1951-V2072 VanDerWaalsContact CD1-CG2 3.42Å; F1951-V2072 HydrophobicContact CE1-CG2 3.21Å; F1951-V2072 HydrophobicContact CG-CG2 4.42Å; F1951-V2072 HydrophobicContact CZ-CG2 4.06Å | ||
| 1952 | N | 55.8 | Low | 71.1 | Confident | 168.25 Ų | 168.25 | 61.5 Ų | 61.5 | 90% | 0.9 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 5.1 | 176.4 | -71.8 | -15.5 | 0 | 0 | 0 | 114.8 | H1950 Q1954 | H1950-N1952 PolarHBondContact O-N 3.05Å; N1952-Q1954 VanDerWaalsContact C-N 3.34Å; N1952-Q1954 PolarHBondContact O-N 3.19Å |
| 1953 | R | 63.4 | Low | 71.2 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 45% | 0.445 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 30.7 | -173.1 | -67.8 | -169 | -178.2 | 179.5 | 5.6 | 114.2 | E1691 F1951 E1955 Y1956 Y1957 | E1691-R1953 IonicContact OE1-CZ 3.9Å; E1691-R1953 IonicContact OE1-NH1 2.78Å; E1691-R1953 PolarHBondContact OE1-NH1 3.15Å; F1951-R1953 PolarHBondContact O-N 3.11Å; R1953-E1955 VanDerWaalsContact C-N 3.3Å; R1953-E1955 PolarHBondContact O-N 3.19Å; R1953-Y1956 WeakPolarHBondContact O-CB 3.46Å; R1953-Y1956 PolarHBondContact O-N 3.12Å; R1953-Y1956 VanDerWaalsContact O-N 3.17Å; R1953-Y1957 HydrophobicContact CB-CE1 4.03Å; R1953-Y1957 HydrophobicContact CB-CE2 4.29Å; R1953-Y1957 WeakPolarHBondContact O-CD2 3.4Å; R1953-Y1957 PolarHBondContact O-N 2.96Å |
| 1954 | Q | 65 | Low | 71.6 | Confident | 38.25 Ų | 38.25 | 61.1 Ų | 61.1 | 18% | 0.179 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57 | -43.4 | -176.5 | -78.3 | -174.7 | -6.9 | 0 | 0 | 113.1 | N1952 Y1956 Y1957 T1958 H2071 V2072 W2074 | N1952-Q1954 VanDerWaalsContact C-N 3.34Å; N1952-Q1954 PolarHBondContact O-N 3.19Å; Q1954-Y1956 VanDerWaalsContact C-N 3.27Å; Q1954-Y1956 PolarHBondContact O-N 3.3Å; Q1954-Y1957 WeakPolarHBondContact O-CB 3.48Å; Q1954-Y1957 PolarHBondContact O-N 3.16Å; Q1954-Y1957 VanDerWaalsContact O-N 3.11Å; Q1954-T1958 PolarHBondContact O-N 3.35Å; Q1954-T1958 PolarHBondContact O-OG1 3.17Å; Q1954-T1958 VanDerWaalsContact O-OG1 3.08Å; Q1954-H2071 PolarHBondContact OE1-CD2 3.07Å; Q1954-H2071 PolarHBondContact OE1-NE2 3.23Å; Q1954-H2071 PolarHBondContact OE1-O 3.03Å; Q1954-V2072 VanDerWaalsContact OE1-CA 3.23Å; Q1954-W2074 VanDerWaalsContact C-CE2 3.44Å; Q1954-W2074 VanDerWaalsContact CA-CZ2 3.41Å; Q1954-W2074 VanDerWaalsContact CB-CE2 3.49Å; Q1954-W2074 HydrophobicContact CB-CH2 4.05Å; Q1954-W2074 HydrophobicContact CB-CZ2 3.1Å; Q1954-W2074 HydrophobicContact CG-CH2 3.85Å; Q1954-W2074 HydrophobicContact CG-CZ2 3.4Å; Q1954-W2074 VanDerWaalsContact CG-CZ2 3.4Å; Q1954-W2074 WeakPolarHBondContact O-CZ2 3.36Å |
| 1955 | E | 66.8 | Low | 72.2 | Confident | 146 Ų | 146 | 61.2 Ų | 61.2 | 68% | 0.682 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -56 | -37.8 | 177.8 | -64.2 | 180 | 170.4 | 0 | 0 | 113.3 | R1953 Y1957 T1958 F1959 W2074 | R1953-E1955 VanDerWaalsContact C-N 3.3Å; R1953-E1955 PolarHBondContact O-N 3.19Å; E1955-Y1957 VanDerWaalsContact C-N 3.3Å; E1955-Y1957 PolarHBondContact O-N 2.91Å; E1955-T1958 PolarHBondContact O-N 2.87Å; E1955-F1959 VanDerWaalsContact O-CB 3.26Å; E1955-F1959 WeakPolarHBondContact O-CB 3.33Å; E1955-F1959 PolarHBondContact O-N 3.24Å; E1955-W2074 VanDerWaalsContact CA-NE1 3.33Å |
| 1956 | Y | 72.4 | Confident | 72.8 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 24% | 0.235 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 178.4 | 176 | -100 | 0 | 0 | 0 | 112.1 | R1745 R1953 Q1954 F1959 T1960 | R1745-Y1956 VanDerWaalsContact CD-OH 3.25Å; R1745-Y1956 WeakPolarHBondContact CD-OH 3.2Å; R1745-Y1956 PolarHBondContact NE-OH 2.91Å; R1745-Y1956 PolarHBondContact NH1-OH 3.09Å; R1953-Y1956 WeakPolarHBondContact O-CB 3.46Å; R1953-Y1956 PolarHBondContact O-N 3.12Å; R1953-Y1956 VanDerWaalsContact O-N 3.17Å; Q1954-Y1956 VanDerWaalsContact C-N 3.27Å; Q1954-Y1956 PolarHBondContact O-N 3.3Å; Y1956-F1959 PolarHBondContact O-N 3.5Å; Y1956-T1960 WeakPolarHBondContact O-CB 3.45Å; Y1956-T1960 PolarHBondContact O-N 3.24Å; Y1956-T1960 PolarHBondContact O-OG1 3.14Å |
| 1957 | Y | 76 | Confident | 73.5 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69 | -41.6 | 177.4 | -58.9 | -36 | 0 | 0 | 0 | 111.6 | F1741 I1946 F1951 R1953 Q1954 E1955 F1959 T1960 I1961 | F1741-Y1957 HydrophobicContact CB-CD1 3.58Å; F1741-Y1957 HydrophobicContact CB-CE1 3.88Å; F1741-Y1957 HydrophobicContact CB-CG 4.35Å; F1741-Y1957 AromaticContact CD1-CD1 3.83Å; F1741-Y1957 HydrophobicContact CD1-CD1 3.92Å; F1741-Y1957 HydrophobicContact CD1-CG 4.17Å; F1741-Y1957 AromaticContact CD2-CD1 3.32Å; F1741-Y1957 HydrophobicContact CD2-CD1 3.32Å; F1741-Y1957 HydrophobicContact CD2-CD2 4.21Å; F1741-Y1957 AromaticContact CD2-CE1 3.64Å; F1741-Y1957 HydrophobicContact CD2-CE1 3.64Å; F1741-Y1957 HydrophobicContact CD2-CE2 4.35Å; F1741-Y1957 AromaticContact CD2-CG 3.65Å; F1741-Y1957 HydrophobicContact CD2-CG 3.65Å; F1741-Y1957 VanDerWaalsContact CD2-CG 3.42Å; F1741-Y1957 HydrophobicContact CE1-CD1 4.37Å; F1741-Y1957 HydrophobicContact CE1-CG 4.32Å; F1741-Y1957 AromaticContact CE2-CD1 3.98Å; F1741-Y1957 HydrophobicContact CE2-CD1 4.03Å; F1741-Y1957 HydrophobicContact CE2-CD2 4.18Å; F1741-Y1957 HydrophobicContact CE2-CE1 4.46Å; F1741-Y1957 AromaticContact CE2-CG 3.86Å; F1741-Y1957 HydrophobicContact CE2-CG 3.86Å; F1741-Y1957 AromaticContact CG-CD1 3.31Å; F1741-Y1957 HydrophobicContact CG-CD1 3.31Å; F1741-Y1957 AromaticContact CG-CE1 3.89Å; F1741-Y1957 HydrophobicContact CG-CE1 3.89Å; F1741-Y1957 AromaticContact CG-CG 3.87Å; F1741-Y1957 HydrophobicContact CG-CG 3.87Å; F1741-Y1957 HydrophobicContact CZ-CD1 4.44Å; F1741-Y1957 HydrophobicContact CZ-CG 4.2Å; I1946-Y1957 HydrophobicContact CD1-CD2 3.88Å; I1946-Y1957 HydrophobicContact CD1-CG 4.35Å; I1946-Y1957 HydrophobicContact CG2-CD2 4.44Å; F1951-Y1957 HydrophobicContact CB-CE2 4.01Å; F1951-Y1957 HydrophobicContact CD2-CE2 4.44Å; F1951-Y1957 HydrophobicContact CG-CE2 4.32Å; R1953-Y1957 HydrophobicContact CB-CE1 4.03Å; R1953-Y1957 HydrophobicContact CB-CE2 4.29Å; R1953-Y1957 WeakPolarHBondContact O-CD2 3.4Å; R1953-Y1957 PolarHBondContact O-N 2.96Å; Q1954-Y1957 WeakPolarHBondContact O-CB 3.48Å; Q1954-Y1957 PolarHBondContact O-N 3.16Å; Q1954-Y1957 VanDerWaalsContact O-N 3.11Å; E1955-Y1957 VanDerWaalsContact C-N 3.3Å; E1955-Y1957 PolarHBondContact O-N 2.91Å; Y1957-F1959 PolarHBondContact O-N 3.16Å; Y1957-T1960 WeakPolarHBondContact O-CB 3.41Å; Y1957-T1960 PolarHBondContact O-N 3.21Å; Y1957-T1960 VanDerWaalsContact O-N 3.12Å; Y1957-I1961 WeakPolarHBondContact O-CG1 3.47Å; Y1957-I1961 PolarHBondContact O-N 3.13Å; Y1957-I1961 VanDerWaalsContact O-N 3.11Å |
| 1958 | T | 77.3 | Confident | 74.7 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 173.6 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | Q1954 E1955 T1960 I1961 H1962 Y2009 W2010 V2013 | Q1954-T1958 PolarHBondContact O-N 3.35Å; Q1954-T1958 PolarHBondContact O-OG1 3.17Å; Q1954-T1958 VanDerWaalsContact O-OG1 3.08Å; E1955-T1958 PolarHBondContact O-N 2.87Å; T1958-T1960 VanDerWaalsContact C-N 3.27Å; T1958-T1960 PolarHBondContact O-N 3.12Å; T1958-I1961 PolarHBondContact O-N 2.98Å; T1958-H1962 PolarHBondContact O-CD2 3.3Å; T1958-H1962 VanDerWaalsContact O-CD2 3.28Å; T1958-H1962 PolarHBondContact O-N 3.16Å; T1958-Y2009 WeakPolarHBondContact CB-OH 3.28Å; T1958-Y2009 HydrophobicContact CG2-CE1 4.26Å; T1958-Y2009 VanDerWaalsContact CG2-OH 3.22Å; T1958-Y2009 WeakPolarHBondContact CG2-OH 3.33Å; T1958-Y2009 PolarHBondContact OG1-OH 2.94Å; T1958-W2010 HydrophobicContact CG2-CH2 4.45Å; T1958-W2010 HydrophobicContact CG2-CZ3 4.33Å; T1958-V2013 HydrophobicContact CG2-CG1 4.3Å; T1958-V2013 HydrophobicContact CG2-CG2 3.88Å |
| 1959 | F | 78.3 | Confident | 75.9 | Confident | 126 Ų | 126 | 53.4 Ų | 53.4 | 55% | 0.553 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -57.9 | -40.2 | 176.4 | 178.4 | -95.7 | 0 | 0 | 0 | 112.4 | E1955 Y1956 Y1957 I1961 H1962 Y1963 | E1955-F1959 VanDerWaalsContact O-CB 3.26Å; E1955-F1959 WeakPolarHBondContact O-CB 3.33Å; E1955-F1959 PolarHBondContact O-N 3.24Å; Y1956-F1959 PolarHBondContact O-N 3.5Å; Y1957-F1959 PolarHBondContact O-N 3.16Å; F1959-I1961 PolarHBondContact O-N 3.34Å; F1959-H1962 WeakPolarHBondContact O-CB 3.39Å; F1959-H1962 PolarHBondContact O-N 3.16Å; F1959-Y1963 VanDerWaalsContact O-CB 3.3Å; F1959-Y1963 WeakPolarHBondContact O-CB 3.39Å; F1959-Y1963 PolarHBondContact O-N 3.11Å |
| 1960 | T | 81.9 | Confident | 77 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | -179.5 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | F1741 C1744 R1745 Y1956 Y1957 T1958 Y1963 L1964 | F1741-T1960 HydrophobicContact CD1-CG2 4.29Å; F1741-T1960 VanDerWaalsContact O-CG2 3.28Å; F1741-T1960 WeakPolarHBondContact O-CG2 3.31Å; C1744-T1960 HydrophobicContact CB-CG2 3.86Å; R1745-T1960 HydrophobicContact CB-CG2 3.78Å; R1745-T1960 HydrophobicContact CG-CG2 4.45Å; Y1956-T1960 WeakPolarHBondContact O-CB 3.45Å; Y1956-T1960 PolarHBondContact O-N 3.24Å; Y1956-T1960 PolarHBondContact O-OG1 3.14Å; Y1957-T1960 WeakPolarHBondContact O-CB 3.41Å; Y1957-T1960 PolarHBondContact O-N 3.21Å; Y1957-T1960 VanDerWaalsContact O-N 3.12Å; T1958-T1960 VanDerWaalsContact C-N 3.27Å; T1958-T1960 PolarHBondContact O-N 3.12Å; T1960-Y1963 PolarHBondContact O-N 2.95Å; T1960-L1964 WeakPolarHBondContact O-CB 3.34Å; T1960-L1964 PolarHBondContact O-N 3.25Å |
| 1961 | I | 84.8 | Confident | 78.5 | Confident | 1.25 Ų | 1.25 | 43.9 Ų | 43.9 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.8 | -41.8 | 177.8 | -63.3 | -58.2 | 0 | 0 | 0 | 111.3 | F1741 L1939 L1943 Y1957 T1958 F1959 Y1963 L1964 V1965 W2010 V2013 V2014 | F1741-I1961 HydrophobicContact CD1-CD1 4.19Å; F1741-I1961 HydrophobicContact CD1-CG1 4.22Å; F1741-I1961 HydrophobicContact CE1-CD1 3.78Å; F1741-I1961 HydrophobicContact CE1-CG1 3.74Å; F1741-I1961 HydrophobicContact CZ-CD1 4.4Å; F1741-I1961 HydrophobicContact CZ-CG1 4.46Å; L1939-I1961 HydrophobicContact CD1-CD1 4.47Å; L1943-I1961 HydrophobicContact CD1-CD1 4.39Å; L1943-I1961 HydrophobicContact CD1-CG1 4.29Å; L1943-I1961 HydrophobicContact CD1-CG2 4.38Å; L1943-I1961 HydrophobicContact CD2-CD1 3.98Å; L1943-I1961 HydrophobicContact CD2-CG1 3.9Å; Y1957-I1961 WeakPolarHBondContact O-CG1 3.47Å; Y1957-I1961 PolarHBondContact O-N 3.13Å; Y1957-I1961 VanDerWaalsContact O-N 3.11Å; T1958-I1961 PolarHBondContact O-N 2.98Å; F1959-I1961 PolarHBondContact O-N 3.34Å; I1961-Y1963 PolarHBondContact O-N 3.13Å; I1961-L1964 PolarHBondContact O-N 3.2Å; I1961-L1964 VanDerWaalsContact O-N 3.15Å; I1961-V1965 HydrophobicContact CG2-CG2 4.35Å; I1961-V1965 WeakPolarHBondContact O-CG2 3.2Å; I1961-V1965 PolarHBondContact O-N 3.18Å; I1961-W2010 HydrophobicContact CB-CE3 4.43Å; I1961-W2010 HydrophobicContact CB-CH2 4.2Å; I1961-W2010 HydrophobicContact CB-CZ3 3.83Å; I1961-W2010 HydrophobicContact CG1-CE3 4.4Å; I1961-W2010 HydrophobicContact CG1-CH2 4.18Å; I1961-W2010 HydrophobicContact CG1-CZ3 3.85Å; I1961-W2010 HydrophobicContact CG2-CE3 4.25Å; I1961-W2010 HydrophobicContact CG2-CZ3 4.07Å; I1961-V2013 HydrophobicContact CG2-CG1 4.29Å; I1961-V2014 HydrophobicContact CG2-CG2 4.31Å |
| 1962 | H | 84.3 | Confident | 80.2 | Confident | 47.75 Ų | 47.75 | 40.4 Ų | 40.4 | 22% | 0.221 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -51.2 | -49.8 | 171.9 | -84.7 | -81.7 | 0 | 0 | 0 | 110.4 | T1958 F1959 L1964 V1965 R1966 V2013 S2016 D2017 | T1958-H1962 PolarHBondContact O-CD2 3.3Å; T1958-H1962 VanDerWaalsContact O-CD2 3.28Å; T1958-H1962 PolarHBondContact O-N 3.16Å; F1959-H1962 WeakPolarHBondContact O-CB 3.39Å; F1959-H1962 PolarHBondContact O-N 3.16Å; H1962-L1964 PolarHBondContact O-N 3.08Å; H1962-V1965 PolarHBondContact O-N 3.02Å; H1962-R1966 WeakPolarHBondContact O-CB 3.35Å; H1962-R1966 PolarHBondContact O-N 3.29Å; H1962-V2013 WeakPolarHBondContact CD2-CG1 3.1Å; H1962-V2013 PolarHBondContact CE1-O 3.18Å; H1962-V2013 VanDerWaalsContact CE1-O 3.24Å; H1962-V2013 PolarHBondContact ND1-O 3.06Å; H1962-V2013 WeakPolarHBondContact NE2-CA 3.12Å; H1962-V2013 WeakPolarHBondContact NE2-CB 3.08Å; H1962-V2013 WeakPolarHBondContact NE2-CG1 3.1Å; H1962-S2016 PolarHBondContact CE1-OG 3.48Å; H1962-D2017 WeakPolarHBondContact CA-OD2 3.36Å; H1962-D2017 VanDerWaalsContact CB-OD2 3.31Å; H1962-D2017 WeakPolarHBondContact CB-OD2 3.31Å; H1962-D2017 IonicContact CD2-OD2 2.8Å; H1962-D2017 PolarHBondContact CD2-OD2 3.18Å; H1962-D2017 IonicContact CE1-OD2 3.46Å; H1962-D2017 IonicContact CG-OD2 3.33Å; H1962-D2017 IonicContact ND1-OD1 3.75Å; H1962-D2017 IonicContact ND1-OD2 3.7Å; H1962-D2017 PolarHBondContact ND1-OD2 3.05Å; H1962-D2017 VanDerWaalsContact O-OD2 3.06Å |
| 1963 | Y | 83.9 | Confident | 81.6 | Confident | 30.25 Ų | 30.25 | 32.4 Ų | 32.4 | 12% | 0.119 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -38.3 | -177.8 | -168.9 | -119.6 | 0 | 0 | 0 | 113 | V1697 P1700 F1701 S1748 E1749 F1752 F1959 T1960 I1961 S1967 | V1697-Y1963 WeakPolarHBondContact CG1-OH 3.39Å; V1697-Y1963 WeakPolarHBondContact CG2-OH 3.26Å; P1700-Y1963 HydrophobicContact CG-CE2 4.03Å; F1701-Y1963 HydrophobicContact CD2-CD2 4.29Å; F1701-Y1963 HydrophobicContact CD2-CE2 4.11Å; F1701-Y1963 AromaticContact CE2-CD2 3.87Å; F1701-Y1963 HydrophobicContact CE2-CD2 3.87Å; F1701-Y1963 AromaticContact CE2-CE2 3.36Å; F1701-Y1963 HydrophobicContact CE2-CE2 3.36Å; F1701-Y1963 HydrophobicContact CZ-CD2 4.27Å; F1701-Y1963 AromaticContact CZ-CE2 3.88Å; F1701-Y1963 HydrophobicContact CZ-CE2 3.88Å; S1748-Y1963 VanDerWaalsContact OG-CD1 3.24Å; S1748-Y1963 WeakPolarHBondContact OG-CD1 3.39Å; E1749-Y1963 HydrophobicContact CB-CE1 4.21Å; E1749-Y1963 HydrophobicContact CG-CD1 4.43Å; E1749-Y1963 HydrophobicContact CG-CE1 3.65Å; E1749-Y1963 VanDerWaalsContact CG-CE1 3.5Å; F1752-Y1963 HydrophobicContact CB-CE2 4.45Å; F1752-Y1963 VanDerWaalsContact CB-OH 3.31Å; F1752-Y1963 WeakPolarHBondContact CB-OH 3.3Å; F1752-Y1963 HydrophobicContact CD2-CE2 4.49Å; F1752-Y1963 HydrophobicContact CG-CE2 4.44Å; F1752-Y1963 WeakPolarHBondContact CG-OH 3.27Å; F1959-Y1963 VanDerWaalsContact O-CB 3.3Å; F1959-Y1963 WeakPolarHBondContact O-CB 3.39Å; F1959-Y1963 PolarHBondContact O-N 3.11Å; T1960-Y1963 PolarHBondContact O-N 2.95Å; I1961-Y1963 PolarHBondContact O-N 3.13Å; Y1963-S1967 WeakPolarHBondContact CE2-OG 3.45Å; Y1963-S1967 WeakPolarHBondContact O-CB 3.38Å; Y1963-S1967 PolarHBondContact O-N 3.15Å; Y1963-S1967 PolarHBondContact O-OG 3.03Å |
| 1964 | L | 90 | Very high | 82.7 | Confident | 0.75 Ų | 0.75 | 26.8 Ų | 26.8 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.7 | -53.4 | 174.4 | 177.9 | 67.8 | 0 | 0 | 0 | 112.3 | M1732 C1744 I1747 S1748 W1936 L1939 T1960 I1961 H1962 R1966 S1967 C1968 | M1732-L1964 HydrophobicContact CE-CD1 3.73Å; M1732-L1964 HydrophobicContact CE-CD2 3.58Å; M1732-L1964 VanDerWaalsContact CE-CD2 3.43Å; M1732-L1964 HydrophobicContact CE-CG 4.32Å; C1744-L1964 HydrophobicContact CB-CD2 4.26Å; I1747-L1964 HydrophobicContact CG2-CD1 4.46Å; S1748-L1964 WeakPolarHBondContact OG-CA 3.49Å; S1748-L1964 VanDerWaalsContact OG-CB 3.26Å; S1748-L1964 WeakPolarHBondContact OG-CB 3.43Å; S1748-L1964 WeakPolarHBondContact OG-CD1 3.17Å; S1748-L1964 PolarHBondContact OG-N 3.06Å; W1936-L1964 HydrophobicContact CZ3-CD2 4.47Å; L1939-L1964 HydrophobicContact CD2-CD2 4.07Å; T1960-L1964 WeakPolarHBondContact O-CB 3.34Å; T1960-L1964 PolarHBondContact O-N 3.25Å; I1961-L1964 PolarHBondContact O-N 3.2Å; I1961-L1964 VanDerWaalsContact O-N 3.15Å; H1962-L1964 PolarHBondContact O-N 3.08Å; L1964-R1966 VanDerWaalsContact C-N 3.33Å; L1964-R1966 PolarHBondContact O-N 3.25Å; L1964-S1967 PolarHBondContact O-N 2.98Å; L1964-C1968 WeakPolarHBondContact O-CB 3.3Å; L1964-C1968 PolarHBondContact O-N 3.12Å; L1964-C1968 PolarHBondContact O-SG 3.12Å; L1964-C1968 VanDerWaalsContact O-SG 3.36Å |
| 1965 | V | 89.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -48.7 | -178.9 | 170.7 | 0 | 0 | 0 | 0 | 109.8 | W1936 I1961 H1962 S1967 C1968 L1969 L1981 V2014 D2017 I2018 | W1936-V1965 HydrophobicContact CZ3-CG2 4.49Å; I1961-V1965 HydrophobicContact CG2-CG2 4.35Å; I1961-V1965 WeakPolarHBondContact O-CG2 3.2Å; I1961-V1965 PolarHBondContact O-N 3.18Å; H1962-V1965 PolarHBondContact O-N 3.02Å; V1965-S1967 VanDerWaalsContact C-N 3.34Å; V1965-S1967 PolarHBondContact O-N 3.29Å; V1965-C1968 PolarHBondContact O-N 3.16Å; V1965-L1969 HydrophobicContact CG1-CD1 3.72Å; V1965-L1969 HydrophobicContact CG1-CG 4.32Å; V1965-L1969 WeakPolarHBondContact O-CB 3.37Å; V1965-L1969 VanDerWaalsContact O-CG 3.28Å; V1965-L1969 WeakPolarHBondContact O-CG 3.36Å; V1965-L1969 PolarHBondContact O-N 3.14Å; V1965-L1981 HydrophobicContact CG1-CD1 4.38Å; V1965-L1981 HydrophobicContact CG1-CD2 4.35Å; V1965-L1981 HydrophobicContact CG2-CD2 4.41Å; V1965-V2014 HydrophobicContact CG1-CG1 4.06Å; V1965-V2014 HydrophobicContact CG2-CG1 4.36Å; V1965-V2014 HydrophobicContact CG2-CG2 4.06Å; V1965-D2017 HydrophobicContact CG1-CB 4.25Å; V1965-I2018 HydrophobicContact CG1-CG1 4.46Å |
| 1966 | R | 87.3 | Confident | 84.5 | Confident | 80 Ų | 80 | 24.2 Ų | 24.2 | 30% | 0.302 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 178.8 | -172.6 | 171.9 | -178 | 173.9 | -1.5 | 112.3 | F1701 H1962 L1964 L1969 L1970 D2017 V2021 | F1701-R1966 HydrophobicContact CE1-CG 4.19Å; F1701-R1966 VanDerWaalsContact CE1-CZ 3.47Å; F1701-R1966 VanDerWaalsContact CE2-NE 3.3Å; H1962-R1966 WeakPolarHBondContact O-CB 3.35Å; H1962-R1966 PolarHBondContact O-N 3.29Å; L1964-R1966 VanDerWaalsContact C-N 3.33Å; L1964-R1966 PolarHBondContact O-N 3.25Å; R1966-L1969 PolarHBondContact O-N 3.05Å; R1966-L1970 HydrophobicContact CG-CD1 4.06Å; R1966-L1970 WeakPolarHBondContact O-CB 3.33Å; R1966-L1970 VanDerWaalsContact O-CG 3.27Å; R1966-L1970 WeakPolarHBondContact O-CG 3.24Å; R1966-L1970 PolarHBondContact O-N 3.08Å; R1966-D2017 HydrophobicContact CB-CB 4.25Å; R1966-V2021 HydrophobicContact CG-CG2 3.81Å |
| 1967 | S | 86.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 179.1 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | S1748 I1751 Y1963 L1964 V1965 L1970 A1971 | S1748-S1967 PolarHBondContact O-OG 3.22Å; I1751-S1967 WeakPolarHBondContact CG2-O 3.48Å; Y1963-S1967 WeakPolarHBondContact CE2-OG 3.45Å; Y1963-S1967 WeakPolarHBondContact O-CB 3.38Å; Y1963-S1967 PolarHBondContact O-N 3.15Å; Y1963-S1967 PolarHBondContact O-OG 3.03Å; L1964-S1967 PolarHBondContact O-N 2.98Å; V1965-S1967 VanDerWaalsContact C-N 3.34Å; V1965-S1967 PolarHBondContact O-N 3.29Å; S1967-L1970 PolarHBondContact O-N 3.17Å; S1967-A1971 VanDerWaalsContact O-CB 3.25Å; S1967-A1971 WeakPolarHBondContact O-CB 3.37Å; S1967-A1971 PolarHBondContact O-N 3.23Å |
| 1968 | C | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 176.3 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | L1964 V1965 A1971 F1972 M1977 | L1964-C1968 WeakPolarHBondContact O-CB 3.3Å; L1964-C1968 PolarHBondContact O-N 3.12Å; L1964-C1968 PolarHBondContact O-SG 3.12Å; L1964-C1968 VanDerWaalsContact O-SG 3.36Å; V1965-C1968 PolarHBondContact O-N 3.16Å; C1968-A1971 PolarHBondContact O-N 3.26Å; C1968-F1972 HydrophobicContact CB-CD2 4.21Å; C1968-F1972 HydrophobicContact CB-CE2 4.41Å; C1968-F1972 WeakPolarHBondContact O-CB 3.46Å; C1968-F1972 WeakPolarHBondContact O-CD2 3.37Å; C1968-F1972 PolarHBondContact O-N 3.25Å; C1968-M1977 HydrophobicContact CB-CE 3.71Å; C1968-M1977 HydrophobicContact CB-SD 4.27Å |
| 1969 | L | 89.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 178.1 | -73.7 | 172.4 | 0 | 0 | 0 | 112.5 | V1965 R1966 G1973 M1977 L1981 I2018 V2021 W2025 | V1965-L1969 HydrophobicContact CG1-CD1 3.72Å; V1965-L1969 HydrophobicContact CG1-CG 4.32Å; V1965-L1969 WeakPolarHBondContact O-CB 3.37Å; V1965-L1969 VanDerWaalsContact O-CG 3.28Å; V1965-L1969 WeakPolarHBondContact O-CG 3.36Å; V1965-L1969 PolarHBondContact O-N 3.14Å; R1966-L1969 PolarHBondContact O-N 3.05Å; L1969-G1973 WeakPolarHBondContact O-CA 3.3Å; L1969-G1973 PolarHBondContact O-N 3.16Å; L1969-G1973 VanDerWaalsContact O-N 3.1Å; L1969-M1977 HydrophobicContact CD2-CB 3.86Å; L1969-M1977 HydrophobicContact CD2-CG 4.48Å; L1969-L1981 HydrophobicContact CD1-CD1 4.17Å; L1969-L1981 HydrophobicContact CD2-CD1 3.56Å; L1969-L1981 HydrophobicContact CG-CD1 4.05Å; L1969-I2018 HydrophobicContact CD1-CB 4.16Å; L1969-I2018 HydrophobicContact CD1-CG1 3.6Å; L1969-I2018 HydrophobicContact CD1-CG2 4.45Å; L1969-V2021 HydrophobicContact CB-CB 4.25Å; L1969-V2021 HydrophobicContact CB-CG1 3.86Å; L1969-V2021 HydrophobicContact CB-CG2 4.33Å; L1969-V2021 HydrophobicContact CD1-CB 4.46Å; L1969-W2025 HydrophobicContact CD2-CZ2 4.09Å |
| 1970 | L | 86 | Confident | 86.7 | Confident | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 175.4 | -74.4 | 170 | 0 | 0 | 0 | 111.4 | F1701 F1752 R1759 Y1855 R1966 S1967 V2021 L2024 | F1701-L1970 HydrophobicContact CZ-CD1 4.41Å; F1752-L1970 HydrophobicContact CD2-CD1 4.28Å; F1752-L1970 HydrophobicContact CE2-CD1 3.89Å; R1759-L1970 WeakPolarHBondContact CB-O 3.37Å; R1759-L1970 VanDerWaalsContact CG-O 3.28Å; R1759-L1970 WeakPolarHBondContact CG-O 3.23Å; Y1855-L1970 WeakPolarHBondContact CE1-O 3.5Å; R1966-L1970 HydrophobicContact CG-CD1 4.06Å; R1966-L1970 WeakPolarHBondContact O-CB 3.33Å; R1966-L1970 VanDerWaalsContact O-CG 3.27Å; R1966-L1970 WeakPolarHBondContact O-CG 3.24Å; R1966-L1970 PolarHBondContact O-N 3.08Å; S1967-L1970 PolarHBondContact O-N 3.17Å; L1970-V2021 HydrophobicContact CD2-CG1 3.83Å; L1970-V2021 HydrophobicContact CD2-CG2 4.21Å; L1970-V2021 HydrophobicContact CG-CG1 4.1Å; L1970-V2021 HydrophobicContact CG-CG2 4.04Å; L1970-L2024 HydrophobicContact CD2-CD1 3.67Å |
| 1971 | A | 86.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -74.6 | -43.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1751 I1755 S1967 C1968 | I1751-A1971 HydrophobicContact CG2-CB 3.44Å; I1751-A1971 VanDerWaalsContact CG2-CB 3.45Å; I1755-A1971 HydrophobicContact CB-CB 3.87Å; I1755-A1971 HydrophobicContact CD1-CB 4.42Å; I1755-A1971 HydrophobicContact CG2-CB 3.81Å; S1967-A1971 VanDerWaalsContact O-CB 3.25Å; S1967-A1971 WeakPolarHBondContact O-CB 3.37Å; S1967-A1971 PolarHBondContact O-N 3.23Å; C1968-A1971 PolarHBondContact O-N 3.26Å |
| 1972 | F | 88.6 | Confident | 87.1 | Confident | 3.25 Ų | 3.25 | 17.2 Ų | 17.2 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -109.3 | -10 | -168.1 | -50 | -50.1 | 0 | 0 | 0 | 114.3 | I1751 I1755 Y1855 P1856 L1921 A1922 L1925 C1926 C1968 M1977 | I1751-F1972 HydrophobicContact CD1-CE2 4.32Å; I1751-F1972 HydrophobicContact CD1-CZ 4.45Å; I1751-F1972 HydrophobicContact CG1-CZ 4.45Å; I1751-F1972 HydrophobicContact CG2-CE2 4.37Å; I1751-F1972 HydrophobicContact CG2-CZ 4.28Å; I1755-F1972 HydrophobicContact CD1-CE1 3.77Å; I1755-F1972 HydrophobicContact CD1-CZ 4.42Å; Y1855-F1972 WeakPolarHBondContact CB-O 3.11Å; Y1855-F1972 VanDerWaalsContact CD1-C 3.48Å; P1856-F1972 HydrophobicContact CG-CB 4.21Å; P1856-F1972 HydrophobicContact CG-CD1 4.03Å; L1921-F1972 HydrophobicContact CB-CZ 4.12Å; A1922-F1972 HydrophobicContact CB-CD1 4.05Å; A1922-F1972 HydrophobicContact CB-CE1 3.74Å; A1922-F1972 HydrophobicContact CB-CZ 4.42Å; L1925-F1972 HydrophobicContact CB-CE2 4.11Å; L1925-F1972 HydrophobicContact CD1-CE2 4.19Å; C1926-F1972 HydrophobicContact CB-CB 3.91Å; C1926-F1972 HydrophobicContact CB-CD2 4.03Å; C1926-F1972 HydrophobicContact CB-CG 3.97Å; C1926-F1972 VanDerWaalsContact SG-CB 3.55Å; C1926-F1972 WeakPolarHBondContact SG-CB 3.33Å; C1968-F1972 HydrophobicContact CB-CD2 4.21Å; C1968-F1972 HydrophobicContact CB-CE2 4.41Å; C1968-F1972 WeakPolarHBondContact O-CB 3.46Å; C1968-F1972 WeakPolarHBondContact O-CD2 3.37Å; C1968-F1972 PolarHBondContact O-N 3.25Å; F1972-M1977 HydrophobicContact CB-CG 4.06Å; F1972-M1977 HydrophobicContact CB-SD 4.4Å; F1972-M1977 HydrophobicContact CD2-SD 4.26Å |
| 1973 | G | 85.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | 73.9 | 179 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1855 L1969 M1977 | Y1855-G1973 VanDerWaalsContact CD1-N 3.27Å; L1969-G1973 WeakPolarHBondContact O-CA 3.3Å; L1969-G1973 PolarHBondContact O-N 3.16Å; L1969-G1973 VanDerWaalsContact O-N 3.1Å; G1973-M1977 VanDerWaalsContact O-CB 3.24Å; G1973-M1977 WeakPolarHBondContact O-CB 3.37Å; G1973-M1977 VanDerWaalsContact O-CG 3.23Å; G1973-M1977 WeakPolarHBondContact O-CG 3.41Å | ||
| 1974 | P | 86.7 | Confident | 87.4 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -76.9 | -27.2 | -165.6 | 25.7 | -33.9 | 0 | 0 | 0 | 115.2 | N1976 M1977 L1978 W2025 W2029 | P1974-N1976 PolarHBondContact O-N 3.44Å; P1974-M1977 PolarHBondContact O-N 2.78Å; P1974-L1978 HydrophobicContact CB-CD1 3.77Å; P1974-L1978 HydrophobicContact CB-CG 4.07Å; P1974-L1978 VanDerWaalsContact O-CB 3.25Å; P1974-L1978 WeakPolarHBondContact O-CB 3.36Å; P1974-L1978 VanDerWaalsContact O-CG 3.27Å; P1974-L1978 WeakPolarHBondContact O-CG 3.33Å; P1974-L1978 PolarHBondContact O-N 3.21Å; P1974-W2025 HydrophobicContact CB-CD2 3.84Å; P1974-W2025 HydrophobicContact CB-CE3 3.95Å; P1974-W2025 HydrophobicContact CB-CG 4.47Å; P1974-W2025 HydrophobicContact CB-CH2 4.02Å; P1974-W2025 HydrophobicContact CB-CZ2 3.93Å; P1974-W2025 HydrophobicContact CB-CZ3 4.03Å; P1974-W2025 HydrophobicContact CG-CD2 3.91Å; P1974-W2025 HydrophobicContact CG-CE3 4.34Å; P1974-W2025 HydrophobicContact CG-CG 4.09Å; P1974-W2029 HydrophobicContact CB-CB 4.42Å; P1974-W2029 HydrophobicContact CB-CD2 3.79Å; P1974-W2029 HydrophobicContact CB-CE3 3.69Å; P1974-W2029 HydrophobicContact CB-CG 4.1Å; P1974-W2029 HydrophobicContact CB-CZ3 4.3Å; P1974-W2029 HydrophobicContact CG-CB 3.82Å; P1974-W2029 HydrophobicContact CG-CD2 3.33Å; P1974-W2029 HydrophobicContact CG-CE3 3.82Å; P1974-W2029 HydrophobicContact CG-CG 3.29Å; P1974-W2029 HydrophobicContact CG-CZ3 4.47Å |
| 1975 | K | 83.8 | Confident | 87.3 | Confident | 112.5 Ų | 112.5 | 16.1 Ų | 16.1 | 49% | 0.489 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -54 | -64.3 | -164.1 | -173.4 | 178.8 | 177 | 179.4 | 0 | 114.4 | W2029 I2198 | K1975-W2029 HydrophobicContact CB-CH2 3.78Å; K1975-W2029 HydrophobicContact CB-CZ2 3.52Å; K1975-W2029 VanDerWaalsContact CB-CZ2 3.5Å; K1975-W2029 HydrophobicContact CD-CZ2 4.48Å; K1975-W2029 HydrophobicContact CG-CH2 3.87Å; K1975-W2029 HydrophobicContact CG-CZ2 3.79Å; K1975-I2198 WeakPolarHBondContact O-CD1 3.4Å |
| 1976 | N | 84.6 | Confident | 87.2 | Confident | 18.25 Ų | 18.25 | 17.8 Ų | 17.8 | 10% | 0.098 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -89.3 | -27.2 | 179.4 | -62.4 | -3.3 | 0 | 0 | 0 | 111.3 | F1858 C1926 P1974 L1978 E1979 H1980 | F1858-N1976 WeakPolarHBondContact CD2-ND2 3.34Å; C1926-N1976 WeakPolarHBondContact O-CB 3.4Å; C1926-N1976 PolarHBondContact O-ND2 3.09Å; P1974-N1976 PolarHBondContact O-N 3.44Å; N1976-L1978 PolarHBondContact O-N 3.05Å; N1976-E1979 WeakPolarHBondContact O-CB 3.2Å; N1976-E1979 PolarHBondContact O-N 3.23Å; N1976-H1980 PolarHBondContact O-CD2 3.23Å; N1976-H1980 PolarHBondContact O-N 3.17Å; N1976-H1980 VanDerWaalsContact O-N 3.12Å |
| 1977 | M | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | -179.8 | -73.1 | -59 | -50.7 | 0 | 0 | 112.6 | C1926 W1936 C1968 L1969 F1972 G1973 P1974 E1979 H1980 L1981 | C1926-M1977 HydrophobicContact CB-SD 4.06Å; C1926-M1977 VanDerWaalsContact SG-SD 3.68Å; W1936-M1977 HydrophobicContact CH2-CE 4.13Å; W1936-M1977 HydrophobicContact CZ2-CE 3.66Å; W1936-M1977 HydrophobicContact CZ2-SD 4.48Å; C1968-M1977 HydrophobicContact CB-CE 3.71Å; C1968-M1977 HydrophobicContact CB-SD 4.27Å; L1969-M1977 HydrophobicContact CD2-CB 3.86Å; L1969-M1977 HydrophobicContact CD2-CG 4.48Å; F1972-M1977 HydrophobicContact CB-CG 4.06Å; F1972-M1977 HydrophobicContact CB-SD 4.4Å; F1972-M1977 HydrophobicContact CD2-SD 4.26Å; G1973-M1977 VanDerWaalsContact O-CB 3.24Å; G1973-M1977 WeakPolarHBondContact O-CB 3.37Å; G1973-M1977 VanDerWaalsContact O-CG 3.23Å; G1973-M1977 WeakPolarHBondContact O-CG 3.41Å; P1974-M1977 PolarHBondContact O-N 2.78Å; M1977-E1979 VanDerWaalsContact C-N 3.28Å; M1977-E1979 PolarHBondContact O-N 3.1Å; M1977-H1980 PolarHBondContact O-N 3.12Å; M1977-L1981 HydrophobicContact CE-CD1 4.33Å; M1977-L1981 HydrophobicContact CE-CG 4.27Å; M1977-L1981 VanDerWaalsContact O-CB 3.27Å; M1977-L1981 WeakPolarHBondContact O-CB 3.31Å; M1977-L1981 WeakPolarHBondContact O-CG 3.37Å; M1977-L1981 PolarHBondContact O-N 3.16Å |
| 1978 | L | 88 | Confident | 86.9 | Confident | 0.25 Ų | 0.25 | 15.3 Ų | 15.3 | 0% | 0.001 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 177.6 | -73.8 | 177.9 | 0 | 0 | 0 | 111.4 | P1974 N1976 L1981 E1982 I2018 W2025 W2029 Y2032 F2033 F2037 I2198 | P1974-L1978 HydrophobicContact CB-CD1 3.77Å; P1974-L1978 HydrophobicContact CB-CG 4.07Å; P1974-L1978 VanDerWaalsContact O-CB 3.25Å; P1974-L1978 WeakPolarHBondContact O-CB 3.36Å; P1974-L1978 VanDerWaalsContact O-CG 3.27Å; P1974-L1978 WeakPolarHBondContact O-CG 3.33Å; P1974-L1978 PolarHBondContact O-N 3.21Å; N1976-L1978 PolarHBondContact O-N 3.05Å; L1978-L1981 PolarHBondContact O-N 3.16Å; L1978-E1982 VanDerWaalsContact O-CB 3.3Å; L1978-E1982 WeakPolarHBondContact O-CB 3.33Å; L1978-E1982 PolarHBondContact O-N 2.96Å; L1978-I2018 HydrophobicContact CD2-CG2 4.14Å; L1978-W2025 HydrophobicContact CD1-CH2 4.26Å; L1978-W2025 HydrophobicContact CD1-CZ3 4.07Å; L1978-W2025 HydrophobicContact CD2-CH2 3.8Å; L1978-W2025 HydrophobicContact CD2-CZ3 4.28Å; L1978-W2025 HydrophobicContact CG-CH2 4.22Å; L1978-W2025 HydrophobicContact CG-CZ3 4.46Å; L1978-W2029 HydrophobicContact CD1-CE3 4.17Å; L1978-W2029 HydrophobicContact CD1-CZ3 4.27Å; L1978-Y2032 HydrophobicContact CD1-CD1 4.05Å; L1978-Y2032 HydrophobicContact CD1-CE1 4.05Å; L1978-F2033 HydrophobicContact CD2-CD2 4.32Å; L1978-F2033 HydrophobicContact CD2-CE2 4.45Å; L1978-F2037 HydrophobicContact CB-CD2 4.19Å; L1978-F2037 HydrophobicContact CB-CE2 4.19Å; L1978-F2037 HydrophobicContact CD2-CD1 4.34Å; L1978-F2037 HydrophobicContact CD2-CD2 4.02Å; L1978-F2037 HydrophobicContact CD2-CE1 4.21Å; L1978-F2037 HydrophobicContact CD2-CE2 3.86Å; L1978-F2037 HydrophobicContact CD2-CG 4.24Å; L1978-F2037 HydrophobicContact CD2-CZ 3.95Å; L1978-F2037 HydrophobicContact CG-CD2 4.48Å; L1978-F2037 HydrophobicContact CG-CE2 4.44Å; L1978-F2037 WeakPolarHBondContact O-CE2 3.36Å; L1978-I2198 HydrophobicContact CB-CD1 4.1Å |
| 1979 | E | 85.2 | Confident | 86.5 | Confident | 48.5 Ų | 48.5 | 15.5 Ų | 15.5 | 23% | 0.227 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.7 | -52.4 | 174.1 | -155.5 | 177.6 | 165.9 | 0 | 0 | 111.3 | R1933 N1976 M1977 L1981 E1982 Y1983 I2198 | R1933-E1979 IonicContact CZ-OE1 3.26Å; R1933-E1979 IonicContact NH2-OE1 2.96Å; R1933-E1979 PolarHBondContact NH2-OE1 3.15Å; N1976-E1979 WeakPolarHBondContact O-CB 3.2Å; N1976-E1979 PolarHBondContact O-N 3.23Å; M1977-E1979 VanDerWaalsContact C-N 3.28Å; M1977-E1979 PolarHBondContact O-N 3.1Å; E1979-L1981 VanDerWaalsContact C-N 3.31Å; E1979-L1981 PolarHBondContact O-N 3.34Å; E1979-E1982 VanDerWaalsContact O-CB 3.32Å; E1979-E1982 WeakPolarHBondContact O-CB 3.32Å; E1979-E1982 PolarHBondContact O-N 2.85Å; E1979-E1982 VanDerWaalsContact O-N 3.13Å; E1979-Y1983 HydrophobicContact CG-CD2 3.95Å; E1979-Y1983 HydrophobicContact CG-CE2 3.65Å; E1979-Y1983 VanDerWaalsContact O-CD2 3.23Å; E1979-Y1983 WeakPolarHBondContact O-CD2 3.28Å; E1979-Y1983 PolarHBondContact O-N 3.14Å; E1979-Y1983 VanDerWaalsContact O-N 3.08Å; E1979-I2198 HydrophobicContact CB-CD1 4.3Å; E1979-I2198 HydrophobicContact CB-CG2 3.61Å; E1979-I2198 VanDerWaalsContact CB-CG2 3.42Å; E1979-I2198 VanDerWaalsContact CD-CG2 3.5Å; E1979-I2198 HydrophobicContact CG-CG2 3.41Å; E1979-I2198 VanDerWaalsContact CG-CG2 3.48Å |
| 1980 | H | 87.9 | Confident | 85.7 | Confident | 3.25 Ų | 3.25 | 15.7 Ų | 15.7 | 2% | 0.015 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 179.7 | -69.9 | -50.9 | 0 | 0 | 0 | 112.5 | S1927 T1932 W1936 N1976 M1977 E1982 Y1983 F1984 | S1927-H1980 PolarHBondContact O-CE1 3.34Å; S1927-H1980 VanDerWaalsContact O-CE1 3.29Å; S1927-H1980 PolarHBondContact O-NE2 3.18Å; T1932-H1980 WeakPolarHBondContact CG2-NE2 3.38Å; W1936-H1980 AromaticContact CD1-CG 3.85Å; W1936-H1980 HydrophobicContact CG-CB 4.15Å; N1976-H1980 PolarHBondContact O-CD2 3.23Å; N1976-H1980 PolarHBondContact O-N 3.17Å; N1976-H1980 VanDerWaalsContact O-N 3.12Å; M1977-H1980 PolarHBondContact O-N 3.12Å; H1980-E1982 VanDerWaalsContact C-N 3.33Å; H1980-Y1983 PolarHBondContact O-N 3.1Å; H1980-F1984 VanDerWaalsContact O-CB 3.28Å; H1980-F1984 WeakPolarHBondContact O-CB 3.33Å; H1980-F1984 PolarHBondContact O-N 2.94Å |
| 1981 | L | 89.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.2 | -32.5 | 175.8 | -70.6 | 172.8 | 0 | 0 | 0 | 112.1 | W1936 V1965 L1969 M1977 L1978 E1979 F1984 M1985 V2014 I2018 | W1936-L1981 HydrophobicContact CE3-CD2 4.5Å; W1936-L1981 HydrophobicContact CZ3-CD2 4.28Å; V1965-L1981 HydrophobicContact CG1-CD1 4.38Å; V1965-L1981 HydrophobicContact CG1-CD2 4.35Å; V1965-L1981 HydrophobicContact CG2-CD2 4.41Å; L1969-L1981 HydrophobicContact CD1-CD1 4.17Å; L1969-L1981 HydrophobicContact CD2-CD1 3.56Å; L1969-L1981 HydrophobicContact CG-CD1 4.05Å; M1977-L1981 HydrophobicContact CE-CD1 4.33Å; M1977-L1981 HydrophobicContact CE-CG 4.27Å; M1977-L1981 VanDerWaalsContact O-CB 3.27Å; M1977-L1981 WeakPolarHBondContact O-CB 3.31Å; M1977-L1981 WeakPolarHBondContact O-CG 3.37Å; M1977-L1981 PolarHBondContact O-N 3.16Å; L1978-L1981 PolarHBondContact O-N 3.16Å; E1979-L1981 VanDerWaalsContact C-N 3.31Å; E1979-L1981 PolarHBondContact O-N 3.34Å; L1981-F1984 HydrophobicContact CD2-CD1 4.5Å; L1981-F1984 WeakPolarHBondContact O-CB 3.37Å; L1981-F1984 PolarHBondContact O-N 3.03Å; L1981-M1985 HydrophobicContact CB-CE 4.43Å; L1981-M1985 WeakPolarHBondContact O-CB 3.38Å; L1981-M1985 WeakPolarHBondContact O-CE 3.36Å; L1981-M1985 VanDerWaalsContact O-CG 3.29Å; L1981-M1985 WeakPolarHBondContact O-CG 3.4Å; L1981-M1985 PolarHBondContact O-N 3.12Å; L1981-V2014 HydrophobicContact CD2-CG1 4.24Å; L1981-I2018 HydrophobicContact CB-CD1 4.45Å; L1981-I2018 HydrophobicContact CD1-CD1 4Å; L1981-I2018 HydrophobicContact CD1-CG1 4.06Å |
| 1982 | E | 86.6 | Confident | 83.7 | Confident | 8.25 Ų | 8.25 | 17.6 Ų | 17.6 | 4% | 0.039 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.2 | -46.5 | 172.3 | -169 | 175.7 | 159.9 | 0 | 0 | 110.8 | L1978 E1979 H1980 F1984 M1985 K1986 F2037 R2040 I2041 | L1978-E1982 VanDerWaalsContact O-CB 3.3Å; L1978-E1982 WeakPolarHBondContact O-CB 3.33Å; L1978-E1982 PolarHBondContact O-N 2.96Å; E1979-E1982 VanDerWaalsContact O-CB 3.32Å; E1979-E1982 WeakPolarHBondContact O-CB 3.32Å; E1979-E1982 PolarHBondContact O-N 2.85Å; E1979-E1982 VanDerWaalsContact O-N 3.13Å; H1980-E1982 VanDerWaalsContact C-N 3.33Å; E1982-F1984 VanDerWaalsContact C-N 3.34Å; E1982-F1984 PolarHBondContact O-N 3.05Å; E1982-M1985 PolarHBondContact O-N 3.32Å; E1982-K1986 HydrophobicContact CG-CD 4.36Å; E1982-K1986 WeakPolarHBondContact O-CB 3.33Å; E1982-K1986 VanDerWaalsContact O-CG 3.31Å; E1982-K1986 WeakPolarHBondContact O-CG 3.44Å; E1982-K1986 PolarHBondContact O-N 3.09Å; E1982-K1986 VanDerWaalsContact OE1-CE 3.27Å; E1982-K1986 WeakPolarHBondContact OE1-CE 3.37Å; E1982-K1986 IonicContact OE1-NZ 3.16Å; E1982-K1986 PolarHBondContact OE1-NZ 3.1Å; E1982-F2037 HydrophobicContact CB-CE2 3.97Å; E1982-F2037 HydrophobicContact CG-CE2 4.46Å; E1982-R2040 IonicContact OE1-CZ 3.02Å; E1982-R2040 VanDerWaalsContact OE1-CZ 3.26Å; E1982-R2040 IonicContact OE1-NE 3.02Å; E1982-R2040 IonicContact OE1-NH1 3.24Å; E1982-R2040 PolarHBondContact OE1-NH1 3.11Å; E1982-R2040 VanDerWaalsContact OE1-NH1 3.12Å; E1982-R2040 IonicContact OE1-NH2 3.25Å; E1982-R2040 IonicContact OE2-CZ 3.45Å; E1982-R2040 IonicContact OE2-NE 2.81Å; E1982-R2040 IonicContact OE2-NH1 2.89Å; E1982-R2040 PolarHBondContact OE2-NH1 2.77Å; E1982-R2040 VanDerWaalsContact OE2-NH1 3.12Å; E1982-R2040 IonicContact OE2-NH2 3.75Å; E1982-R2040 PolarHBondContact OE2-NH2 3.33Å; E1982-I2041 HydrophobicContact CG-CD1 4.15Å |
| 1983 | Y | 84.5 | Confident | 82.3 | Confident | 54.75 Ų | 54.75 | 21.3 Ų | 21.3 | 22% | 0.215 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64 | -39.6 | 174.5 | -74.7 | -65.8 | 0 | 0 | 0 | 112.7 | R1933 E1979 H1980 K1986 T1987 E2199 | R1933-Y1983 HydrophobicContact CG-CD2 4.13Å; R1933-Y1983 HydrophobicContact CG-CG 4.16Å; R1933-Y1983 VanDerWaalsContact CZ-CZ 3.47Å; R1933-Y1983 VanDerWaalsContact NE-CE2 3.32Å; R1933-Y1983 PolarHBondContact NH1-OH 3.27Å; R1933-Y1983 VanDerWaalsContact NH2-CE2 3.31Å; R1933-Y1983 PolarHBondContact NH2-OH 3.47Å; E1979-Y1983 HydrophobicContact CG-CD2 3.95Å; E1979-Y1983 HydrophobicContact CG-CE2 3.65Å; E1979-Y1983 VanDerWaalsContact O-CD2 3.23Å; E1979-Y1983 WeakPolarHBondContact O-CD2 3.28Å; E1979-Y1983 PolarHBondContact O-N 3.14Å; E1979-Y1983 VanDerWaalsContact O-N 3.08Å; H1980-Y1983 PolarHBondContact O-N 3.1Å; Y1983-K1986 HydrophobicContact CD1-CD 4.48Å; Y1983-K1986 PolarHBondContact O-N 3.09Å; Y1983-T1987 WeakPolarHBondContact O-CB 3.33Å; Y1983-T1987 PolarHBondContact O-N 3.26Å; Y1983-T1987 PolarHBondContact O-OG1 3.15Å; Y1983-E2199 VanDerWaalsContact CZ-OE1 3.32Å; Y1983-E2199 PolarHBondContact OH-OE1 3.21Å |
| 1984 | F | 89.1 | Confident | 81.2 | Confident | 0.75 Ų | 0.75 | 28.1 Ų | 28.1 | 0% | 0.003 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.2 | -50.5 | 173.7 | 174.4 | -91.3 | 0 | 0 | 0 | 111 | W1936 L1939 A1940 L1943 H1980 L1981 E1982 K1986 T1987 L1988 V2014 | W1936-F1984 HydrophobicContact CB-CB 4.41Å; W1936-F1984 HydrophobicContact CB-CD2 4.45Å; W1936-F1984 HydrophobicContact CE3-CB 4.4Å; W1936-F1984 AromaticContact CE3-CD2 3.83Å; W1936-F1984 HydrophobicContact CE3-CD2 3.83Å; W1936-F1984 HydrophobicContact CE3-CE2 4.29Å; W1936-F1984 HydrophobicContact CE3-CG 4.31Å; W1936-F1984 HydrophobicContact CZ3-CD2 4.46Å; W1936-F1984 WeakPolarHBondContact O-CD2 3.38Å; L1939-F1984 HydrophobicContact CB-CE2 4.46Å; L1939-F1984 HydrophobicContact CD2-CE2 4.19Å; L1939-F1984 HydrophobicContact CG-CE2 4.26Å; A1940-F1984 HydrophobicContact CB-CD2 3.68Å; A1940-F1984 HydrophobicContact CB-CE2 3.83Å; A1940-F1984 HydrophobicContact CB-CG 4.32Å; L1943-F1984 HydrophobicContact CD1-CE1 4.5Å; L1943-F1984 HydrophobicContact CD1-CE2 3.93Å; L1943-F1984 HydrophobicContact CD1-CZ 3.45Å; L1943-F1984 VanDerWaalsContact CD1-CZ 3.44Å; H1980-F1984 VanDerWaalsContact O-CB 3.28Å; H1980-F1984 WeakPolarHBondContact O-CB 3.33Å; H1980-F1984 PolarHBondContact O-N 2.94Å; L1981-F1984 HydrophobicContact CD2-CD1 4.5Å; L1981-F1984 WeakPolarHBondContact O-CB 3.37Å; L1981-F1984 PolarHBondContact O-N 3.03Å; E1982-F1984 VanDerWaalsContact C-N 3.34Å; E1982-F1984 PolarHBondContact O-N 3.05Å; F1984-K1986 PolarHBondContact O-N 2.68Å; F1984-T1987 WeakPolarHBondContact O-CB 3.28Å; F1984-T1987 PolarHBondContact O-N 3.01Å; F1984-T1987 VanDerWaalsContact O-N 3.14Å; F1984-L1988 HydrophobicContact CD1-CD1 3.94Å; F1984-L1988 HydrophobicContact CD1-CG 4.49Å; F1984-L1988 HydrophobicContact CE1-CD1 3.45Å; F1984-L1988 VanDerWaalsContact CE1-CD1 3.42Å; F1984-L1988 HydrophobicContact CE1-CG 4.31Å; F1984-L1988 HydrophobicContact CZ-CD1 4.03Å; F1984-L1988 WeakPolarHBondContact O-CG 3.38Å; F1984-L1988 PolarHBondContact O-N 3.2Å; F1984-L1988 VanDerWaalsContact O-N 3.1Å; F1984-V2014 HydrophobicContact CE1-CG2 3.79Å; F1984-V2014 HydrophobicContact CZ-CG2 4.42Å |
| 1985 | M | 88.4 | Confident | 80.2 | Confident | 1.25 Ų | 1.25 | 30.2 Ų | 30.2 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 177.9 | -70.6 | -156.1 | -146 | 0 | 0 | 112.4 | L1981 E1982 T1987 L1988 L1989 I2011 V2014 L2015 I2018 F2037 I2041 | L1981-M1985 HydrophobicContact CB-CE 4.43Å; L1981-M1985 WeakPolarHBondContact O-CB 3.38Å; L1981-M1985 WeakPolarHBondContact O-CE 3.36Å; L1981-M1985 VanDerWaalsContact O-CG 3.29Å; L1981-M1985 WeakPolarHBondContact O-CG 3.4Å; L1981-M1985 PolarHBondContact O-N 3.12Å; E1982-M1985 PolarHBondContact O-N 3.32Å; M1985-T1987 VanDerWaalsContact C-N 3.26Å; M1985-T1987 PolarHBondContact O-N 3.17Å; M1985-L1988 WeakPolarHBondContact O-CB 3.18Å; M1985-L1988 PolarHBondContact O-N 3.12Å; M1985-L1988 VanDerWaalsContact O-N 3.16Å; M1985-L1989 WeakPolarHBondContact O-CG 3.13Å; M1985-L1989 PolarHBondContact O-N 3.09Å; M1985-L1989 VanDerWaalsContact O-N 3.12Å; M1985-I2011 HydrophobicContact CB-CG1 4.28Å; M1985-I2011 HydrophobicContact CG-CG1 4.16Å; M1985-I2011 HydrophobicContact CG-CG2 4.49Å; M1985-I2011 HydrophobicContact SD-CG1 4.44Å; M1985-I2011 HydrophobicContact SD-CG2 4.14Å; M1985-V2014 HydrophobicContact CE-CB 3.88Å; M1985-V2014 HydrophobicContact CE-CG1 3.32Å; M1985-V2014 HydrophobicContact SD-CG1 4.36Å; M1985-L2015 HydrophobicContact CE-CD2 3.98Å; M1985-L2015 HydrophobicContact CE-CG 3.79Å; M1985-L2015 HydrophobicContact SD-CD2 4.2Å; M1985-L2015 HydrophobicContact SD-CG 4.25Å; M1985-I2018 HydrophobicContact CE-CD1 3.58Å; M1985-I2018 VanDerWaalsContact CE-CD1 3.43Å; M1985-F2037 HydrophobicContact CE-CE1 3.96Å; M1985-F2037 HydrophobicContact CE-CE2 4.37Å; M1985-F2037 HydrophobicContact CE-CZ 3.92Å; M1985-F2037 VanDerWaalsContact CE-CZ 3.4Å; M1985-F2037 HydrophobicContact SD-CZ 4.33Å; M1985-I2041 HydrophobicContact CB-CD1 4.14Å; M1985-I2041 HydrophobicContact CE-CD1 3.71Å; M1985-I2041 HydrophobicContact CE-CG1 4.01Å; M1985-I2041 HydrophobicContact SD-CD1 3.83Å; M1985-I2041 HydrophobicContact SD-CG1 4.08Å; M1985-I2041 HydrophobicContact SD-CG2 4Å |
| 1986 | K | 85.9 | Confident | 79.3 | Confident | 36.75 Ų | 36.75 | 35 Ų | 35 | 16% | 0.16 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -37.6 | 172.8 | -75.9 | 175.3 | -177.5 | 169.4 | 0 | 111.6 | E1982 Y1983 F1984 L1988 L1989 L1992 E2199 | E1982-K1986 HydrophobicContact CG-CD 4.36Å; E1982-K1986 WeakPolarHBondContact O-CB 3.33Å; E1982-K1986 VanDerWaalsContact O-CG 3.31Å; E1982-K1986 WeakPolarHBondContact O-CG 3.44Å; E1982-K1986 PolarHBondContact O-N 3.09Å; E1982-K1986 VanDerWaalsContact OE1-CE 3.27Å; E1982-K1986 WeakPolarHBondContact OE1-CE 3.37Å; E1982-K1986 IonicContact OE1-NZ 3.16Å; E1982-K1986 PolarHBondContact OE1-NZ 3.1Å; Y1983-K1986 HydrophobicContact CD1-CD 4.48Å; Y1983-K1986 PolarHBondContact O-N 3.09Å; F1984-K1986 PolarHBondContact O-N 2.68Å; K1986-L1988 VanDerWaalsContact C-N 3.33Å; K1986-L1989 CarbonylContact O-C 3.05Å; K1986-L1989 PolarHBondContact O-N 2.97Å; K1986-L1992 HydrophobicContact CB-CD1 3.97Å; K1986-L1992 HydrophobicContact CG-CD1 4.13Å; K1986-L1992 WeakPolarHBondContact O-CD1 3.37Å; K1986-E2199 IonicContact NZ-OE1 2.64Å; K1986-E2199 PolarHBondContact NZ-OE1 3.46Å; K1986-E2199 IonicContact NZ-OE2 2.86Å; K1986-E2199 PolarHBondContact NZ-OE2 3.21Å |
| 1987 | T | 83.7 | Confident | 78.6 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 15% | 0.153 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.6 | -34.2 | 177.5 | -54.2 | 0 | 0 | 0 | 0 | 112 | T1937 A1940 K1941 L1944 Y1983 F1984 M1985 L1989 L1997 | T1937-T1987 HydrophobicContact CG2-CG2 3.85Å; T1937-T1987 WeakPolarHBondContact CG2-OG1 3Å; A1940-T1987 HydrophobicContact CB-CG2 3.79Å; K1941-T1987 HydrophobicContact CG-CG2 4.16Å; L1944-T1987 WeakPolarHBondContact CD1-O 3.31Å; Y1983-T1987 WeakPolarHBondContact O-CB 3.33Å; Y1983-T1987 PolarHBondContact O-N 3.26Å; Y1983-T1987 PolarHBondContact O-OG1 3.15Å; F1984-T1987 WeakPolarHBondContact O-CB 3.28Å; F1984-T1987 PolarHBondContact O-N 3.01Å; F1984-T1987 VanDerWaalsContact O-N 3.14Å; M1985-T1987 VanDerWaalsContact C-N 3.26Å; M1985-T1987 PolarHBondContact O-N 3.17Å; T1987-L1989 VanDerWaalsContact C-N 3.26Å; T1987-L1989 PolarHBondContact O-N 3.35Å; T1987-L1997 HydrophobicContact CG2-CD1 4.38Å |
| 1988 | L | 84.5 | Confident | 77.5 | Confident | 1.5 Ų | 1.5 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -28 | 172.6 | -67.9 | 174.8 | 0 | 0 | 0 | 112.4 | A1940 L1943 L1944 F1984 M1985 K1986 I1990 G2007 W2010 I2011 | A1940-L1988 HydrophobicContact CB-CD2 4.01Å; A1940-L1988 HydrophobicContact CB-CG 4.14Å; A1940-L1988 WeakPolarHBondContact O-CD2 3.35Å; L1943-L1988 HydrophobicContact CB-CD2 4.27Å; L1944-L1988 HydrophobicContact CD1-CD2 4.45Å; L1944-L1988 HydrophobicContact CD2-CD2 3.99Å; L1944-L1988 WeakPolarHBondContact CD2-O 3.25Å; L1944-L1988 HydrophobicContact CG-CD2 3.87Å; F1984-L1988 HydrophobicContact CD1-CD1 3.94Å; F1984-L1988 HydrophobicContact CD1-CG 4.49Å; F1984-L1988 HydrophobicContact CE1-CD1 3.45Å; F1984-L1988 VanDerWaalsContact CE1-CD1 3.42Å; F1984-L1988 HydrophobicContact CE1-CG 4.31Å; F1984-L1988 HydrophobicContact CZ-CD1 4.03Å; F1984-L1988 WeakPolarHBondContact O-CG 3.38Å; F1984-L1988 PolarHBondContact O-N 3.2Å; F1984-L1988 VanDerWaalsContact O-N 3.1Å; M1985-L1988 WeakPolarHBondContact O-CB 3.18Å; M1985-L1988 PolarHBondContact O-N 3.12Å; M1985-L1988 VanDerWaalsContact O-N 3.16Å; K1986-L1988 VanDerWaalsContact C-N 3.33Å; L1988-I1990 PolarHBondContact O-N 3.12Å; L1988-I1990 VanDerWaalsContact O-N 3.15Å; L1988-G2007 WeakPolarHBondContact O-CA 3.37Å; L1988-W2010 HydrophobicContact CD1-CB 3.64Å; L1988-W2010 HydrophobicContact CD2-CB 4.3Å; L1988-I2011 HydrophobicContact CB-CD1 4.16Å; L1988-I2011 HydrophobicContact CB-CG1 4.14Å; L1988-I2011 HydrophobicContact CD1-CG1 3.96Å |
| 1989 | L | 82.6 | Confident | 76.3 | Confident | 4.75 Ų | 4.75 | 45 Ų | 45 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | trans | -84.4 | 78.7 | 175.2 | -67.6 | 177.9 | 0 | 0 | 0 | 111.4 | M1985 K1986 T1987 T1991 L1992 F2008 I2011 W2044 C2048 | M1985-L1989 WeakPolarHBondContact O-CG 3.13Å; M1985-L1989 PolarHBondContact O-N 3.09Å; M1985-L1989 VanDerWaalsContact O-N 3.12Å; K1986-L1989 CarbonylContact O-C 3.05Å; K1986-L1989 PolarHBondContact O-N 2.97Å; T1987-L1989 VanDerWaalsContact C-N 3.26Å; T1987-L1989 PolarHBondContact O-N 3.35Å; L1989-T1991 PolarHBondContact O-N 3.47Å; L1989-T1991 VanDerWaalsContact O-N 3.13Å; L1989-L1992 HydrophobicContact CB-CD1 3.82Å; L1989-L1992 HydrophobicContact CB-CG 3.97Å; L1989-L1992 HydrophobicContact CD1-CD1 4.33Å; L1989-L1992 WeakPolarHBondContact O-CB 3.19Å; L1989-L1992 WeakPolarHBondContact O-CG 3.34Å; L1989-L1992 PolarHBondContact O-N 2.92Å; L1989-L1992 VanDerWaalsContact O-N 3.15Å; L1989-F2008 HydrophobicContact CD2-CD1 4.37Å; L1989-F2008 HydrophobicContact CD2-CD2 4.3Å; L1989-F2008 HydrophobicContact CD2-CE1 4.12Å; L1989-F2008 HydrophobicContact CD2-CE2 4.2Å; L1989-F2008 HydrophobicContact CD2-CZ 3.96Å; L1989-I2011 HydrophobicContact CD1-CD1 4.18Å; L1989-I2011 HydrophobicContact CD2-CD1 3.34Å; L1989-I2011 HydrophobicContact CG-CD1 3.5Å; L1989-I2011 VanDerWaalsContact CG-CD1 3.44Å; L1989-W2044 HydrophobicContact CD1-CB 3.74Å; L1989-C2048 HydrophobicContact CB-CB 4.44Å; L1989-C2048 HydrophobicContact CD2-CB 3.95Å | ||
| 1990 | I | 71.9 | Confident | 75.3 | Confident | 4.25 Ų | 4.25 | 45.4 Ų | 45.4 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.7 | -177 | -54.2 | 173.2 | 0 | 0 | 0 | 112.9 | L1944 L1988 L1992 S1995 L1997 L1999 A2003 | L1944-I1990 HydrophobicContact CB-CD1 4.44Å; L1944-I1990 HydrophobicContact CD1-CD1 3.69Å; L1944-I1990 HydrophobicContact CD1-CG1 3.68Å; L1944-I1990 HydrophobicContact CD2-CD1 3.93Å; L1944-I1990 HydrophobicContact CD2-CG1 4.22Å; L1944-I1990 HydrophobicContact CG-CD1 4.24Å; L1944-I1990 HydrophobicContact CG-CG1 4.46Å; L1988-I1990 PolarHBondContact O-N 3.12Å; L1988-I1990 VanDerWaalsContact O-N 3.15Å; I1990-L1992 VanDerWaalsContact C-N 3.26Å; I1990-L1992 PolarHBondContact O-N 3.08Å; I1990-S1995 WeakPolarHBondContact O-CB 3.32Å; I1990-S1995 PolarHBondContact O-OG 3.14Å; I1990-L1997 HydrophobicContact CG1-CD1 4.45Å; I1990-L1997 HydrophobicContact CG2-CB 3.85Å; I1990-L1999 HydrophobicContact CB-CD2 4.34Å; I1990-L1999 HydrophobicContact CG2-CD2 3.64Å; I1990-L1999 HydrophobicContact CG2-CG 4.44Å; I1990-A2003 HydrophobicContact CD1-CB 3.39Å; I1990-A2003 VanDerWaalsContact CD1-CB 3.46Å |
| 1991 | T | 64.4 | Low | 74.2 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 9.7 | -178.9 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | L1989 L1999 E2004 C2048 N2051 V2052 | L1989-T1991 PolarHBondContact O-N 3.47Å; L1989-T1991 VanDerWaalsContact O-N 3.13Å; T1991-L1999 HydrophobicContact CG2-CD2 3.96Å; T1991-E2004 HydrophobicContact CG2-CB 4.3Å; T1991-E2004 HydrophobicContact CG2-CG 4.09Å; T1991-C2048 WeakPolarHBondContact OG1-CA 3.27Å; T1991-C2048 VanDerWaalsContact OG1-CB 3.28Å; T1991-C2048 WeakPolarHBondContact OG1-CB 3.29Å; T1991-C2048 PolarHBondContact OG1-O 2.98Å; T1991-C2048 PolarHBondContact OG1-SG 3.16Å; T1991-C2048 VanDerWaalsContact OG1-SG 3.39Å; T1991-N2051 PolarHBondContact O-ND2 3.37Å; T1991-V2052 HydrophobicContact CG2-CG2 3.7Å; T1991-V2052 VanDerWaalsContact CG2-CG2 3.47Å |
| 1992 | L | 66.8 | Low | 73.3 | Confident | 24.5 Ų | 24.5 | 49.4 Ų | 49.4 | 13% | 0.128 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -64.8 | 143.2 | 170.3 | -78 | 169.2 | 0 | 0 | 0 | 110.4 | K1986 L1989 I1990 N1994 S1995 W2044 C2048 | K1986-L1992 HydrophobicContact CB-CD1 3.97Å; K1986-L1992 HydrophobicContact CG-CD1 4.13Å; K1986-L1992 WeakPolarHBondContact O-CD1 3.37Å; L1989-L1992 HydrophobicContact CB-CD1 3.82Å; L1989-L1992 HydrophobicContact CB-CG 3.97Å; L1989-L1992 HydrophobicContact CD1-CD1 4.33Å; L1989-L1992 WeakPolarHBondContact O-CB 3.19Å; L1989-L1992 WeakPolarHBondContact O-CG 3.34Å; L1989-L1992 PolarHBondContact O-N 2.92Å; L1989-L1992 VanDerWaalsContact O-N 3.15Å; I1990-L1992 VanDerWaalsContact C-N 3.26Å; I1990-L1992 PolarHBondContact O-N 3.08Å; L1992-N1994 PolarHBondContact O-N 3.16Å; L1992-S1995 WeakPolarHBondContact O-CB 3.37Å; L1992-S1995 PolarHBondContact O-N 3.31Å; L1992-S1995 PolarHBondContact O-OG 3.04Å; L1992-W2044 HydrophobicContact CD2-CB 4.34Å; L1992-W2044 HydrophobicContact CD2-CD2 3.88Å; L1992-W2044 HydrophobicContact CD2-CE3 3.19Å; L1992-W2044 HydrophobicContact CD2-CG 4.33Å; L1992-W2044 HydrophobicContact CD2-CZ3 3.74Å; L1992-C2048 VanDerWaalsContact CD2-SG 3.58Å |
| 1993 | P | 58.5 | Low | 72.7 | Confident | 81.5 Ų | 81.5 | 49 Ų | 49 | 53% | 0.529 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.4 | -175.3 | -3.6 | 1.4 | 0 | 0 | 0 | 115.2 | ||
| 1994 | N | 62.8 | Low | 72.2 | Confident | 143.75 Ų | 143.75 | 47.2 Ų | 47.2 | 77% | 0.769 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 4.7 | -177.5 | -63.6 | -16.4 | 0 | 0 | 0 | 113.9 | L1992 K1996 | L1992-N1994 PolarHBondContact O-N 3.16Å; N1994-K1996 PolarHBondContact O-N 3.03Å |
| 1995 | S | 65.3 | Low | 71.5 | Confident | 45 Ų | 45 | 47.9 Ų | 47.9 | 32% | 0.315 | 26% | 0.26 | S | S | . | . | trans | -76.1 | 133.5 | -179.9 | 107.4 | 0 | 0 | 0 | 0 | 111 | I1990 L1992 L1997 | I1990-S1995 WeakPolarHBondContact O-CB 3.32Å; I1990-S1995 PolarHBondContact O-OG 3.14Å; L1992-S1995 WeakPolarHBondContact O-CB 3.37Å; L1992-S1995 PolarHBondContact O-N 3.31Å; L1992-S1995 PolarHBondContact O-OG 3.04Å; S1995-L1997 VanDerWaalsContact C-N 3.3Å; S1995-L1997 PolarHBondContact OG-N 3.02Å | ||
| 1996 | K | 66.7 | Low | 70.9 | Confident | 212.25 Ų | 212.25 | 48.4 Ų | 48.4 | 92% | 0.923 | 26% | 0.262 | S | S | * | . | trans | -99.3 | 7.4 | 174.9 | -63.3 | -175.9 | 179.1 | -178.9 | 0 | 112.9 | N1994 | N1994-K1996 PolarHBondContact O-N 3.03Š| ||
| 1997 | L | 69.4 | Low | 70.7 | Confident | 37.75 Ų | 37.75 | 46.6 Ų | 46.6 | 20% | 0.198 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -83.9 | 140.2 | -173.9 | -76.8 | 162.1 | 0 | 0 | 0 | 110.2 | K1941 L1944 T1987 I1990 S1995 L1999 | K1941-L1997 HydrophobicContact CD-CD2 4.32Å; K1941-L1997 HydrophobicContact CG-CD1 4.18Å; K1941-L1997 HydrophobicContact CG-CD2 4.23Å; L1944-L1997 HydrophobicContact CD1-CD1 4.38Å; T1987-L1997 HydrophobicContact CG2-CD1 4.38Å; I1990-L1997 HydrophobicContact CG1-CD1 4.45Å; I1990-L1997 HydrophobicContact CG2-CB 3.85Å; S1995-L1997 VanDerWaalsContact C-N 3.3Å; S1995-L1997 PolarHBondContact OG-N 3.02Å; L1997-L1999 PolarHBondContact O-N 3.29Å |
| 1998 | P | 66.5 | Low | 70.7 | Confident | 86.5 Ų | 86.5 | 45.7 Ų | 45.7 | 56% | 0.562 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -66.7 | 131.9 | 178.5 | 27 | -32.8 | 0 | 0 | 0 | 110.8 | Y1945 | Y1945-P1998 WeakPolarHBondContact OH-CD 3.32Å; Y1945-P1998 PolarHBondContact OH-O 3.46Å |
| 1999 | L | 62.9 | Low | 70.5 | Confident | 104 Ų | 104 | 47.3 Ų | 47.3 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 124.7 | 171.4 | -65.9 | 170 | 0 | 0 | 0 | 108.6 | I1990 T1991 L1997 E2004 | I1990-L1999 HydrophobicContact CB-CD2 4.34Å; I1990-L1999 HydrophobicContact CG2-CD2 3.64Å; I1990-L1999 HydrophobicContact CG2-CG 4.44Å; T1991-L1999 HydrophobicContact CG2-CD2 3.96Å; L1997-L1999 PolarHBondContact O-N 3.29Å; L1999-E2004 WeakPolarHBondContact CA-OE1 3.34Å; L1999-E2004 VanDerWaalsContact CB-OE1 3.27Å; L1999-E2004 WeakPolarHBondContact CB-OE1 3.35Å; L1999-E2004 HydrophobicContact CD2-CG 3.62Å; L1999-E2004 VanDerWaalsContact CD2-OE1 3.31Å; L1999-E2004 WeakPolarHBondContact CD2-OE1 3.17Å |
| 2000 | D | 64.4 | Low | 70.6 | Confident | 57 Ų | 57 | 47.3 Ų | 47.3 | 31% | 0.305 | 25% | 0.254 | S | S | . | . | trans | -122.5 | 11.4 | -177.5 | 92.8 | 9.6 | 0 | 0 | 0 | 113.1 | H1947 R1948 K2002 A2003 E2004 | H1947-D2000 IonicContact CE1-OD2 3.53Å; H1947-D2000 PolarHBondContact CE1-OD2 3.26Å; H1947-D2000 VanDerWaalsContact CE1-OD2 3.28Å; H1947-D2000 IonicContact NE2-OD2 3.22Å; H1947-D2000 PolarHBondContact NE2-OD2 3.41Å; R1948-D2000 IonicContact CZ-OD2 2.95Å; R1948-D2000 IonicContact NE-OD2 3.36Å; R1948-D2000 IonicContact NH2-OD2 3.6Å; R1948-D2000 PolarHBondContact NH2-OD2 3.27Å; D2000-K2002 VanDerWaalsContact C-N 3.25Å; D2000-K2002 PolarHBondContact O-N 3.02Å; D2000-K2002 PolarHBondContact OD1-N 3.15Å; D2000-A2003 VanDerWaalsContact OD1-CB 3.23Å; D2000-A2003 WeakPolarHBondContact OD1-CB 3.41Å; D2000-A2003 PolarHBondContact OD1-N 3.09Å; D2000-E2004 PolarHBondContact N-OE1 3.04Å | ||
| 2001 | G | 64.5 | Low | 71.4 | Confident | 25.6667 Ų | 25.6667 | 47.1 Ų | 47.1 | 27% | 0.265 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 78 | -12.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E2004 F2005 L2057 | G2001-E2004 WeakPolarHBondContact CA-OE1 3.15Å; G2001-E2004 WeakPolarHBondContact CA-OE2 2.95Å; G2001-E2004 VanDerWaalsContact N-CD 3.32Å; G2001-E2004 PolarHBondContact N-OE1 3.27Å; G2001-E2004 PolarHBondContact N-OE2 3Å; G2001-E2004 VanDerWaalsContact N-OE2 3.17Å; G2001-F2005 WeakPolarHBondContact O-CD2 3.18Å; G2001-F2005 VanDerWaalsContact O-CE2 3.28Å; G2001-F2005 WeakPolarHBondContact O-CE2 3.18Å; G2001-L2057 WeakPolarHBondContact O-CD1 3.22Å |
| 2002 | K | 70.4 | Confident | 72.4 | Confident | 62 Ų | 62 | 47.4 Ų | 47.4 | 27% | 0.27 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -112 | -43.3 | 179.2 | -69.7 | 177.7 | -173.9 | 171.1 | 0 | 112.2 | D2000 E2004 F2005 I2006 L2057 H2066 V2069 W2074 | D2000-K2002 VanDerWaalsContact C-N 3.25Å; D2000-K2002 PolarHBondContact O-N 3.02Å; D2000-K2002 PolarHBondContact OD1-N 3.15Å; K2002-E2004 PolarHBondContact N-OE2 3.35Å; K2002-E2004 VanDerWaalsContact N-OE2 3.09Å; K2002-E2004 PolarHBondContact O-N 3.37Å; K2002-F2005 PolarHBondContact O-N 2.97Å; K2002-F2005 VanDerWaalsContact O-N 3.11Å; K2002-I2006 HydrophobicContact CB-CD1 4.43Å; K2002-I2006 WeakPolarHBondContact O-CD1 3.41Å; K2002-I2006 WeakPolarHBondContact O-CG1 3.36Å; K2002-I2006 PolarHBondContact O-N 3.19Å; K2002-L2057 HydrophobicContact CG-CD2 4.07Å; K2002-H2066 PolarHBondContact NZ-CD2 3.17Å; K2002-H2066 PolarHBondContact NZ-NE2 3.15Å; K2002-V2069 HydrophobicContact CD-CG2 4.33Å; K2002-W2074 HydrophobicContact CB-CH2 3.78Å; K2002-W2074 HydrophobicContact CB-CZ3 3.72Å; K2002-W2074 HydrophobicContact CD-CH2 4.19Å; K2002-W2074 HydrophobicContact CG-CH2 4.05Å; K2002-W2074 HydrophobicContact CG-CZ3 4.21Å; K2002-W2074 VanDerWaalsContact O-CZ3 3.31Å; K2002-W2074 WeakPolarHBondContact O-CZ3 3.42Å |
| 2003 | A | 72.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -27.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1944 Y1945 I1990 D2000 F2005 I2006 G2007 | L1944-A2003 HydrophobicContact CB-CB 4.48Å; Y1945-A2003 HydrophobicContact CD1-CB 4.42Å; Y1945-A2003 HydrophobicContact CE1-CB 4Å; I1990-A2003 HydrophobicContact CD1-CB 3.39Å; I1990-A2003 VanDerWaalsContact CD1-CB 3.46Å; D2000-A2003 VanDerWaalsContact OD1-CB 3.23Å; D2000-A2003 WeakPolarHBondContact OD1-CB 3.41Å; D2000-A2003 PolarHBondContact OD1-N 3.09Å; A2003-F2005 VanDerWaalsContact C-N 3.28Å; A2003-F2005 PolarHBondContact O-N 2.97Å; A2003-I2006 PolarHBondContact O-N 3.14Å; A2003-G2007 PolarHBondContact O-N 3.13Å |
| 2004 | E | 73.9 | Confident | 74.6 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -34.7 | 173.6 | -58.3 | 87.7 | 166.2 | 0 | 0 | 112.1 | T1991 L1999 D2000 G2001 K2002 F2008 V2052 | T1991-E2004 HydrophobicContact CG2-CB 4.3Å; T1991-E2004 HydrophobicContact CG2-CG 4.09Å; L1999-E2004 WeakPolarHBondContact CA-OE1 3.34Å; L1999-E2004 VanDerWaalsContact CB-OE1 3.27Å; L1999-E2004 WeakPolarHBondContact CB-OE1 3.35Å; L1999-E2004 HydrophobicContact CD2-CG 3.62Å; L1999-E2004 VanDerWaalsContact CD2-OE1 3.31Å; L1999-E2004 WeakPolarHBondContact CD2-OE1 3.17Å; D2000-E2004 PolarHBondContact N-OE1 3.04Å; G2001-E2004 WeakPolarHBondContact CA-OE1 3.15Å; G2001-E2004 WeakPolarHBondContact CA-OE2 2.95Å; G2001-E2004 VanDerWaalsContact N-CD 3.32Å; G2001-E2004 PolarHBondContact N-OE1 3.27Å; G2001-E2004 PolarHBondContact N-OE2 3Å; G2001-E2004 VanDerWaalsContact N-OE2 3.17Å; K2002-E2004 PolarHBondContact N-OE2 3.35Å; K2002-E2004 VanDerWaalsContact N-OE2 3.09Å; K2002-E2004 PolarHBondContact O-N 3.37Å; E2004-F2008 VanDerWaalsContact O-CD2 3.28Å; E2004-F2008 WeakPolarHBondContact O-CD2 3.29Å; E2004-F2008 VanDerWaalsContact O-CE2 3.27Å; E2004-F2008 WeakPolarHBondContact O-CE2 3.33Å; E2004-V2052 HydrophobicContact CB-CG1 3.83Å; E2004-V2052 HydrophobicContact CB-CG2 3.87Å; E2004-V2052 HydrophobicContact CG-CG1 4.4Å; E2004-V2052 HydrophobicContact CG-CG2 4.3Å |
| 2005 | F | 74.1 | Confident | 75.8 | Confident | 14.6667 Ų | 14.6667 | 35.8 Ų | 35.8 | 6% | 0.064 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -86.4 | -37.8 | 179.3 | -64.7 | -85.2 | 0 | 0 | 0 | 112.5 | G2001 K2002 A2003 G2007 F2008 Y2009 V2052 V2054 L2057 A2058 V2061 V2072 W2074 Y2079 I2131 | G2001-F2005 WeakPolarHBondContact O-CD2 3.18Å; G2001-F2005 VanDerWaalsContact O-CE2 3.28Å; G2001-F2005 WeakPolarHBondContact O-CE2 3.18Å; K2002-F2005 PolarHBondContact O-N 2.97Å; K2002-F2005 VanDerWaalsContact O-N 3.11Å; A2003-F2005 VanDerWaalsContact C-N 3.28Å; A2003-F2005 PolarHBondContact O-N 2.97Å; F2005-G2007 VanDerWaalsContact C-N 3.29Å; F2005-G2007 PolarHBondContact O-N 3.07Å; F2005-F2008 PolarHBondContact O-N 2.85Å; F2005-Y2009 PolarHBondContact O-N 2.88Å; F2005-V2052 HydrophobicContact CD1-CG1 4.23Å; F2005-V2052 HydrophobicContact CD2-CG1 4.31Å; F2005-V2052 HydrophobicContact CE1-CB 4.36Å; F2005-V2052 HydrophobicContact CE1-CG1 3.63Å; F2005-V2052 HydrophobicContact CE2-CG1 3.92Å; F2005-V2052 HydrophobicContact CZ-CG1 3.58Å; F2005-V2054 HydrophobicContact CE1-CB 4.33Å; F2005-V2054 HydrophobicContact CE1-CG1 4.06Å; F2005-V2054 HydrophobicContact CE1-CG2 3.53Å; F2005-V2054 HydrophobicContact CE2-CG1 4.33Å; F2005-V2054 HydrophobicContact CZ-CB 3.71Å; F2005-V2054 HydrophobicContact CZ-CG1 3.59Å; F2005-V2054 HydrophobicContact CZ-CG2 3.27Å; F2005-L2057 HydrophobicContact CD1-CD1 4.37Å; F2005-L2057 HydrophobicContact CD2-CD1 4.03Å; F2005-L2057 HydrophobicContact CD2-CD2 4.17Å; F2005-L2057 HydrophobicContact CE1-CD1 3.93Å; F2005-L2057 HydrophobicContact CE2-CD1 3.48Å; F2005-L2057 HydrophobicContact CE2-CD2 4.29Å; F2005-L2057 HydrophobicContact CG-CD1 4.29Å; F2005-L2057 HydrophobicContact CZ-CD1 3.3Å; F2005-A2058 HydrophobicContact CE2-CB 4.48Å; F2005-A2058 HydrophobicContact CZ-CB 3.78Å; F2005-V2061 HydrophobicContact CE2-CG2 3.94Å; F2005-V2061 HydrophobicContact CZ-CG2 4.07Å; F2005-V2072 HydrophobicContact CB-CG1 4.4Å; F2005-V2072 HydrophobicContact CB-CG2 3.95Å; F2005-V2072 WeakPolarHBondContact O-CG2 3.39Å; F2005-W2074 HydrophobicContact CB-CE3 3.88Å; F2005-W2074 HydrophobicContact CB-CZ3 4.49Å; F2005-W2074 AromaticContact CD1-CH2 3.53Å; F2005-W2074 HydrophobicContact CD1-CH2 3.53Å; F2005-W2074 AromaticContact CD1-CZ2 3.76Å; F2005-W2074 HydrophobicContact CD1-CZ2 3.76Å; F2005-W2074 HydrophobicContact CD1-CZ3 4.47Å; F2005-W2074 AromaticContact CE1-CH2 3.22Å; F2005-W2074 HydrophobicContact CE1-CH2 3.22Å; F2005-W2074 AromaticContact CE1-CZ2 3.89Å; F2005-W2074 HydrophobicContact CE1-CZ2 3.89Å; F2005-W2074 HydrophobicContact CE1-CZ3 4.09Å; F2005-W2074 HydrophobicContact CG-CZ2 4.44Å; F2005-W2074 HydrophobicContact CZ-CH2 4.03Å; F2005-Y2079 HydrophobicContact CE1-CE1 4.06Å; F2005-I2131 HydrophobicContact CD1-CD1 3.68Å; F2005-I2131 HydrophobicContact CD1-CG1 3.8Å; F2005-I2131 HydrophobicContact CE1-CD1 3.93Å; F2005-I2131 HydrophobicContact CE1-CG1 3.82Å; F2005-I2131 HydrophobicContact CG-CD1 4.3Å; F2005-I2131 HydrophobicContact CZ-CD1 4.34Å; F2005-I2131 HydrophobicContact CZ-CG1 4.12Å |
| 2006 | I | 76.8 | Confident | 76.8 | Confident | 11 Ų | 11 | 34.5 Ų | 34.5 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -36 | -176.5 | -66.5 | 164.3 | 0 | 0 | 0 | 111.3 | L1944 H1947 K2002 A2003 F2008 Y2009 W2010 A2068 W2074 | L1944-I2006 VanDerWaalsContact O-CD1 3.23Å; L1944-I2006 WeakPolarHBondContact O-CD1 2.77Å; H1947-I2006 HydrophobicContact CB-CD1 3.53Å; H1947-I2006 VanDerWaalsContact CB-CD1 3.44Å; H1947-I2006 VanDerWaalsContact CG-CD1 3.41Å; H1947-I2006 WeakPolarHBondContact ND1-CD1 3.3Å; K2002-I2006 HydrophobicContact CB-CD1 4.43Å; K2002-I2006 WeakPolarHBondContact O-CD1 3.41Å; K2002-I2006 WeakPolarHBondContact O-CG1 3.36Å; K2002-I2006 PolarHBondContact O-N 3.19Å; A2003-I2006 PolarHBondContact O-N 3.14Å; I2006-F2008 VanDerWaalsContact C-N 3.26Å; I2006-F2008 PolarHBondContact O-N 3.23Å; I2006-Y2009 WeakPolarHBondContact O-CB 3.26Å; I2006-Y2009 PolarHBondContact O-N 3.07Å; I2006-Y2009 VanDerWaalsContact O-N 3.15Å; I2006-W2010 VanDerWaalsContact CG2-CD1 3.41Å; I2006-W2010 PolarHBondContact O-N 3.38Å; I2006-W2010 VanDerWaalsContact O-N 3.12Å; I2006-A2068 HydrophobicContact CD1-CB 4.24Å; I2006-W2074 HydrophobicContact CB-CZ3 4.43Å; I2006-W2074 HydrophobicContact CD1-CE3 4.22Å; I2006-W2074 HydrophobicContact CD1-CH2 3.42Å; I2006-W2074 VanDerWaalsContact CD1-CH2 3.42Å; I2006-W2074 HydrophobicContact CD1-CZ2 4.31Å; I2006-W2074 HydrophobicContact CD1-CZ3 3.43Å; I2006-W2074 VanDerWaalsContact CD1-CZ3 3.43Å; I2006-W2074 HydrophobicContact CG1-CD2 4.26Å; I2006-W2074 HydrophobicContact CG1-CE3 3.35Å; I2006-W2074 HydrophobicContact CG1-CH2 3.53Å; I2006-W2074 HydrophobicContact CG1-CZ2 4.33Å; I2006-W2074 HydrophobicContact CG1-CZ3 3.04Å |
| 2007 | G | 82.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.6 | -43.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1988 A2003 F2005 Y2009 W2010 I2011 | L1988-G2007 WeakPolarHBondContact O-CA 3.37Å; A2003-G2007 PolarHBondContact O-N 3.13Å; F2005-G2007 VanDerWaalsContact C-N 3.29Å; F2005-G2007 PolarHBondContact O-N 3.07Å; G2007-Y2009 PolarHBondContact O-N 3.28Å; G2007-W2010 PolarHBondContact O-N 3.28Å; G2007-I2011 WeakPolarHBondContact O-CD1 3.4Å; G2007-I2011 VanDerWaalsContact O-CG1 3.26Å; G2007-I2011 WeakPolarHBondContact O-CG1 3.21Å; G2007-I2011 PolarHBondContact O-N 3.09Å; G2007-I2011 VanDerWaalsContact O-N 3.09Å |
| 2008 | F | 82.6 | Confident | 78.7 | Confident | 5.33333 Ų | 5.33333 | 22.9 Ų | 22.9 | 2% | 0.023 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | 179.6 | -75.6 | -90.1 | 0 | 0 | 0 | 113.2 | L1989 E2004 F2005 I2006 I2011 Q2012 S2045 C2048 V2052 T2075 I2131 M2134 | L1989-F2008 HydrophobicContact CD2-CD1 4.37Å; L1989-F2008 HydrophobicContact CD2-CD2 4.3Å; L1989-F2008 HydrophobicContact CD2-CE1 4.12Å; L1989-F2008 HydrophobicContact CD2-CE2 4.2Å; L1989-F2008 HydrophobicContact CD2-CZ 3.96Å; E2004-F2008 VanDerWaalsContact O-CD2 3.28Å; E2004-F2008 WeakPolarHBondContact O-CD2 3.29Å; E2004-F2008 VanDerWaalsContact O-CE2 3.27Å; E2004-F2008 WeakPolarHBondContact O-CE2 3.33Å; F2005-F2008 PolarHBondContact O-N 2.85Å; I2006-F2008 VanDerWaalsContact C-N 3.26Å; I2006-F2008 PolarHBondContact O-N 3.23Å; F2008-I2011 PolarHBondContact O-N 3.21Å; F2008-Q2012 WeakPolarHBondContact O-CG 3.32Å; F2008-Q2012 PolarHBondContact O-N 3.28Å; F2008-Q2012 VanDerWaalsContact O-N 3.08Å; F2008-S2045 WeakPolarHBondContact CE1-O 3.41Å; F2008-S2045 VanDerWaalsContact CZ-O 3.29Å; F2008-S2045 WeakPolarHBondContact CZ-O 3.4Å; F2008-C2048 HydrophobicContact CE1-CB 4.43Å; F2008-C2048 HydrophobicContact CE2-CB 3.82Å; F2008-C2048 HydrophobicContact CZ-CB 3.68Å; F2008-V2052 HydrophobicContact CE2-CG2 4.35Å; F2008-T2075 WeakPolarHBondContact CB-OG1 3.18Å; F2008-I2131 HydrophobicContact CB-CD1 4.31Å; F2008-I2131 HydrophobicContact CB-CG2 4.15Å; F2008-I2131 HydrophobicContact CD1-CG2 3.83Å; F2008-I2131 HydrophobicContact CD2-CD1 3.47Å; F2008-I2131 VanDerWaalsContact CD2-CD1 3.41Å; F2008-I2131 HydrophobicContact CD2-CG2 4.26Å; F2008-I2131 HydrophobicContact CE1-CD1 4.46Å; F2008-I2131 HydrophobicContact CE1-CG2 4.27Å; F2008-I2131 HydrophobicContact CE2-CD1 3.52Å; F2008-I2131 VanDerWaalsContact CE2-CD1 3.46Å; F2008-I2131 HydrophobicContact CE2-CG2 4.47Å; F2008-I2131 HydrophobicContact CG-CD1 4.09Å; F2008-I2131 HydrophobicContact CG-CG2 3.82Å; F2008-I2131 HydrophobicContact CZ-CD1 4.02Å; F2008-I2131 HydrophobicContact CZ-CG2 4.5Å; F2008-M2134 HydrophobicContact CD1-CE 4.11Å |
| 2009 | Y | 81.8 | Confident | 79.7 | Confident | 35 Ų | 35 | 18.8 Ų | 18.8 | 14% | 0.137 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 176 | 169.9 | -107.4 | 0 | 0 | 0 | 111.5 | T1958 F2005 I2006 G2007 I2011 Q2012 V2013 H2071 Q2073 W2074 T2075 | T1958-Y2009 WeakPolarHBondContact CB-OH 3.28Å; T1958-Y2009 HydrophobicContact CG2-CE1 4.26Å; T1958-Y2009 VanDerWaalsContact CG2-OH 3.22Å; T1958-Y2009 WeakPolarHBondContact CG2-OH 3.33Å; T1958-Y2009 PolarHBondContact OG1-OH 2.94Å; F2005-Y2009 PolarHBondContact O-N 2.88Å; I2006-Y2009 WeakPolarHBondContact O-CB 3.26Å; I2006-Y2009 PolarHBondContact O-N 3.07Å; I2006-Y2009 VanDerWaalsContact O-N 3.15Å; G2007-Y2009 PolarHBondContact O-N 3.28Å; Y2009-I2011 VanDerWaalsContact C-N 3.3Å; Y2009-I2011 PolarHBondContact O-N 3.06Å; Y2009-Q2012 WeakPolarHBondContact O-CB 3.3Å; Y2009-Q2012 PolarHBondContact O-N 2.91Å; Y2009-Q2012 VanDerWaalsContact O-N 3.1Å; Y2009-V2013 HydrophobicContact CD1-CG2 4.39Å; Y2009-V2013 HydrophobicContact CD2-CG2 3.99Å; Y2009-V2013 HydrophobicContact CE1-CG2 4.02Å; Y2009-V2013 HydrophobicContact CE2-CG2 3.98Å; Y2009-V2013 HydrophobicContact CG-CG2 4.47Å; Y2009-V2013 WeakPolarHBondContact O-CG2 3.37Å; Y2009-V2013 PolarHBondContact O-N 3.35Å; Y2009-V2013 VanDerWaalsContact O-N 3.11Å; Y2009-H2071 HydrophobicContact CD2-CB 3.71Å; Y2009-H2071 HydrophobicContact CE2-CB 3.67Å; Y2009-H2071 HydrophobicContact CG-CB 4.25Å; Y2009-Q2073 WeakPolarHBondContact CD2-O 3.35Å; Y2009-Q2073 HydrophobicContact CE2-CB 4.13Å; Y2009-Q2073 WeakPolarHBondContact CE2-O 3Å; Y2009-W2074 AromaticContact CD1-CE3 3.95Å; Y2009-W2074 HydrophobicContact CD1-CE3 3.95Å; Y2009-W2074 HydrophobicContact CD1-CZ3 4.47Å; Y2009-W2074 HydrophobicContact CE1-CB 4.07Å; Y2009-W2074 HydrophobicContact CE1-CD2 4.03Å; Y2009-W2074 AromaticContact CE1-CE3 3.42Å; Y2009-W2074 HydrophobicContact CE1-CE3 3.42Å; Y2009-W2074 VanDerWaalsContact CE1-CE3 3.42Å; Y2009-W2074 HydrophobicContact CE1-CG 4.35Å; Y2009-W2074 HydrophobicContact CE1-CZ3 4.12Å; Y2009-W2074 HydrophobicContact CE2-CB 4.08Å; Y2009-W2074 VanDerWaalsContact OH-CB 3.29Å; Y2009-W2074 WeakPolarHBondContact OH-CB 3.28Å; Y2009-T2075 HydrophobicContact CD2-CG2 3.04Å; Y2009-T2075 HydrophobicContact CE2-CG2 3.39Å; Y2009-T2075 HydrophobicContact CG-CG2 3.84Å; Y2009-T2075 PolarHBondContact N-OG1 3.01Å |
| 2010 | W | 84.6 | Confident | 80.7 | Confident | 5.66667 Ų | 5.66667 | 15.7 Ų | 15.7 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.6 | -33.5 | 178.8 | -72.9 | 116.4 | 0 | 0 | 0 | 112.5 | L1943 I1946 T1958 I1961 L1988 I2006 G2007 Q2012 V2013 V2014 | L1943-W2010 HydrophobicContact CB-CD2 4.3Å; L1943-W2010 HydrophobicContact CB-CG 4.27Å; L1943-W2010 HydrophobicContact CD1-CD2 4.17Å; L1943-W2010 HydrophobicContact CD1-CE3 4.15Å; L1943-W2010 HydrophobicContact CD1-CG 4.32Å; L1943-W2010 HydrophobicContact CD2-CD2 4.28Å; L1943-W2010 HydrophobicContact CD2-CE3 4.2Å; L1943-W2010 HydrophobicContact CD2-CH2 4.04Å; L1943-W2010 HydrophobicContact CD2-CZ2 3.88Å; L1943-W2010 HydrophobicContact CD2-CZ3 4.27Å; L1943-W2010 HydrophobicContact CG-CD2 4.48Å; L1943-W2010 PolarHBondContact O-NE1 2.95Å; L1943-W2010 VanDerWaalsContact O-NE1 3.08Å; I1946-W2010 HydrophobicContact CD1-CH2 4.48Å; I1946-W2010 HydrophobicContact CD1-CZ2 3.81Å; I1946-W2010 HydrophobicContact CG2-CZ2 4.38Å; T1958-W2010 HydrophobicContact CG2-CH2 4.45Å; T1958-W2010 HydrophobicContact CG2-CZ3 4.33Å; I1961-W2010 HydrophobicContact CB-CE3 4.43Å; I1961-W2010 HydrophobicContact CB-CH2 4.2Å; I1961-W2010 HydrophobicContact CB-CZ3 3.83Å; I1961-W2010 HydrophobicContact CG1-CE3 4.4Å; I1961-W2010 HydrophobicContact CG1-CH2 4.18Å; I1961-W2010 HydrophobicContact CG1-CZ3 3.85Å; I1961-W2010 HydrophobicContact CG2-CE3 4.25Å; I1961-W2010 HydrophobicContact CG2-CZ3 4.07Å; L1988-W2010 HydrophobicContact CD1-CB 3.64Å; L1988-W2010 HydrophobicContact CD2-CB 4.3Å; I2006-W2010 VanDerWaalsContact CG2-CD1 3.41Å; I2006-W2010 PolarHBondContact O-N 3.38Å; I2006-W2010 VanDerWaalsContact O-N 3.12Å; G2007-W2010 PolarHBondContact O-N 3.28Å; W2010-Q2012 VanDerWaalsContact C-N 3.35Å; W2010-V2013 HydrophobicContact CE3-CB 4.41Å; W2010-V2013 HydrophobicContact CE3-CG1 4.05Å; W2010-V2013 HydrophobicContact CE3-CG2 4.44Å; W2010-V2013 HydrophobicContact CZ3-CG1 4.27Å; W2010-V2013 WeakPolarHBondContact O-CB 3.31Å; W2010-V2013 PolarHBondContact O-N 2.94Å; W2010-V2014 WeakPolarHBondContact O-CB 3.22Å; W2010-V2014 VanDerWaalsContact O-CG2 3.26Å; W2010-V2014 WeakPolarHBondContact O-CG2 3.2Å; W2010-V2014 PolarHBondContact O-N 3.32Å |
| 2011 | I | 87.6 | Confident | 81.7 | Confident | 0.333333 Ų | 0.333333 | 13.1 Ų | 13.1 | 0% | 0.002 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 174 | -67.7 | 163.4 | 0 | 0 | 0 | 110.9 | M1985 L1988 L1989 G2007 F2008 Y2009 V2013 V2014 L2015 I2041 M2134 | M1985-I2011 HydrophobicContact CB-CG1 4.28Å; M1985-I2011 HydrophobicContact CG-CG1 4.16Å; M1985-I2011 HydrophobicContact CG-CG2 4.49Å; M1985-I2011 HydrophobicContact SD-CG1 4.44Å; M1985-I2011 HydrophobicContact SD-CG2 4.14Å; L1988-I2011 HydrophobicContact CB-CD1 4.16Å; L1988-I2011 HydrophobicContact CB-CG1 4.14Å; L1988-I2011 HydrophobicContact CD1-CG1 3.96Å; L1989-I2011 HydrophobicContact CD1-CD1 4.18Å; L1989-I2011 HydrophobicContact CD2-CD1 3.34Å; L1989-I2011 HydrophobicContact CG-CD1 3.5Å; L1989-I2011 VanDerWaalsContact CG-CD1 3.44Å; G2007-I2011 WeakPolarHBondContact O-CD1 3.4Å; G2007-I2011 VanDerWaalsContact O-CG1 3.26Å; G2007-I2011 WeakPolarHBondContact O-CG1 3.21Å; G2007-I2011 PolarHBondContact O-N 3.09Å; G2007-I2011 VanDerWaalsContact O-N 3.09Å; F2008-I2011 PolarHBondContact O-N 3.21Å; Y2009-I2011 VanDerWaalsContact C-N 3.3Å; Y2009-I2011 PolarHBondContact O-N 3.06Å; I2011-V2013 PolarHBondContact O-N 3.26Å; I2011-V2014 PolarHBondContact O-N 2.98Å; I2011-L2015 HydrophobicContact CG2-CD1 3.55Å; I2011-L2015 VanDerWaalsContact CG2-CD1 3.4Å; I2011-L2015 HydrophobicContact CG2-CG 4.1Å; I2011-L2015 VanDerWaalsContact O-CB 3.24Å; I2011-L2015 WeakPolarHBondContact O-CB 3.37Å; I2011-L2015 VanDerWaalsContact O-CG 3.25Å; I2011-L2015 WeakPolarHBondContact O-CG 3.34Å; I2011-L2015 PolarHBondContact O-N 2.9Å; I2011-I2041 HydrophobicContact CG2-CG2 4.24Å; I2011-M2134 HydrophobicContact CB-CE 3.9Å; I2011-M2134 HydrophobicContact CG2-CE 3.76Å; I2011-M2134 VanDerWaalsContact CG2-CE 3.49Å; I2011-M2134 HydrophobicContact CG2-SD 4.11Å |
| 2012 | Q | 84.9 | Confident | 82.8 | Confident | 25.3333 Ų | 25.3333 | 11.9 Ų | 11.9 | 12% | 0.118 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.1 | -48.6 | 174.4 | -72.9 | 176.1 | -1.1 | 0 | 0 | 111.8 | F2008 Y2009 W2010 V2014 L2015 S2016 M2134 Y2137 | F2008-Q2012 WeakPolarHBondContact O-CG 3.32Å; F2008-Q2012 PolarHBondContact O-N 3.28Å; F2008-Q2012 VanDerWaalsContact O-N 3.08Å; Y2009-Q2012 WeakPolarHBondContact O-CB 3.3Å; Y2009-Q2012 PolarHBondContact O-N 2.91Å; Y2009-Q2012 VanDerWaalsContact O-N 3.1Å; W2010-Q2012 VanDerWaalsContact C-N 3.35Å; Q2012-V2014 PolarHBondContact O-N 3.13Å; Q2012-L2015 PolarHBondContact O-N 3.23Å; Q2012-S2016 PolarHBondContact O-N 3.01Å; Q2012-M2134 HydrophobicContact CB-CE 4.15Å; Q2012-M2134 HydrophobicContact CB-SD 4.46Å; Q2012-M2134 HydrophobicContact CG-CE 3.72Å; Q2012-M2134 HydrophobicContact CG-SD 3.66Å; Q2012-M2134 WeakPolarHBondContact CG-SD 3.42Å; Q2012-Y2137 HydrophobicContact CB-CD1 4.13Å; Q2012-Y2137 HydrophobicContact CB-CD2 4.41Å; Q2012-Y2137 HydrophobicContact CB-CE1 3.77Å; Q2012-Y2137 HydrophobicContact CB-CE2 4.17Å; Q2012-Y2137 HydrophobicContact CB-CG 4.35Å; Q2012-Y2137 HydrophobicContact CG-CD1 3.97Å; Q2012-Y2137 HydrophobicContact CG-CD2 4.27Å; Q2012-Y2137 HydrophobicContact CG-CE1 4.15Å; Q2012-Y2137 HydrophobicContact CG-CE2 4.35Å; Q2012-Y2137 HydrophobicContact CG-CG 4.03Å; Q2012-Y2137 VanDerWaalsContact O-CE1 3.24Å; Q2012-Y2137 WeakPolarHBondContact O-CE1 3.35Å; Q2012-Y2137 PolarHBondContact O-OH 3.18Å |
| 2013 | V | 83.1 | Confident | 83.4 | Confident | 5.33333 Ų | 5.33333 | 10.4 Ų | 10.4 | 3% | 0.032 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -52.8 | -55.2 | 176.3 | 161.8 | 0 | 0 | 0 | 0 | 110.5 | T1958 I1961 H1962 Y2009 W2010 I2011 L2015 S2016 D2017 | T1958-V2013 HydrophobicContact CG2-CG1 4.3Å; T1958-V2013 HydrophobicContact CG2-CG2 3.88Å; I1961-V2013 HydrophobicContact CG2-CG1 4.29Å; H1962-V2013 WeakPolarHBondContact CD2-CG1 3.1Å; H1962-V2013 PolarHBondContact CE1-O 3.18Å; H1962-V2013 VanDerWaalsContact CE1-O 3.24Å; H1962-V2013 PolarHBondContact ND1-O 3.06Å; H1962-V2013 WeakPolarHBondContact NE2-CA 3.12Å; H1962-V2013 WeakPolarHBondContact NE2-CB 3.08Å; H1962-V2013 WeakPolarHBondContact NE2-CG1 3.1Å; Y2009-V2013 HydrophobicContact CD1-CG2 4.39Å; Y2009-V2013 HydrophobicContact CD2-CG2 3.99Å; Y2009-V2013 HydrophobicContact CE1-CG2 4.02Å; Y2009-V2013 HydrophobicContact CE2-CG2 3.98Å; Y2009-V2013 HydrophobicContact CG-CG2 4.47Å; Y2009-V2013 WeakPolarHBondContact O-CG2 3.37Å; Y2009-V2013 PolarHBondContact O-N 3.35Å; Y2009-V2013 VanDerWaalsContact O-N 3.11Å; W2010-V2013 HydrophobicContact CE3-CB 4.41Å; W2010-V2013 HydrophobicContact CE3-CG1 4.05Å; W2010-V2013 HydrophobicContact CE3-CG2 4.44Å; W2010-V2013 HydrophobicContact CZ3-CG1 4.27Å; W2010-V2013 WeakPolarHBondContact O-CB 3.31Å; W2010-V2013 PolarHBondContact O-N 2.94Å; I2011-V2013 PolarHBondContact O-N 3.26Å; V2013-L2015 PolarHBondContact O-N 3.47Å; V2013-S2016 WeakPolarHBondContact O-CB 3.33Å; V2013-S2016 PolarHBondContact O-N 3.36Å; V2013-S2016 PolarHBondContact O-OG 3.19Å; V2013-D2017 PolarHBondContact O-N 3.04Å |
| 2014 | V | 88.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.2 | -41 | -177.7 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | I1961 V1965 L1981 F1984 M1985 W2010 I2011 Q2012 S2016 D2017 I2018 | I1961-V2014 HydrophobicContact CG2-CG2 4.31Å; V1965-V2014 HydrophobicContact CG1-CG1 4.06Å; V1965-V2014 HydrophobicContact CG2-CG1 4.36Å; V1965-V2014 HydrophobicContact CG2-CG2 4.06Å; L1981-V2014 HydrophobicContact CD2-CG1 4.24Å; F1984-V2014 HydrophobicContact CE1-CG2 3.79Å; F1984-V2014 HydrophobicContact CZ-CG2 4.42Å; M1985-V2014 HydrophobicContact CE-CB 3.88Å; M1985-V2014 HydrophobicContact CE-CG1 3.32Å; M1985-V2014 HydrophobicContact SD-CG1 4.36Å; W2010-V2014 WeakPolarHBondContact O-CB 3.22Å; W2010-V2014 VanDerWaalsContact O-CG2 3.26Å; W2010-V2014 WeakPolarHBondContact O-CG2 3.2Å; W2010-V2014 PolarHBondContact O-N 3.32Å; I2011-V2014 PolarHBondContact O-N 2.98Å; Q2012-V2014 PolarHBondContact O-N 3.13Å; V2014-S2016 VanDerWaalsContact C-N 3.31Å; V2014-S2016 PolarHBondContact O-N 3.19Å; V2014-D2017 PolarHBondContact O-N 3.01Å; V2014-I2018 HydrophobicContact CG1-CD1 3.74Å; V2014-I2018 HydrophobicContact CG1-CG1 4.3Å; V2014-I2018 VanDerWaalsContact O-CG1 3.27Å; V2014-I2018 WeakPolarHBondContact O-CG1 3.23Å; V2014-I2018 PolarHBondContact O-N 2.93Å; V2014-I2018 VanDerWaalsContact O-N 3.1Å |
| 2015 | L | 89.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.8 | -38.6 | 178.1 | -79.5 | 170.3 | 0 | 0 | 0 | 112.3 | M1985 I2011 Q2012 V2013 D2017 I2018 V2019 F2037 I2038 I2041 M2134 I2138 | M1985-L2015 HydrophobicContact CE-CD2 3.98Å; M1985-L2015 HydrophobicContact CE-CG 3.79Å; M1985-L2015 HydrophobicContact SD-CD2 4.2Å; M1985-L2015 HydrophobicContact SD-CG 4.25Å; I2011-L2015 HydrophobicContact CG2-CD1 3.55Å; I2011-L2015 VanDerWaalsContact CG2-CD1 3.4Å; I2011-L2015 HydrophobicContact CG2-CG 4.1Å; I2011-L2015 VanDerWaalsContact O-CB 3.24Å; I2011-L2015 WeakPolarHBondContact O-CB 3.37Å; I2011-L2015 VanDerWaalsContact O-CG 3.25Å; I2011-L2015 WeakPolarHBondContact O-CG 3.34Å; I2011-L2015 PolarHBondContact O-N 2.9Å; Q2012-L2015 PolarHBondContact O-N 3.23Å; V2013-L2015 PolarHBondContact O-N 3.47Å; L2015-D2017 VanDerWaalsContact C-N 3.34Å; L2015-D2017 PolarHBondContact O-N 3.29Å; L2015-I2018 HydrophobicContact CD2-CD1 4.4Å; L2015-I2018 PolarHBondContact O-N 3.03Å; L2015-V2019 WeakPolarHBondContact O-CB 3.38Å; L2015-V2019 VanDerWaalsContact O-CG2 3.26Å; L2015-V2019 WeakPolarHBondContact O-CG2 3.31Å; L2015-V2019 PolarHBondContact O-N 3.03Å; L2015-F2037 HydrophobicContact CD2-CE1 4.4Å; L2015-I2038 HydrophobicContact CD2-CD1 3.76Å; L2015-I2041 HydrophobicContact CD1-CG2 4.01Å; L2015-I2041 HydrophobicContact CD2-CG2 4.24Å; L2015-I2041 HydrophobicContact CG-CG2 4.48Å; L2015-M2134 HydrophobicContact CD1-CE 3.95Å; L2015-M2134 VanDerWaalsContact CD1-CE 3.49Å; L2015-M2134 HydrophobicContact CD1-CG 3.98Å; L2015-M2134 HydrophobicContact CD1-SD 3.94Å; L2015-I2138 HydrophobicContact CB-CD1 3.78Å; L2015-I2138 HydrophobicContact CD1-CD1 3.88Å; L2015-I2138 HydrophobicContact CD1-CG1 4.24Å; L2015-I2138 HydrophobicContact CD2-CD1 4.32Å; L2015-I2138 HydrophobicContact CG-CD1 4.18Å |
| 2016 | S | 85.3 | Confident | 85.2 | Confident | 16.6667 Ų | 16.6667 | 11.4 Ų | 11.4 | 12% | 0.117 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.6 | -46.5 | 176.6 | 140.1 | 0 | 0 | 0 | 0 | 111.8 | H1962 Q2012 V2013 V2014 I2018 V2019 I2020 Y2137 H2146 | H1962-S2016 PolarHBondContact CE1-OG 3.48Å; Q2012-S2016 PolarHBondContact O-N 3.01Å; V2013-S2016 WeakPolarHBondContact O-CB 3.33Å; V2013-S2016 PolarHBondContact O-N 3.36Å; V2013-S2016 PolarHBondContact O-OG 3.19Å; V2014-S2016 VanDerWaalsContact C-N 3.31Å; V2014-S2016 PolarHBondContact O-N 3.19Å; S2016-I2018 PolarHBondContact O-N 3.35Å; S2016-V2019 PolarHBondContact O-N 3.22Å; S2016-I2020 WeakPolarHBondContact O-CD1 2.93Å; S2016-I2020 VanDerWaalsContact O-CG1 3.29Å; S2016-I2020 WeakPolarHBondContact O-CG1 3.36Å; S2016-I2020 PolarHBondContact O-N 2.98Å; S2016-I2020 VanDerWaalsContact O-N 3.09Å; S2016-Y2137 VanDerWaalsContact CB-OH 3.3Å; S2016-Y2137 WeakPolarHBondContact CB-OH 3.4Å; S2016-H2146 PolarHBondContact OG-NE2 3.12Å |
| 2017 | D | 85.8 | Confident | 85.7 | Confident | 7.33333 Ų | 7.33333 | 11.7 Ų | 11.7 | 4% | 0.039 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.8 | -39.8 | 178.4 | -69.2 | -49.4 | 0 | 0 | 0 | 112.6 | H1962 V1965 R1966 V2013 V2014 L2015 V2019 I2020 V2021 | H1962-D2017 WeakPolarHBondContact CA-OD2 3.36Å; H1962-D2017 VanDerWaalsContact CB-OD2 3.31Å; H1962-D2017 WeakPolarHBondContact CB-OD2 3.31Å; H1962-D2017 IonicContact CD2-OD2 2.8Å; H1962-D2017 PolarHBondContact CD2-OD2 3.18Å; H1962-D2017 IonicContact CE1-OD2 3.46Å; H1962-D2017 IonicContact CG-OD2 3.33Å; H1962-D2017 IonicContact ND1-OD1 3.75Å; H1962-D2017 IonicContact ND1-OD2 3.7Å; H1962-D2017 PolarHBondContact ND1-OD2 3.05Å; H1962-D2017 VanDerWaalsContact O-OD2 3.06Å; V1965-D2017 HydrophobicContact CG1-CB 4.25Å; R1966-D2017 HydrophobicContact CB-CB 4.25Å; V2013-D2017 PolarHBondContact O-N 3.04Å; V2014-D2017 PolarHBondContact O-N 3.01Å; L2015-D2017 VanDerWaalsContact C-N 3.34Å; L2015-D2017 PolarHBondContact O-N 3.29Å; D2017-V2019 VanDerWaalsContact C-N 3.33Å; D2017-V2019 PolarHBondContact O-N 3.39Å; D2017-I2020 PolarHBondContact O-N 3.16Å; D2017-V2021 WeakPolarHBondContact O-CG2 3.24Å; D2017-V2021 PolarHBondContact O-N 3.04Å |
| 2018 | I | 90.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.7 | -59.4 | 163.2 | 0 | 0 | 0 | 110 | V1965 L1969 L1978 L1981 M1985 V2014 L2015 S2016 I2020 V2021 S2022 W2025 F2033 F2037 | V1965-I2018 HydrophobicContact CG1-CG1 4.46Å; L1969-I2018 HydrophobicContact CD1-CB 4.16Å; L1969-I2018 HydrophobicContact CD1-CG1 3.6Å; L1969-I2018 HydrophobicContact CD1-CG2 4.45Å; L1978-I2018 HydrophobicContact CD2-CG2 4.14Å; L1981-I2018 HydrophobicContact CB-CD1 4.45Å; L1981-I2018 HydrophobicContact CD1-CD1 4Å; L1981-I2018 HydrophobicContact CD1-CG1 4.06Å; M1985-I2018 HydrophobicContact CE-CD1 3.58Å; M1985-I2018 VanDerWaalsContact CE-CD1 3.43Å; V2014-I2018 HydrophobicContact CG1-CD1 3.74Å; V2014-I2018 HydrophobicContact CG1-CG1 4.3Å; V2014-I2018 VanDerWaalsContact O-CG1 3.27Å; V2014-I2018 WeakPolarHBondContact O-CG1 3.23Å; V2014-I2018 PolarHBondContact O-N 2.93Å; V2014-I2018 VanDerWaalsContact O-N 3.1Å; L2015-I2018 HydrophobicContact CD2-CD1 4.4Å; L2015-I2018 PolarHBondContact O-N 3.03Å; S2016-I2018 PolarHBondContact O-N 3.35Å; I2018-I2020 VanDerWaalsContact C-N 3.33Å; I2018-I2020 PolarHBondContact O-N 3.26Å; I2018-V2021 PolarHBondContact O-N 3.32Å; I2018-S2022 VanDerWaalsContact O-CB 3.23Å; I2018-S2022 WeakPolarHBondContact O-CB 3.28Å; I2018-S2022 PolarHBondContact O-N 3.36Å; I2018-W2025 HydrophobicContact CG2-CH2 3.71Å; I2018-W2025 HydrophobicContact CG2-CZ2 4.46Å; I2018-W2025 HydrophobicContact CG2-CZ3 4.43Å; I2018-F2033 HydrophobicContact CB-CE2 4.34Å; I2018-F2033 HydrophobicContact CB-CZ 4.36Å; I2018-F2033 HydrophobicContact CG2-CD2 4.13Å; I2018-F2033 HydrophobicContact CG2-CE2 3.26Å; I2018-F2033 HydrophobicContact CG2-CZ 3.59Å; I2018-F2037 HydrophobicContact CD1-CE1 4.17Å; I2018-F2037 HydrophobicContact CD1-CZ 4.15Å |
| 2019 | V | 88.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 177.4 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | L2015 S2016 D2017 V2021 S2022 F2033 W2034 I2138 V2142 I2145 L2148 | L2015-V2019 WeakPolarHBondContact O-CB 3.38Å; L2015-V2019 VanDerWaalsContact O-CG2 3.26Å; L2015-V2019 WeakPolarHBondContact O-CG2 3.31Å; L2015-V2019 PolarHBondContact O-N 3.03Å; S2016-V2019 PolarHBondContact O-N 3.22Å; D2017-V2019 VanDerWaalsContact C-N 3.33Å; D2017-V2019 PolarHBondContact O-N 3.39Å; V2019-V2021 PolarHBondContact O-N 3.26Å; V2019-S2022 PolarHBondContact O-N 2.81Å; V2019-S2022 PolarHBondContact O-OG 3.04Å; V2019-F2033 HydrophobicContact CG2-CE1 4.32Å; V2019-F2033 HydrophobicContact CG2-CZ 4.07Å; V2019-W2034 HydrophobicContact CG1-CH2 4.11Å; V2019-W2034 HydrophobicContact CG1-CZ2 4.34Å; V2019-W2034 HydrophobicContact CG2-CH2 3.9Å; V2019-I2138 HydrophobicContact CG2-CD1 4.12Å; V2019-I2138 HydrophobicContact CG2-CG2 4.45Å; V2019-V2142 HydrophobicContact CG1-CG2 3.63Å; V2019-V2142 HydrophobicContact CG2-CG2 4.42Å; V2019-I2145 HydrophobicContact CB-CD1 4.4Å; V2019-I2145 HydrophobicContact CG1-CD1 3.74Å; V2019-L2148 HydrophobicContact CG1-CD1 3.92Å; V2019-L2148 VanDerWaalsContact CG1-CD1 3.5Å |
| 2020 | I | 83.7 | Confident | 86.5 | Confident | 38.6667 Ų | 38.6667 | 16.2 Ų | 16.2 | 20% | 0.198 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60 | -50.5 | 178.1 | -66.7 | 164.7 | 0 | 0 | 0 | 111 | S2016 D2017 I2018 S2022 S2023 I2145 H2146 | S2016-I2020 WeakPolarHBondContact O-CD1 2.93Å; S2016-I2020 VanDerWaalsContact O-CG1 3.29Å; S2016-I2020 WeakPolarHBondContact O-CG1 3.36Å; S2016-I2020 PolarHBondContact O-N 2.98Å; S2016-I2020 VanDerWaalsContact O-N 3.09Å; D2017-I2020 PolarHBondContact O-N 3.16Å; I2018-I2020 VanDerWaalsContact C-N 3.33Å; I2018-I2020 PolarHBondContact O-N 3.26Å; I2020-S2022 VanDerWaalsContact C-N 3.32Å; I2020-S2022 PolarHBondContact O-N 2.94Å; I2020-S2023 WeakPolarHBondContact O-CB 3.39Å; I2020-S2023 PolarHBondContact O-N 3.22Å; I2020-S2023 PolarHBondContact O-OG 3.34Å; I2020-I2145 HydrophobicContact CD1-CD1 4.42Å; I2020-I2145 HydrophobicContact CG1-CD1 3.58Å; I2020-I2145 HydrophobicContact CG1-CG1 4.1Å; I2020-I2145 HydrophobicContact CG1-CG2 4.33Å; I2020-H2146 WeakPolarHBondContact CD1-CE1 3.35Å; I2020-H2146 HydrophobicContact CG1-CB 4.29Å; I2020-H2146 WeakPolarHBondContact CG1-ND1 3.43Å |
| 2021 | V | 85.5 | Confident | 86.6 | Confident | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.012 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.1 | -29.2 | -176.5 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | R1966 L1969 L1970 D2017 I2018 V2019 S2023 L2024 W2025 | R1966-V2021 HydrophobicContact CG-CG2 3.81Å; L1969-V2021 HydrophobicContact CB-CB 4.25Å; L1969-V2021 HydrophobicContact CB-CG1 3.86Å; L1969-V2021 HydrophobicContact CB-CG2 4.33Å; L1969-V2021 HydrophobicContact CD1-CB 4.46Å; L1970-V2021 HydrophobicContact CD2-CG1 3.83Å; L1970-V2021 HydrophobicContact CD2-CG2 4.21Å; L1970-V2021 HydrophobicContact CG-CG1 4.1Å; L1970-V2021 HydrophobicContact CG-CG2 4.04Å; D2017-V2021 WeakPolarHBondContact O-CG2 3.24Å; D2017-V2021 PolarHBondContact O-N 3.04Å; I2018-V2021 PolarHBondContact O-N 3.32Å; V2019-V2021 PolarHBondContact O-N 3.26Å; V2021-S2023 PolarHBondContact O-N 3.19Å; V2021-S2023 VanDerWaalsContact O-N 3.09Å; V2021-L2024 WeakPolarHBondContact O-CB 3.23Å; V2021-L2024 PolarHBondContact O-N 3.1Å; V2021-W2025 HydrophobicContact CG1-CZ2 4.38Å |
| 2022 | S | 88 | Confident | 86.6 | Confident | 0.666667 Ų | 0.666667 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.9 | -24.4 | 178.3 | 77.3 | 0 | 0 | 0 | 0 | 113.7 | I2018 V2019 I2020 L2024 W2025 K2030 F2033 | I2018-S2022 VanDerWaalsContact O-CB 3.23Å; I2018-S2022 WeakPolarHBondContact O-CB 3.28Å; I2018-S2022 PolarHBondContact O-N 3.36Å; V2019-S2022 PolarHBondContact O-N 2.81Å; V2019-S2022 PolarHBondContact O-OG 3.04Å; I2020-S2022 VanDerWaalsContact C-N 3.32Å; I2020-S2022 PolarHBondContact O-N 2.94Å; S2022-L2024 PolarHBondContact O-N 3.21Å; S2022-W2025 PolarHBondContact O-N 3.23Å; S2022-K2030 VanDerWaalsContact O-CE 3.3Å; S2022-K2030 WeakPolarHBondContact O-CE 3.35Å; S2022-K2030 WeakPolarHBondContact O-CG 3.32Å; S2022-F2033 WeakPolarHBondContact OG-CE1 3.32Å |
| 2023 | S | 82.7 | Confident | 86.8 | Confident | 30.6667 Ų | 30.6667 | 16.8 Ų | 16.8 | 21% | 0.214 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.3 | 174.3 | 67.8 | 0 | 0 | 0 | 0 | 113.3 | I2020 V2021 K2030 | I2020-S2023 WeakPolarHBondContact O-CB 3.39Å; I2020-S2023 PolarHBondContact O-N 3.22Å; I2020-S2023 PolarHBondContact O-OG 3.34Å; V2021-S2023 PolarHBondContact O-N 3.19Å; V2021-S2023 VanDerWaalsContact O-N 3.09Å; S2023-K2030 WeakPolarHBondContact O-CE 3.35Å; S2023-K2030 PolarHBondContact O-NZ 2.97Å |
| 2024 | L | 83.8 | Confident | 87.1 | Confident | 24.3333 Ų | 24.3333 | 16.8 Ų | 16.8 | 13% | 0.127 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -7.2 | -177.1 | -54.5 | -179.2 | 0 | 0 | 0 | 113.5 | P1761 Y1847 L1853 L1970 V2021 S2022 | P1761-L2024 HydrophobicContact CG-CD2 4.13Å; Y1847-L2024 HydrophobicContact CD1-CD2 4.34Å; Y1847-L2024 HydrophobicContact CD2-CD2 3.82Å; Y1847-L2024 HydrophobicContact CE2-CD2 4.24Å; Y1847-L2024 HydrophobicContact CG-CD2 3.96Å; L1853-L2024 HydrophobicContact CD1-CB 4.47Å; L1970-L2024 HydrophobicContact CD2-CD1 3.67Å; V2021-L2024 WeakPolarHBondContact O-CB 3.23Å; V2021-L2024 PolarHBondContact O-N 3.1Å; S2022-L2024 PolarHBondContact O-N 3.21Å |
| 2025 | W | 87.7 | Confident | 87 | Confident | 3 Ų | 3 | 17.1 Ų | 17.1 | 1% | 0.011 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -76.9 | 161.2 | -178.9 | -64 | -16.1 | 0 | 0 | 0 | 112.4 | L1969 P1974 L1978 I2018 V2021 S2022 W2029 K2030 F2033 | L1969-W2025 HydrophobicContact CD2-CZ2 4.09Å; P1974-W2025 HydrophobicContact CB-CD2 3.84Å; P1974-W2025 HydrophobicContact CB-CE3 3.95Å; P1974-W2025 HydrophobicContact CB-CG 4.47Å; P1974-W2025 HydrophobicContact CB-CH2 4.02Å; P1974-W2025 HydrophobicContact CB-CZ2 3.93Å; P1974-W2025 HydrophobicContact CB-CZ3 4.03Å; P1974-W2025 HydrophobicContact CG-CD2 3.91Å; P1974-W2025 HydrophobicContact CG-CE3 4.34Å; P1974-W2025 HydrophobicContact CG-CG 4.09Å; L1978-W2025 HydrophobicContact CD1-CH2 4.26Å; L1978-W2025 HydrophobicContact CD1-CZ3 4.07Å; L1978-W2025 HydrophobicContact CD2-CH2 3.8Å; L1978-W2025 HydrophobicContact CD2-CZ3 4.28Å; L1978-W2025 HydrophobicContact CG-CH2 4.22Å; L1978-W2025 HydrophobicContact CG-CZ3 4.46Å; I2018-W2025 HydrophobicContact CG2-CH2 3.71Å; I2018-W2025 HydrophobicContact CG2-CZ2 4.46Å; I2018-W2025 HydrophobicContact CG2-CZ3 4.43Å; V2021-W2025 HydrophobicContact CG1-CZ2 4.38Å; S2022-W2025 PolarHBondContact O-N 3.23Å; W2025-W2029 HydrophobicContact CB-CB 3.95Å; W2025-W2029 HydrophobicContact CE3-CB 4.28Å; W2025-W2029 HydrophobicContact CG-CB 4.48Å; W2025-K2030 HydrophobicContact CB-CG 4.45Å; W2025-K2030 WeakPolarHBondContact O-CE 3.36Å; W2025-F2033 HydrophobicContact CE3-CB 4.4Å; W2025-F2033 HydrophobicContact CH2-CD2 4.4Å; W2025-F2033 HydrophobicContact CZ3-CB 3.99Å; W2025-F2033 HydrophobicContact CZ3-CD1 4.44Å; W2025-F2033 AromaticContact CZ3-CD2 3.86Å; W2025-F2033 HydrophobicContact CZ3-CD2 3.86Å; W2025-F2033 HydrophobicContact CZ3-CE2 4.43Å; W2025-F2033 AromaticContact CZ3-CG 3.85Å; W2025-F2033 HydrophobicContact CZ3-CG 3.85Å |
| 2026 | S | 86.4 | Confident | 86.7 | Confident | 25.6667 Ų | 25.6667 | 18 Ų | 18 | 18% | 0.179 | 9% | 0.094 | C | C | . | . | trans | -63.6 | 158.6 | 172.6 | 72.4 | 0 | 0 | 0 | 0 | 111.3 | Q2028 W2029 K2030 | S2026-Q2028 VanDerWaalsContact C-N 3.27Å; S2026-Q2028 PolarHBondContact O-N 3.31Å; S2026-W2029 PolarHBondContact O-N 3.3Å; S2026-W2029 VanDerWaalsContact O-N 3.11Å; S2026-K2030 PolarHBondContact O-N 3.28Å | ||
| 2027 | R | 88 | Confident | 86.9 | Confident | 18 Ų | 18 | 17.2 Ų | 17.2 | 7% | 0.068 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -48.2 | -47.3 | 178.8 | -177.7 | -165.5 | 63.9 | 83.4 | -5.6 | 113 | L1818 D1821 Y1824 W2029 K2030 Y2031 H2193 | L1818-R2027 HydrophobicContact CB-CG 4.24Å; L1818-R2027 HydrophobicContact CD2-CB 4.49Å; L1818-R2027 HydrophobicContact CD2-CG 3.75Å; L1818-R2027 PolarHBondContact O-NH1 3.08Å; D1821-R2027 IonicContact OD1-CZ 3.28Å; D1821-R2027 IonicContact OD1-NE 3.62Å; D1821-R2027 PolarHBondContact OD1-NE 3.17Å; D1821-R2027 IonicContact OD1-NH2 3.19Å; D1821-R2027 PolarHBondContact OD1-NH2 3.16Å; D1821-R2027 IonicContact OD2-NH2 2.9Å; Y1824-R2027 HydrophobicContact CD1-CB 4.22Å; Y1824-R2027 HydrophobicContact CD1-CG 4.47Å; Y1824-R2027 HydrophobicContact CD2-CB 4.02Å; Y1824-R2027 HydrophobicContact CD2-CG 3.69Å; Y1824-R2027 HydrophobicContact CE1-CB 4.29Å; Y1824-R2027 HydrophobicContact CE2-CB 4.1Å; Y1824-R2027 HydrophobicContact CE2-CG 4.17Å; Y1824-R2027 HydrophobicContact CG-CB 4.08Å; Y1824-R2027 HydrophobicContact CG-CG 3.88Å; R2027-W2029 VanDerWaalsContact C-N 3.32Å; R2027-W2029 PolarHBondContact O-N 3.19Å; R2027-K2030 WeakPolarHBondContact O-CB 3.43Å; R2027-K2030 PolarHBondContact O-N 2.95Å; R2027-Y2031 PolarHBondContact O-N 3.25Å; R2027-H2193 PolarHBondContact NH1-CE1 2.8Å; R2027-H2193 VanDerWaalsContact NH1-CE1 3.35Å |
| 2028 | Q | 85.4 | Confident | 87.2 | Confident | 79.6667 Ų | 79.6667 | 16.9 Ų | 16.9 | 37% | 0.372 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -60.5 | -42.4 | -176.6 | -64.7 | 174 | -9 | 0 | 0 | 111.4 | S2026 Y2031 Y2032 I2195 | S2026-Q2028 VanDerWaalsContact C-N 3.27Å; S2026-Q2028 PolarHBondContact O-N 3.31Å; Q2028-Y2031 WeakPolarHBondContact O-CB 3.5Å; Q2028-Y2031 PolarHBondContact O-N 3.34Å; Q2028-Y2032 PolarHBondContact O-N 3.11Å; Q2028-I2195 HydrophobicContact CB-CD1 4Å; Q2028-I2195 HydrophobicContact CB-CG1 4.42Å; Q2028-I2195 WeakPolarHBondContact O-CD1 3.41Å |
| 2029 | W | 87.9 | Confident | 87.2 | Confident | 37.3333 Ų | 37.3333 | 16.9 Ų | 16.9 | 14% | 0.141 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -71.8 | -36 | 177.1 | -76.8 | 113.9 | 0 | 0 | 0 | 112.8 | P1974 K1975 L1978 W2025 S2026 R2027 Y2031 Y2032 F2033 I2195 I2198 | P1974-W2029 HydrophobicContact CB-CB 4.42Å; P1974-W2029 HydrophobicContact CB-CD2 3.79Å; P1974-W2029 HydrophobicContact CB-CE3 3.69Å; P1974-W2029 HydrophobicContact CB-CG 4.1Å; P1974-W2029 HydrophobicContact CB-CZ3 4.3Å; P1974-W2029 HydrophobicContact CG-CB 3.82Å; P1974-W2029 HydrophobicContact CG-CD2 3.33Å; P1974-W2029 HydrophobicContact CG-CE3 3.82Å; P1974-W2029 HydrophobicContact CG-CG 3.29Å; P1974-W2029 HydrophobicContact CG-CZ3 4.47Å; K1975-W2029 HydrophobicContact CB-CH2 3.78Å; K1975-W2029 HydrophobicContact CB-CZ2 3.52Å; K1975-W2029 VanDerWaalsContact CB-CZ2 3.5Å; K1975-W2029 HydrophobicContact CD-CZ2 4.48Å; K1975-W2029 HydrophobicContact CG-CH2 3.87Å; K1975-W2029 HydrophobicContact CG-CZ2 3.79Å; L1978-W2029 HydrophobicContact CD1-CE3 4.17Å; L1978-W2029 HydrophobicContact CD1-CZ3 4.27Å; W2025-W2029 HydrophobicContact CB-CB 3.95Å; W2025-W2029 HydrophobicContact CE3-CB 4.28Å; W2025-W2029 HydrophobicContact CG-CB 4.48Å; S2026-W2029 PolarHBondContact O-N 3.3Å; S2026-W2029 VanDerWaalsContact O-N 3.11Å; R2027-W2029 VanDerWaalsContact C-N 3.32Å; R2027-W2029 PolarHBondContact O-N 3.19Å; W2029-Y2031 VanDerWaalsContact C-N 3.31Å; W2029-Y2031 PolarHBondContact O-N 3.08Å; W2029-Y2032 AromaticContact CE3-CD1 3.93Å; W2029-Y2032 HydrophobicContact CE3-CD1 4Å; W2029-Y2032 HydrophobicContact CE3-CG 4.47Å; W2029-Y2032 AromaticContact CZ3-CD1 3.87Å; W2029-Y2032 HydrophobicContact CZ3-CD1 3.87Å; W2029-Y2032 HydrophobicContact CZ3-CE1 4.25Å; W2029-Y2032 HydrophobicContact CZ3-CG 4.4Å; W2029-Y2032 PolarHBondContact O-N 2.93Å; W2029-F2033 WeakPolarHBondContact O-CB 3.29Å; W2029-F2033 PolarHBondContact O-N 3.34Å; W2029-I2195 HydrophobicContact CD2-CD1 4.17Å; W2029-I2195 HydrophobicContact CE3-CD1 4.23Å; W2029-I2195 HydrophobicContact CG-CD1 4.31Å; W2029-I2195 HydrophobicContact CH2-CD1 4.48Å; W2029-I2195 HydrophobicContact CH2-CG2 4.09Å; W2029-I2195 HydrophobicContact CZ2-CD1 4.39Å; W2029-I2195 HydrophobicContact CZ2-CG2 4.44Å; W2029-I2195 HydrophobicContact CZ3-CD1 4.41Å; W2029-I2195 HydrophobicContact CZ3-CG2 4.34Å; W2029-I2198 HydrophobicContact CZ3-CD1 4.37Å |
| 2030 | K | 89.6 | Confident | 87.2 | Confident | 17 Ų | 17 | 17 Ų | 17 | 7% | 0.074 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 170.4 | -71.7 | 176.6 | 174.7 | 173.1 | 0 | 111.4 | L1818 Y1824 S2022 S2023 W2025 S2026 R2027 F2033 W2034 | L1818-K2030 HydrophobicContact CD1-CB 3.92Å; L1818-K2030 HydrophobicContact CD2-CB 3.97Å; L1818-K2030 HydrophobicContact CD2-CD 4.32Å; Y1824-K2030 PolarHBondContact OH-NZ 3.17Å; S2022-K2030 VanDerWaalsContact O-CE 3.3Å; S2022-K2030 WeakPolarHBondContact O-CE 3.35Å; S2022-K2030 WeakPolarHBondContact O-CG 3.32Å; S2023-K2030 WeakPolarHBondContact O-CE 3.35Å; S2023-K2030 PolarHBondContact O-NZ 2.97Å; W2025-K2030 HydrophobicContact CB-CG 4.45Å; W2025-K2030 WeakPolarHBondContact O-CE 3.36Å; S2026-K2030 PolarHBondContact O-N 3.28Å; R2027-K2030 WeakPolarHBondContact O-CB 3.43Å; R2027-K2030 PolarHBondContact O-N 2.95Å; K2030-F2033 PolarHBondContact O-N 3.17Å; K2030-W2034 VanDerWaalsContact O-CD1 3.25Å; K2030-W2034 PolarHBondContact O-N 3.2Å |
| 2031 | Y | 87.7 | Confident | 87.5 | Confident | 30.3333 Ų | 30.3333 | 15.3 Ų | 15.3 | 12% | 0.119 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.4 | -49.1 | 178.2 | -173.4 | -92.6 | 0 | 0 | 0 | 111.6 | L1818 R2027 Q2028 W2029 F2033 G2035 H2154 P2155 I2189 N2190 H2193 | L1818-Y2031 HydrophobicContact CB-CD2 3.83Å; L1818-Y2031 HydrophobicContact CB-CG 4.39Å; R2027-Y2031 PolarHBondContact O-N 3.25Å; Q2028-Y2031 WeakPolarHBondContact O-CB 3.5Å; Q2028-Y2031 PolarHBondContact O-N 3.34Å; W2029-Y2031 VanDerWaalsContact C-N 3.31Å; W2029-Y2031 PolarHBondContact O-N 3.08Å; Y2031-F2033 VanDerWaalsContact C-N 3.33Å; Y2031-F2033 PolarHBondContact O-N 3.13Å; Y2031-G2035 WeakPolarHBondContact O-CA 3.26Å; Y2031-G2035 PolarHBondContact O-N 3.05Å; Y2031-H2154 AromaticContact CE2-CE1 3.97Å; Y2031-P2155 HydrophobicContact CD2-CB 4.35Å; Y2031-P2155 HydrophobicContact CD2-CG 3.69Å; Y2031-P2155 HydrophobicContact CE2-CB 4.28Å; Y2031-P2155 HydrophobicContact CE2-CG 3.93Å; Y2031-P2155 HydrophobicContact CG-CG 4.49Å; Y2031-I2189 HydrophobicContact CD1-CG2 4.12Å; Y2031-I2189 HydrophobicContact CE1-CG2 3.15Å; Y2031-I2189 WeakPolarHBondContact OH-CG2 3.49Å; Y2031-N2190 HydrophobicContact CE1-CB 4.48Å; Y2031-N2190 WeakPolarHBondContact OH-CB 3.27Å; Y2031-H2193 AromaticContact CD1-CD2 3.32Å; Y2031-H2193 WeakPolarHBondContact CD1-CD2 3.27Å; Y2031-H2193 AromaticContact CD1-NE2 3.77Å; Y2031-H2193 AromaticContact CD2-NE2 3.84Å; Y2031-H2193 AromaticContact CE1-CD2 3.38Å; Y2031-H2193 VanDerWaalsContact CE1-CD2 3.49Å; Y2031-H2193 WeakPolarHBondContact CE1-CD2 3.28Å; Y2031-H2193 AromaticContact CE1-NE2 3.68Å; Y2031-H2193 WeakPolarHBondContact CE1-NE2 3.07Å; Y2031-H2193 AromaticContact CE2-NE2 3.8Å; Y2031-H2193 AromaticContact CG-CD2 3.79Å; Y2031-H2193 AromaticContact CG-NE2 3.83Å; Y2031-H2193 AromaticContact CZ-CD2 3.99Å; Y2031-H2193 AromaticContact CZ-NE2 3.71Å |
| 2032 | Y | 86.9 | Confident | 87.8 | Confident | 14.6667 Ų | 14.6667 | 15.3 Ų | 15.3 | 6% | 0.058 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 176 | 176.3 | -98.3 | 0 | 0 | 0 | 112.3 | L1978 Q2028 W2029 C2036 F2037 R2040 I2195 I2198 | L1978-Y2032 HydrophobicContact CD1-CD1 4.05Å; L1978-Y2032 HydrophobicContact CD1-CE1 4.05Å; Q2028-Y2032 PolarHBondContact O-N 3.11Å; W2029-Y2032 AromaticContact CE3-CD1 3.93Å; W2029-Y2032 HydrophobicContact CE3-CD1 4Å; W2029-Y2032 HydrophobicContact CE3-CG 4.47Å; W2029-Y2032 AromaticContact CZ3-CD1 3.87Å; W2029-Y2032 HydrophobicContact CZ3-CD1 3.87Å; W2029-Y2032 HydrophobicContact CZ3-CE1 4.25Å; W2029-Y2032 HydrophobicContact CZ3-CG 4.4Å; W2029-Y2032 PolarHBondContact O-N 2.93Å; Y2032-C2036 HydrophobicContact CD2-CB 3.98Å; Y2032-C2036 HydrophobicContact CE2-CB 3.88Å; Y2032-C2036 WeakPolarHBondContact O-CA 3.37Å; Y2032-C2036 VanDerWaalsContact O-CB 3.3Å; Y2032-C2036 WeakPolarHBondContact O-CB 3.3Å; Y2032-C2036 PolarHBondContact O-N 3.14Å; Y2032-F2037 HydrophobicContact CE1-CB 4.33Å; Y2032-F2037 PolarHBondContact O-N 3.12Å; Y2032-F2037 VanDerWaalsContact O-N 3.12Å; Y2032-R2040 PolarHBondContact OH-NH2 3.17Å; Y2032-I2195 HydrophobicContact CD2-CG2 4.28Å; Y2032-I2195 HydrophobicContact CE2-CG2 4.47Å; Y2032-I2195 HydrophobicContact CG-CD1 4.47Å; Y2032-I2198 HydrophobicContact CE1-CD1 4.02Å; Y2032-I2198 HydrophobicContact CE1-CG1 4.4Å; Y2032-I2198 WeakPolarHBondContact OH-CB 3.4Å; Y2032-I2198 WeakPolarHBondContact OH-CD1 3.46Å; Y2032-I2198 WeakPolarHBondContact OH-CG1 3.49Å |
| 2033 | F | 90.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -62.2 | -52.5 | -179 | 177.2 | -113.3 | 0 | 0 | 0 | 112.1 | L1978 I2018 V2019 S2022 W2025 W2029 K2030 Y2031 F2037 I2038 | L1978-F2033 HydrophobicContact CD2-CD2 4.32Å; L1978-F2033 HydrophobicContact CD2-CE2 4.45Å; I2018-F2033 HydrophobicContact CB-CE2 4.34Å; I2018-F2033 HydrophobicContact CB-CZ 4.36Å; I2018-F2033 HydrophobicContact CG2-CD2 4.13Å; I2018-F2033 HydrophobicContact CG2-CE2 3.26Å; I2018-F2033 HydrophobicContact CG2-CZ 3.59Å; V2019-F2033 HydrophobicContact CG2-CE1 4.32Å; V2019-F2033 HydrophobicContact CG2-CZ 4.07Å; S2022-F2033 WeakPolarHBondContact OG-CE1 3.32Å; W2025-F2033 HydrophobicContact CE3-CB 4.4Å; W2025-F2033 HydrophobicContact CH2-CD2 4.4Å; W2025-F2033 HydrophobicContact CZ3-CB 3.99Å; W2025-F2033 HydrophobicContact CZ3-CD1 4.44Å; W2025-F2033 AromaticContact CZ3-CD2 3.86Å; W2025-F2033 HydrophobicContact CZ3-CD2 3.86Å; W2025-F2033 HydrophobicContact CZ3-CE2 4.43Å; W2025-F2033 AromaticContact CZ3-CG 3.85Å; W2025-F2033 HydrophobicContact CZ3-CG 3.85Å; W2029-F2033 WeakPolarHBondContact O-CB 3.29Å; W2029-F2033 PolarHBondContact O-N 3.34Å; K2030-F2033 PolarHBondContact O-N 3.17Å; Y2031-F2033 VanDerWaalsContact C-N 3.33Å; Y2031-F2033 PolarHBondContact O-N 3.13Å; F2033-F2037 HydrophobicContact CD2-CB 4.1Å; F2033-F2037 AromaticContact CD2-CD1 3.54Å; F2033-F2037 HydrophobicContact CD2-CD1 3.54Å; F2033-F2037 HydrophobicContact CD2-CE1 4.28Å; F2033-F2037 HydrophobicContact CD2-CG 4.07Å; F2033-F2037 AromaticContact CE2-CD1 3.41Å; F2033-F2037 HydrophobicContact CE2-CD1 3.41Å; F2033-F2037 VanDerWaalsContact CE2-CD1 3.44Å; F2033-F2037 AromaticContact CE2-CE1 3.79Å; F2033-F2037 HydrophobicContact CE2-CE1 3.79Å; F2033-F2037 HydrophobicContact CE2-CG 4.37Å; F2033-F2037 WeakPolarHBondContact O-CB 3.29Å; F2033-F2037 PolarHBondContact O-N 3.15Å; F2033-I2038 HydrophobicContact CD1-CG1 4.27Å; F2033-I2038 HydrophobicContact CD2-CG1 4.14Å; F2033-I2038 HydrophobicContact CE1-CD1 4.21Å; F2033-I2038 HydrophobicContact CE1-CG1 3.84Å; F2033-I2038 HydrophobicContact CE2-CD1 3.73Å; F2033-I2038 HydrophobicContact CE2-CG1 3.67Å; F2033-I2038 HydrophobicContact CG-CG1 4.43Å; F2033-I2038 HydrophobicContact CZ-CD1 3.49Å; F2033-I2038 VanDerWaalsContact CZ-CD1 3.48Å; F2033-I2038 HydrophobicContact CZ-CG1 3.53Å; F2033-I2038 PolarHBondContact O-N 3.37Å |
| 2034 | W | 89.4 | Confident | 88 | Confident | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.015 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -76.7 | -28.9 | -178.5 | -68.6 | 118.1 | 0 | 0 | 0 | 113.7 | V2019 K2030 I2038 P2039 I2138 V2142 L2148 L2153 P2155 L2156 | V2019-W2034 HydrophobicContact CG1-CH2 4.11Å; V2019-W2034 HydrophobicContact CG1-CZ2 4.34Å; V2019-W2034 HydrophobicContact CG2-CH2 3.9Å; K2030-W2034 VanDerWaalsContact O-CD1 3.25Å; K2030-W2034 PolarHBondContact O-N 3.2Å; W2034-I2038 HydrophobicContact CE3-CB 4.34Å; W2034-I2038 HydrophobicContact CE3-CG1 3.99Å; W2034-I2038 HydrophobicContact CE3-CG2 4.38Å; W2034-I2038 HydrophobicContact CZ3-CB 4.44Å; W2034-I2038 HydrophobicContact CZ3-CG1 3.98Å; W2034-I2038 HydrophobicContact CZ3-CG2 4.34Å; W2034-P2039 VanDerWaalsContact O-CD 3.3Å; W2034-P2039 WeakPolarHBondContact O-CD 3.37Å; W2034-P2039 WeakPolarHBondContact O-CG 3.42Å; W2034-I2138 HydrophobicContact CH2-CG2 4.39Å; W2034-I2138 HydrophobicContact CZ3-CG2 4.12Å; W2034-V2142 HydrophobicContact CH2-CG2 3.34Å; W2034-V2142 HydrophobicContact CZ2-CG2 4.07Å; W2034-V2142 HydrophobicContact CZ3-CG2 4.1Å; W2034-L2148 HydrophobicContact CZ2-CD2 4.11Å; W2034-L2153 HydrophobicContact CD2-CD2 3.63Å; W2034-L2153 VanDerWaalsContact CE2-CD2 3.45Å; W2034-L2153 HydrophobicContact CE3-CD2 3.73Å; W2034-L2153 HydrophobicContact CG-CD2 4.37Å; W2034-L2153 HydrophobicContact CH2-CD2 3.71Å; W2034-L2153 HydrophobicContact CZ2-CD2 3.57Å; W2034-L2153 HydrophobicContact CZ3-CD2 3.77Å; W2034-P2155 HydrophobicContact CB-CB 4.27Å; W2034-P2155 HydrophobicContact CB-CG 4.33Å; W2034-L2156 HydrophobicContact CB-CB 4.5Å; W2034-L2156 HydrophobicContact CE3-CD2 4.09Å; W2034-L2156 HydrophobicContact CZ3-CD2 4.28Å; W2034-L2156 WeakPolarHBondContact O-CA 3.22Å; W2034-L2156 PolarHBondContact O-N 3.26Å |
| 2035 | G | 85.1 | Confident | 88.2 | Confident | 8 Ų | 8 | 14.5 Ų | 14.5 | 8% | 0.082 | 7% | 0.069 | C | C | . | . | I | π-helix | trans | -91.1 | -25.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y2031 P2039 I2189 | Y2031-G2035 WeakPolarHBondContact O-CA 3.26Å; Y2031-G2035 PolarHBondContact O-N 3.05Å; G2035-P2039 WeakPolarHBondContact O-CG 3.38Å; G2035-I2189 WeakPolarHBondContact O-CD1 3.49Å |
| 2036 | C | 84.5 | Confident | 88 | Confident | 18.6667 Ų | 18.6667 | 14.5 Ų | 14.5 | 13% | 0.126 | 7% | 0.069 | C | C | . | . | I | π-helix | trans | -127.9 | -51.6 | -174.2 | -61.6 | 0 | 0 | 0 | 0 | 113.1 | Y2032 R2040 I2189 | Y2032-C2036 HydrophobicContact CD2-CB 3.98Å; Y2032-C2036 HydrophobicContact CE2-CB 3.88Å; Y2032-C2036 WeakPolarHBondContact O-CA 3.37Å; Y2032-C2036 VanDerWaalsContact O-CB 3.3Å; Y2032-C2036 WeakPolarHBondContact O-CB 3.3Å; Y2032-C2036 PolarHBondContact O-N 3.14Å; C2036-R2040 WeakPolarHBondContact O-CB 3.4Å; C2036-R2040 VanDerWaalsContact O-CG 3.28Å; C2036-R2040 WeakPolarHBondContact O-CG 3.35Å; C2036-R2040 PolarHBondContact O-N 3.07Å; C2036-R2040 VanDerWaalsContact O-N 3.13Å; C2036-R2040 PolarHBondContact O-NE 2.89Å; C2036-R2040 VanDerWaalsContact O-NE 3.13Å; C2036-I2189 VanDerWaalsContact SG-CG2 3.6Å |
| 2037 | F | 89.3 | Confident | 87.9 | Confident | 0.333333 Ų | 0.333333 | 13.6 Ų | 13.6 | 0% | 0.001 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -67.7 | -56.8 | -173.9 | 178.7 | -89.9 | 0 | 0 | 0 | 112.1 | L1978 E1982 M1985 L2015 I2018 Y2032 F2033 R2040 I2041 | L1978-F2037 HydrophobicContact CB-CD2 4.19Å; L1978-F2037 HydrophobicContact CB-CE2 4.19Å; L1978-F2037 HydrophobicContact CD2-CD1 4.34Å; L1978-F2037 HydrophobicContact CD2-CD2 4.02Å; L1978-F2037 HydrophobicContact CD2-CE1 4.21Å; L1978-F2037 HydrophobicContact CD2-CE2 3.86Å; L1978-F2037 HydrophobicContact CD2-CG 4.24Å; L1978-F2037 HydrophobicContact CD2-CZ 3.95Å; L1978-F2037 HydrophobicContact CG-CD2 4.48Å; L1978-F2037 HydrophobicContact CG-CE2 4.44Å; L1978-F2037 WeakPolarHBondContact O-CE2 3.36Å; E1982-F2037 HydrophobicContact CB-CE2 3.97Å; E1982-F2037 HydrophobicContact CG-CE2 4.46Å; M1985-F2037 HydrophobicContact CE-CE1 3.96Å; M1985-F2037 HydrophobicContact CE-CE2 4.37Å; M1985-F2037 HydrophobicContact CE-CZ 3.92Å; M1985-F2037 VanDerWaalsContact CE-CZ 3.4Å; M1985-F2037 HydrophobicContact SD-CZ 4.33Å; L2015-F2037 HydrophobicContact CD2-CE1 4.4Å; I2018-F2037 HydrophobicContact CD1-CE1 4.17Å; I2018-F2037 HydrophobicContact CD1-CZ 4.15Å; Y2032-F2037 HydrophobicContact CE1-CB 4.33Å; Y2032-F2037 PolarHBondContact O-N 3.12Å; Y2032-F2037 VanDerWaalsContact O-N 3.12Å; F2033-F2037 HydrophobicContact CD2-CB 4.1Å; F2033-F2037 AromaticContact CD2-CD1 3.54Å; F2033-F2037 HydrophobicContact CD2-CD1 3.54Å; F2033-F2037 HydrophobicContact CD2-CE1 4.28Å; F2033-F2037 HydrophobicContact CD2-CG 4.07Å; F2033-F2037 AromaticContact CE2-CD1 3.41Å; F2033-F2037 HydrophobicContact CE2-CD1 3.41Å; F2033-F2037 VanDerWaalsContact CE2-CD1 3.44Å; F2033-F2037 AromaticContact CE2-CE1 3.79Å; F2033-F2037 HydrophobicContact CE2-CE1 3.79Å; F2033-F2037 HydrophobicContact CE2-CG 4.37Å; F2033-F2037 WeakPolarHBondContact O-CB 3.29Å; F2033-F2037 PolarHBondContact O-N 3.15Å; F2037-R2040 PolarHBondContact O-N 3.07Å; F2037-R2040 VanDerWaalsContact O-N 3.15Å; F2037-I2041 HydrophobicContact CD1-CG1 4.35Å; F2037-I2041 HydrophobicContact CE1-CG1 3.98Å; F2037-I2041 HydrophobicContact CE2-CG1 4.41Å; F2037-I2041 HydrophobicContact CZ-CD1 4.4Å; F2037-I2041 HydrophobicContact CZ-CG1 4.07Å; F2037-I2041 WeakPolarHBondContact O-CG1 3.13Å; F2037-I2041 PolarHBondContact O-N 3.22Å; F2037-I2041 VanDerWaalsContact O-N 3.11Å |
| 2038 | I | 91.4 | Very high | 87.5 | Confident | 0.333333 Ų | 0.333333 | 12.7 Ų | 12.7 | 0% | 0.002 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59 | -49.3 | -179.6 | -71.2 | -69.2 | 0 | 0 | 0 | 111.3 | L2015 F2033 W2034 R2040 I2041 L2042 I2138 L2156 | L2015-I2038 HydrophobicContact CD2-CD1 3.76Å; F2033-I2038 HydrophobicContact CD1-CG1 4.27Å; F2033-I2038 HydrophobicContact CD2-CG1 4.14Å; F2033-I2038 HydrophobicContact CE1-CD1 4.21Å; F2033-I2038 HydrophobicContact CE1-CG1 3.84Å; F2033-I2038 HydrophobicContact CE2-CD1 3.73Å; F2033-I2038 HydrophobicContact CE2-CG1 3.67Å; F2033-I2038 HydrophobicContact CG-CG1 4.43Å; F2033-I2038 HydrophobicContact CZ-CD1 3.49Å; F2033-I2038 VanDerWaalsContact CZ-CD1 3.48Å; F2033-I2038 HydrophobicContact CZ-CG1 3.53Å; F2033-I2038 PolarHBondContact O-N 3.37Å; W2034-I2038 HydrophobicContact CE3-CB 4.34Å; W2034-I2038 HydrophobicContact CE3-CG1 3.99Å; W2034-I2038 HydrophobicContact CE3-CG2 4.38Å; W2034-I2038 HydrophobicContact CZ3-CB 4.44Å; W2034-I2038 HydrophobicContact CZ3-CG1 3.98Å; W2034-I2038 HydrophobicContact CZ3-CG2 4.34Å; I2038-R2040 VanDerWaalsContact C-N 3.31Å; I2038-R2040 PolarHBondContact O-N 3.03Å; I2038-I2041 PolarHBondContact O-N 3.41Å; I2038-I2041 VanDerWaalsContact O-N 3.14Å; I2038-L2042 HydrophobicContact CG2-CD1 3.9Å; I2038-L2042 HydrophobicContact CG2-CG 4.19Å; I2038-L2042 WeakPolarHBondContact O-CB 3.39Å; I2038-L2042 WeakPolarHBondContact O-CG 3.33Å; I2038-L2042 PolarHBondContact O-N 3.21Å; I2038-I2138 HydrophobicContact CD1-CD1 4.17Å; I2038-I2138 HydrophobicContact CG2-CD1 4.02Å; I2038-I2138 HydrophobicContact CG2-CG2 4.35Å; I2038-L2156 HydrophobicContact CG2-CD1 4.02Å; I2038-L2156 HydrophobicContact CG2-CD2 4.37Å |
| 2039 | P | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -51.4 | -45.1 | 173.7 | -34.8 | 41 | 0 | 0 | 0 | 114.2 | W2034 G2035 I2041 L2042 C2043 L2156 W2159 P2203 | W2034-P2039 VanDerWaalsContact O-CD 3.3Å; W2034-P2039 WeakPolarHBondContact O-CD 3.37Å; W2034-P2039 WeakPolarHBondContact O-CG 3.42Å; G2035-P2039 WeakPolarHBondContact O-CG 3.38Å; P2039-I2041 PolarHBondContact O-N 3.16Å; P2039-L2042 WeakPolarHBondContact O-CB 3.47Å; P2039-L2042 PolarHBondContact O-N 3.17Å; P2039-C2043 PolarHBondContact O-N 3.05Å; P2039-C2043 PolarHBondContact O-SG 3.19Å; P2039-L2156 HydrophobicContact CG-CD1 3.95Å; P2039-W2159 HydrophobicContact CB-CD2 3.72Å; P2039-W2159 HydrophobicContact CB-CE3 3.94Å; P2039-W2159 HydrophobicContact CB-CG 4.23Å; P2039-W2159 HydrophobicContact CB-CH2 4.1Å; P2039-W2159 HydrophobicContact CB-CZ2 3.95Å; P2039-W2159 HydrophobicContact CB-CZ3 4.1Å; P2039-W2159 HydrophobicContact CG-CB 4.49Å; P2039-W2159 HydrophobicContact CG-CD2 3.9Å; P2039-W2159 HydrophobicContact CG-CE3 3.9Å; P2039-W2159 HydrophobicContact CG-CG 4.19Å; P2039-W2159 HydrophobicContact CG-CZ3 4.36Å; P2039-P2203 HydrophobicContact CB-CB 3.64Å; P2039-P2203 HydrophobicContact CB-CG 3.77Å |
| 2040 | R | 88.6 | Confident | 86.6 | Confident | 4 Ų | 4 | 8.6 Ų | 8.6 | 2% | 0.015 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 179 | -75.6 | -176 | -63.2 | 155.7 | 9.1 | 112.2 | E1982 Y2032 C2036 F2037 I2038 L2042 C2043 W2044 E2199 S2201 P2203 I2206 | E1982-R2040 IonicContact OE1-CZ 3.02Å; E1982-R2040 VanDerWaalsContact OE1-CZ 3.26Å; E1982-R2040 IonicContact OE1-NE 3.02Å; E1982-R2040 IonicContact OE1-NH1 3.24Å; E1982-R2040 PolarHBondContact OE1-NH1 3.11Å; E1982-R2040 VanDerWaalsContact OE1-NH1 3.12Å; E1982-R2040 IonicContact OE1-NH2 3.25Å; E1982-R2040 IonicContact OE2-CZ 3.45Å; E1982-R2040 IonicContact OE2-NE 2.81Å; E1982-R2040 IonicContact OE2-NH1 2.89Å; E1982-R2040 PolarHBondContact OE2-NH1 2.77Å; E1982-R2040 VanDerWaalsContact OE2-NH1 3.12Å; E1982-R2040 IonicContact OE2-NH2 3.75Å; E1982-R2040 PolarHBondContact OE2-NH2 3.33Å; Y2032-R2040 PolarHBondContact OH-NH2 3.17Å; C2036-R2040 WeakPolarHBondContact O-CB 3.4Å; C2036-R2040 VanDerWaalsContact O-CG 3.28Å; C2036-R2040 WeakPolarHBondContact O-CG 3.35Å; C2036-R2040 PolarHBondContact O-N 3.07Å; C2036-R2040 VanDerWaalsContact O-N 3.13Å; C2036-R2040 PolarHBondContact O-NE 2.89Å; C2036-R2040 VanDerWaalsContact O-NE 3.13Å; F2037-R2040 PolarHBondContact O-N 3.07Å; F2037-R2040 VanDerWaalsContact O-N 3.15Å; I2038-R2040 VanDerWaalsContact C-N 3.31Å; I2038-R2040 PolarHBondContact O-N 3.03Å; R2040-L2042 VanDerWaalsContact C-N 3.31Å; R2040-L2042 PolarHBondContact O-N 3.1Å; R2040-C2043 WeakPolarHBondContact O-CB 3.49Å; R2040-C2043 PolarHBondContact O-N 3Å; R2040-W2044 PolarHBondContact O-N 3.03Å; R2040-E2199 IonicContact NH1-OE2 3.8Å; R2040-S2201 WeakPolarHBondContact CD-O 3.47Å; R2040-P2203 HydrophobicContact CG-CB 3.96Å; R2040-P2203 HydrophobicContact CG-CG 4.4Å; R2040-I2206 HydrophobicContact CG-CD1 4.08Å |
| 2041 | I | 89.6 | Confident | 85.7 | Confident | 3.33333 Ų | 3.33333 | 12 Ų | 12 | 2% | 0.017 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 176.8 | -61.5 | -58 | 0 | 0 | 0 | 110.9 | E1982 M1985 I2011 L2015 F2037 I2038 P2039 C2043 W2044 S2045 | E1982-I2041 HydrophobicContact CG-CD1 4.15Å; M1985-I2041 HydrophobicContact CB-CD1 4.14Å; M1985-I2041 HydrophobicContact CE-CD1 3.71Å; M1985-I2041 HydrophobicContact CE-CG1 4.01Å; M1985-I2041 HydrophobicContact SD-CD1 3.83Å; M1985-I2041 HydrophobicContact SD-CG1 4.08Å; M1985-I2041 HydrophobicContact SD-CG2 4Å; I2011-I2041 HydrophobicContact CG2-CG2 4.24Å; L2015-I2041 HydrophobicContact CD1-CG2 4.01Å; L2015-I2041 HydrophobicContact CD2-CG2 4.24Å; L2015-I2041 HydrophobicContact CG-CG2 4.48Å; F2037-I2041 HydrophobicContact CD1-CG1 4.35Å; F2037-I2041 HydrophobicContact CE1-CG1 3.98Å; F2037-I2041 HydrophobicContact CE2-CG1 4.41Å; F2037-I2041 HydrophobicContact CZ-CD1 4.4Å; F2037-I2041 HydrophobicContact CZ-CG1 4.07Å; F2037-I2041 WeakPolarHBondContact O-CG1 3.13Å; F2037-I2041 PolarHBondContact O-N 3.22Å; F2037-I2041 VanDerWaalsContact O-N 3.11Å; I2038-I2041 PolarHBondContact O-N 3.41Å; I2038-I2041 VanDerWaalsContact O-N 3.14Å; P2039-I2041 PolarHBondContact O-N 3.16Å; I2041-C2043 VanDerWaalsContact C-N 3.33Å; I2041-C2043 PolarHBondContact O-N 3.42Å; I2041-W2044 PolarHBondContact O-N 3.22Å; I2041-S2045 VanDerWaalsContact O-CB 3.27Å; I2041-S2045 WeakPolarHBondContact O-CB 3.24Å; I2041-S2045 PolarHBondContact O-N 3.24Å; I2041-S2045 PolarHBondContact O-OG 3.18Å |
| 2042 | L | 90.4 | Very high | 84.8 | Confident | 2.33333 Ų | 2.33333 | 10.8 Ų | 10.8 | 1% | 0.012 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 174.5 | -70.7 | 178.9 | 0 | 0 | 0 | 111.4 | I2038 P2039 R2040 W2044 S2045 E2046 M2134 Y2135 I2138 L2156 W2159 F2219 | I2038-L2042 HydrophobicContact CG2-CD1 3.9Å; I2038-L2042 HydrophobicContact CG2-CG 4.19Å; I2038-L2042 WeakPolarHBondContact O-CB 3.39Å; I2038-L2042 WeakPolarHBondContact O-CG 3.33Å; I2038-L2042 PolarHBondContact O-N 3.21Å; P2039-L2042 WeakPolarHBondContact O-CB 3.47Å; P2039-L2042 PolarHBondContact O-N 3.17Å; R2040-L2042 VanDerWaalsContact C-N 3.31Å; R2040-L2042 PolarHBondContact O-N 3.1Å; L2042-W2044 PolarHBondContact O-N 3.41Å; L2042-S2045 WeakPolarHBondContact CA-OG 3.34Å; L2042-S2045 PolarHBondContact O-N 3.17Å; L2042-S2045 PolarHBondContact O-OG 3.1Å; L2042-E2046 VanDerWaalsContact O-CB 3.27Å; L2042-E2046 WeakPolarHBondContact O-CB 3.31Å; L2042-E2046 PolarHBondContact O-N 2.98Å; L2042-M2134 HydrophobicContact CD2-CB 3.84Å; L2042-M2134 HydrophobicContact CD2-CG 3.97Å; L2042-Y2135 VanDerWaalsContact CD2-N 3.34Å; L2042-I2138 HydrophobicContact CD1-CD1 4.3Å; L2042-I2138 HydrophobicContact CD2-CD1 3.48Å; L2042-I2138 VanDerWaalsContact CD2-CD1 3.44Å; L2042-I2138 HydrophobicContact CD2-CG1 4.29Å; L2042-I2138 HydrophobicContact CG-CD1 3.94Å; L2042-L2156 HydrophobicContact CD1-CD1 4.3Å; L2042-W2159 HydrophobicContact CB-CH2 4.46Å; L2042-W2159 HydrophobicContact CD1-CZ3 4.24Å; L2042-F2219 HydrophobicContact CB-CZ 4.31Å |
| 2043 | C | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 177.5 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | P2039 R2040 I2041 S2045 E2046 I2047 P2203 I2206 L2207 | P2039-C2043 PolarHBondContact O-N 3.05Å; P2039-C2043 PolarHBondContact O-SG 3.19Å; R2040-C2043 WeakPolarHBondContact O-CB 3.49Å; R2040-C2043 PolarHBondContact O-N 3Å; I2041-C2043 VanDerWaalsContact C-N 3.33Å; I2041-C2043 PolarHBondContact O-N 3.42Å; C2043-S2045 VanDerWaalsContact C-N 3.34Å; C2043-S2045 PolarHBondContact O-N 3.2Å; C2043-E2046 WeakPolarHBondContact O-CB 3.13Å; C2043-E2046 PolarHBondContact O-N 3.16Å; C2043-I2047 WeakPolarHBondContact O-CD1 3.4Å; C2043-I2047 VanDerWaalsContact O-CG1 3.29Å; C2043-I2047 WeakPolarHBondContact O-CG1 3.37Å; C2043-I2047 PolarHBondContact O-N 3.38Å; C2043-I2047 VanDerWaalsContact O-N 3.09Å; C2043-P2203 PolarHBondContact SG-O 3.05Å; C2043-I2206 HydrophobicContact CB-CB 4.46Å; C2043-I2206 HydrophobicContact CB-CG2 4.02Å; C2043-L2207 HydrophobicContact CB-CD1 4.44Å; C2043-L2207 HydrophobicContact CB-CD2 3.81Å; C2043-L2207 HydrophobicContact CB-CG 3.91Å; C2043-L2207 WeakPolarHBondContact SG-CD1 3.45Å; C2043-L2207 WeakPolarHBondContact SG-CG 3.38Å |
| 2044 | W | 87.7 | Confident | 82 | Confident | 34.6667 Ų | 34.6667 | 13.7 Ų | 13.7 | 13% | 0.131 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 179.5 | -69.2 | 124.3 | 0 | 0 | 0 | 112.4 | L1989 L1992 R2040 I2041 L2042 E2046 I2047 C2048 I2206 H2210 | L1989-W2044 HydrophobicContact CD1-CB 3.74Å; L1992-W2044 HydrophobicContact CD2-CB 4.34Å; L1992-W2044 HydrophobicContact CD2-CD2 3.88Å; L1992-W2044 HydrophobicContact CD2-CE3 3.19Å; L1992-W2044 HydrophobicContact CD2-CG 4.33Å; L1992-W2044 HydrophobicContact CD2-CZ3 3.74Å; R2040-W2044 PolarHBondContact O-N 3.03Å; I2041-W2044 PolarHBondContact O-N 3.22Å; L2042-W2044 PolarHBondContact O-N 3.41Å; W2044-E2046 VanDerWaalsContact C-N 3.32Å; W2044-E2046 PolarHBondContact O-N 3.26Å; W2044-I2047 HydrophobicContact CE3-CD1 3.93Å; W2044-I2047 HydrophobicContact CZ3-CD1 4.18Å; W2044-I2047 PolarHBondContact O-N 2.99Å; W2044-C2048 WeakPolarHBondContact O-CB 3.36Å; W2044-C2048 PolarHBondContact O-N 3.17Å; W2044-C2048 PolarHBondContact O-SG 3.1Å; W2044-I2206 HydrophobicContact CD2-CG2 4.19Å; W2044-I2206 HydrophobicContact CE3-CG2 4.1Å; W2044-I2206 HydrophobicContact CH2-CG2 3.96Å; W2044-I2206 HydrophobicContact CZ2-CD1 3.85Å; W2044-I2206 HydrophobicContact CZ2-CG1 4.17Å; W2044-I2206 HydrophobicContact CZ2-CG2 4.02Å; W2044-I2206 HydrophobicContact CZ3-CG2 3.99Å; W2044-H2210 AromaticContact CZ3-NE2 3.97Å |
| 2045 | S | 87.1 | Confident | 80.4 | Confident | 2.66667 Ų | 2.66667 | 18.2 Ų | 18.2 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 176.6 | 71.3 | 0 | 0 | 0 | 0 | 112 | F2008 I2041 L2042 C2043 C2048 S2049 M2134 | F2008-S2045 WeakPolarHBondContact CE1-O 3.41Å; F2008-S2045 VanDerWaalsContact CZ-O 3.29Å; F2008-S2045 WeakPolarHBondContact CZ-O 3.4Å; I2041-S2045 VanDerWaalsContact O-CB 3.27Å; I2041-S2045 WeakPolarHBondContact O-CB 3.24Å; I2041-S2045 PolarHBondContact O-N 3.24Å; I2041-S2045 PolarHBondContact O-OG 3.18Å; L2042-S2045 WeakPolarHBondContact CA-OG 3.34Å; L2042-S2045 PolarHBondContact O-N 3.17Å; L2042-S2045 PolarHBondContact O-OG 3.1Å; C2043-S2045 VanDerWaalsContact C-N 3.34Å; C2043-S2045 PolarHBondContact O-N 3.2Å; S2045-C2048 PolarHBondContact O-N 3.01Å; S2045-S2049 VanDerWaalsContact O-CB 3.27Å; S2045-S2049 WeakPolarHBondContact O-CB 3.46Å; S2045-S2049 PolarHBondContact O-N 3.3Å; S2045-S2049 PolarHBondContact O-OG 3.01Å; S2045-M2134 VanDerWaalsContact OG-CB 3.29Å; S2045-M2134 WeakPolarHBondContact OG-CB 3.4Å |
| 2046 | E | 84.5 | Confident | 78.7 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.9 | -49.8 | 177.9 | -175.7 | 63.8 | -164.2 | 0 | 0 | 110.9 | L2042 C2043 W2044 C2048 S2049 L2050 R2130 F2133 L2211 H2215 F2219 | L2042-E2046 VanDerWaalsContact O-CB 3.27Å; L2042-E2046 WeakPolarHBondContact O-CB 3.31Å; L2042-E2046 PolarHBondContact O-N 2.98Å; C2043-E2046 WeakPolarHBondContact O-CB 3.13Å; C2043-E2046 PolarHBondContact O-N 3.16Å; W2044-E2046 VanDerWaalsContact C-N 3.32Å; W2044-E2046 PolarHBondContact O-N 3.26Å; E2046-C2048 VanDerWaalsContact C-N 3.3Å; E2046-C2048 PolarHBondContact O-N 3.24Å; E2046-S2049 PolarHBondContact O-N 3.31Å; E2046-S2049 VanDerWaalsContact O-N 3.15Å; E2046-S2049 PolarHBondContact O-OG 3.16Å; E2046-L2050 HydrophobicContact CG-CD1 4.33Å; E2046-L2050 WeakPolarHBondContact O-CG 3.4Å; E2046-L2050 PolarHBondContact O-N 3.21Å; E2046-R2130 IonicContact OE1-CZ 3.09Å; E2046-R2130 IonicContact OE1-NH1 3.45Å; E2046-R2130 PolarHBondContact OE1-NH1 2.85Å; E2046-R2130 IonicContact OE1-NH2 3.57Å; E2046-R2130 PolarHBondContact OE1-NH2 3.24Å; E2046-R2130 IonicContact OE2-CZ 2.67Å; E2046-R2130 IonicContact OE2-NH2 3.87Å; E2046-R2130 PolarHBondContact OE2-NH2 3.13Å; E2046-F2133 HydrophobicContact CG-CE1 4.46Å; E2046-F2133 VanDerWaalsContact OE1-CD1 3.24Å; E2046-F2133 WeakPolarHBondContact OE1-CD1 3.27Å; E2046-F2133 WeakPolarHBondContact OE1-CE1 3.27Å; E2046-F2133 WeakPolarHBondContact OE1-CZ 3.47Å; E2046-F2133 WeakPolarHBondContact OE2-CD1 3.42Å; E2046-F2133 WeakPolarHBondContact OE2-CE1 3.43Å; E2046-F2133 WeakPolarHBondContact OE2-CG 3.3Å; E2046-L2211 HydrophobicContact CG-CD1 3.97Å; E2046-H2215 IonicContact OE1-CD2 4Å; E2046-H2215 IonicContact OE1-CE1 3.61Å; E2046-H2215 PolarHBondContact OE1-CE1 3.05Å; E2046-H2215 VanDerWaalsContact OE1-CE1 3.29Å; E2046-H2215 IonicContact OE1-NE2 3.28Å; E2046-H2215 PolarHBondContact OE1-NE2 3.33Å; E2046-F2219 HydrophobicContact CB-CD2 4.14Å; E2046-F2219 HydrophobicContact CB-CE2 3.89Å; E2046-F2219 HydrophobicContact CG-CD2 3.68Å; E2046-F2219 HydrophobicContact CG-CE2 3.97Å; E2046-F2219 HydrophobicContact CG-CG 4.46Å |
| 2047 | I | 82.4 | Confident | 77.1 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.5 | -47.9 | 177.3 | -66.7 | 161.1 | 0 | 0 | 0 | 110.4 | C2043 W2044 S2049 L2050 N2051 I2206 H2210 L2211 | C2043-I2047 WeakPolarHBondContact O-CD1 3.4Å; C2043-I2047 VanDerWaalsContact O-CG1 3.29Å; C2043-I2047 WeakPolarHBondContact O-CG1 3.37Å; C2043-I2047 PolarHBondContact O-N 3.38Å; C2043-I2047 VanDerWaalsContact O-N 3.09Å; W2044-I2047 HydrophobicContact CE3-CD1 3.93Å; W2044-I2047 HydrophobicContact CZ3-CD1 4.18Å; W2044-I2047 PolarHBondContact O-N 2.99Å; I2047-S2049 VanDerWaalsContact C-N 3.34Å; I2047-S2049 PolarHBondContact O-N 3.43Å; I2047-L2050 PolarHBondContact O-N 3.13Å; I2047-N2051 PolarHBondContact O-N 3.06Å; I2047-N2051 VanDerWaalsContact O-N 3.12Å; I2047-I2206 HydrophobicContact CD1-CG2 3.64Å; I2047-H2210 HydrophobicContact CD1-CB 3.59Å; I2047-H2210 HydrophobicContact CG1-CB 3.92Å; I2047-H2210 HydrophobicContact CG2-CB 4.36Å; I2047-L2211 HydrophobicContact CG1-CD1 4.33Å; I2047-L2211 HydrophobicContact CG1-CD2 4.19Å; I2047-L2211 HydrophobicContact CG1-CG 4.08Å |
| 2048 | C | 81.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 179.7 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | L1989 T1991 L1992 F2008 W2044 S2045 E2046 L2050 N2051 V2052 | L1989-C2048 HydrophobicContact CB-CB 4.44Å; L1989-C2048 HydrophobicContact CD2-CB 3.95Å; T1991-C2048 WeakPolarHBondContact OG1-CA 3.27Å; T1991-C2048 VanDerWaalsContact OG1-CB 3.28Å; T1991-C2048 WeakPolarHBondContact OG1-CB 3.29Å; T1991-C2048 PolarHBondContact OG1-O 2.98Å; T1991-C2048 PolarHBondContact OG1-SG 3.16Å; T1991-C2048 VanDerWaalsContact OG1-SG 3.39Å; L1992-C2048 VanDerWaalsContact CD2-SG 3.58Å; F2008-C2048 HydrophobicContact CE1-CB 4.43Å; F2008-C2048 HydrophobicContact CE2-CB 3.82Å; F2008-C2048 HydrophobicContact CZ-CB 3.68Å; W2044-C2048 WeakPolarHBondContact O-CB 3.36Å; W2044-C2048 PolarHBondContact O-N 3.17Å; W2044-C2048 PolarHBondContact O-SG 3.1Å; S2045-C2048 PolarHBondContact O-N 3.01Å; E2046-C2048 VanDerWaalsContact C-N 3.3Å; E2046-C2048 PolarHBondContact O-N 3.24Å; C2048-L2050 VanDerWaalsContact C-N 3.3Å; C2048-L2050 PolarHBondContact O-N 3.42Å; C2048-N2051 PolarHBondContact O-N 2.98Å; C2048-N2051 VanDerWaalsContact O-N 3.11Å; C2048-V2052 VanDerWaalsContact O-CG2 3.29Å; C2048-V2052 WeakPolarHBondContact O-CG2 3.41Å; C2048-V2052 PolarHBondContact O-N 2.98Å; C2048-V2052 VanDerWaalsContact O-N 3.16Å |
| 2049 | S | 78.2 | Confident | 72.8 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -29.9 | -178.6 | 72.5 | 0 | 0 | 0 | 0 | 112.6 | S2045 E2046 I2047 S2053 R2130 F2133 | S2045-S2049 VanDerWaalsContact O-CB 3.27Å; S2045-S2049 WeakPolarHBondContact O-CB 3.46Å; S2045-S2049 PolarHBondContact O-N 3.3Å; S2045-S2049 PolarHBondContact O-OG 3.01Å; E2046-S2049 PolarHBondContact O-N 3.31Å; E2046-S2049 VanDerWaalsContact O-N 3.15Å; E2046-S2049 PolarHBondContact O-OG 3.16Å; I2047-S2049 VanDerWaalsContact C-N 3.34Å; I2047-S2049 PolarHBondContact O-N 3.43Å; S2049-S2053 VanDerWaalsContact O-CB 3.29Å; S2049-S2053 WeakPolarHBondContact O-CB 3.36Å; S2049-S2053 PolarHBondContact O-N 3.34Å; S2049-S2053 PolarHBondContact O-OG 3.45Å; S2049-R2130 PolarHBondContact OG-NH2 3.19Å; S2049-F2133 VanDerWaalsContact OG-CD1 3.23Å; S2049-F2133 WeakPolarHBondContact OG-CD1 3.44Å; S2049-F2133 WeakPolarHBondContact OG-CE1 3.49Å |
| 2050 | L | 74.5 | Confident | 70.5 | Confident | 28.6667 Ų | 28.6667 | 36.5 Ų | 36.5 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -76 | -35.1 | 174.4 | -70.1 | 168.4 | 0 | 0 | 0 | 112.1 | E2046 I2047 C2048 V2052 S2053 V2054 L2211 H2215 | E2046-L2050 HydrophobicContact CG-CD1 4.33Å; E2046-L2050 WeakPolarHBondContact O-CG 3.4Å; E2046-L2050 PolarHBondContact O-N 3.21Å; I2047-L2050 PolarHBondContact O-N 3.13Å; C2048-L2050 VanDerWaalsContact C-N 3.3Å; C2048-L2050 PolarHBondContact O-N 3.42Å; L2050-V2052 VanDerWaalsContact C-N 3.34Å; L2050-V2052 PolarHBondContact O-N 2.91Å; L2050-S2053 PolarHBondContact O-N 2.84Å; L2050-V2054 WeakPolarHBondContact O-CB 3.48Å; L2050-V2054 VanDerWaalsContact O-CG2 3.25Å; L2050-V2054 WeakPolarHBondContact O-CG2 3.41Å; L2050-V2054 PolarHBondContact O-N 3.29Å; L2050-L2211 HydrophobicContact CD1-CD1 4.33Å; L2050-L2211 HydrophobicContact CD1-CD2 3.56Å; L2050-L2211 VanDerWaalsContact CD1-CD2 3.46Å; L2050-H2215 WeakPolarHBondContact CD1-NE2 3.24Å |
| 2051 | N | 71.8 | Confident | 68.4 | Low | 87.3333 Ų | 87.3333 | 40.1 Ų | 40.1 | 47% | 0.467 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -73.9 | -31.5 | 178.7 | -70.4 | -11.5 | 0 | 0 | 0 | 112.7 | T1991 I2047 C2048 S2053 N2055 | T1991-N2051 PolarHBondContact O-ND2 3.37Å; I2047-N2051 PolarHBondContact O-N 3.06Å; I2047-N2051 VanDerWaalsContact O-N 3.12Å; C2048-N2051 PolarHBondContact O-N 2.98Å; C2048-N2051 VanDerWaalsContact O-N 3.11Å; N2051-S2053 PolarHBondContact O-N 2.91Å; N2051-N2055 PolarHBondContact O-N 2.96Å; N2051-N2055 PolarHBondContact O-ND2 3.48Å; N2051-N2055 PolarHBondContact O-OD1 3.4Å |
| 2052 | V | 68.8 | Low | 66.3 | Low | 6.33333 Ų | 6.33333 | 45.7 Ų | 45.7 | 4% | 0.038 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.9 | 86.2 | 178.7 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | T1991 E2004 F2005 F2008 C2048 L2050 V2054 A2058 I2131 | T1991-V2052 HydrophobicContact CG2-CG2 3.7Å; T1991-V2052 VanDerWaalsContact CG2-CG2 3.47Å; E2004-V2052 HydrophobicContact CB-CG1 3.83Å; E2004-V2052 HydrophobicContact CB-CG2 3.87Å; E2004-V2052 HydrophobicContact CG-CG1 4.4Å; E2004-V2052 HydrophobicContact CG-CG2 4.3Å; F2005-V2052 HydrophobicContact CD1-CG1 4.23Å; F2005-V2052 HydrophobicContact CD2-CG1 4.31Å; F2005-V2052 HydrophobicContact CE1-CB 4.36Å; F2005-V2052 HydrophobicContact CE1-CG1 3.63Å; F2005-V2052 HydrophobicContact CE2-CG1 3.92Å; F2005-V2052 HydrophobicContact CZ-CG1 3.58Å; F2008-V2052 HydrophobicContact CE2-CG2 4.35Å; C2048-V2052 VanDerWaalsContact O-CG2 3.29Å; C2048-V2052 WeakPolarHBondContact O-CG2 3.41Å; C2048-V2052 PolarHBondContact O-N 2.98Å; C2048-V2052 VanDerWaalsContact O-N 3.16Å; L2050-V2052 VanDerWaalsContact C-N 3.34Å; L2050-V2052 PolarHBondContact O-N 2.91Å; V2052-V2054 PolarHBondContact O-N 2.96Å; V2052-A2058 WeakPolarHBondContact O-CB 3.28Å; V2052-I2131 HydrophobicContact CB-CD1 4.13Å; V2052-I2131 HydrophobicContact CG1-CD1 3.81Å; V2052-I2131 HydrophobicContact CG1-CG1 4.4Å; V2052-I2131 HydrophobicContact CG2-CD1 4.21Å |
| 2053 | S | 61.2 | Low | 64.1 | Low | 40.6667 Ų | 40.6667 | 54 Ų | 54 | 28% | 0.284 | 29% | 0.292 | S | S | . | . | trans | -76.2 | 97.5 | 176.4 | 60.3 | 0 | 0 | 0 | 0 | 111.3 | S2049 L2050 N2051 N2055 P2127 R2130 I2131 | S2049-S2053 VanDerWaalsContact O-CB 3.29Å; S2049-S2053 WeakPolarHBondContact O-CB 3.36Å; S2049-S2053 PolarHBondContact O-N 3.34Å; S2049-S2053 PolarHBondContact O-OG 3.45Å; L2050-S2053 PolarHBondContact O-N 2.84Å; N2051-S2053 PolarHBondContact O-N 2.91Å; S2053-N2055 VanDerWaalsContact C-N 3.26Å; S2053-N2055 PolarHBondContact O-N 3.26Å; S2053-N2055 WeakPolarHBondContact OG-CB 3.21Å; S2053-N2055 PolarHBondContact OG-N 2.78Å; S2053-N2055 PolarHBondContact OG-ND2 3.07Å; S2053-P2127 VanDerWaalsContact CB-CG 3.44Å; S2053-P2127 WeakPolarHBondContact O-CG 3.46Å; S2053-R2130 WeakPolarHBondContact OG-CA 3.35Å; S2053-R2130 WeakPolarHBondContact OG-CB 3.16Å; S2053-I2131 PolarHBondContact OG-N 3.25Å | ||
| 2054 | V | 57.8 | Low | 62.1 | Low | 33.6667 Ų | 33.6667 | 61.3 Ų | 61.3 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | trans | -81.5 | -11.9 | 177 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | F2005 L2050 V2052 D2056 L2057 A2058 W2074 Y2079 P2127 H2129 | F2005-V2054 HydrophobicContact CE1-CB 4.33Å; F2005-V2054 HydrophobicContact CE1-CG1 4.06Å; F2005-V2054 HydrophobicContact CE1-CG2 3.53Å; F2005-V2054 HydrophobicContact CE2-CG1 4.33Å; F2005-V2054 HydrophobicContact CZ-CB 3.71Å; F2005-V2054 HydrophobicContact CZ-CG1 3.59Å; F2005-V2054 HydrophobicContact CZ-CG2 3.27Å; L2050-V2054 WeakPolarHBondContact O-CB 3.48Å; L2050-V2054 VanDerWaalsContact O-CG2 3.25Å; L2050-V2054 WeakPolarHBondContact O-CG2 3.41Å; L2050-V2054 PolarHBondContact O-N 3.29Å; V2052-V2054 PolarHBondContact O-N 2.96Å; V2054-D2056 PolarHBondContact O-N 3.39Å; V2054-L2057 HydrophobicContact CG1-CB 4.05Å; V2054-L2057 CarbonylContact O-C 3.56Å; V2054-L2057 WeakPolarHBondContact O-CA 3.45Å; V2054-L2057 PolarHBondContact O-N 3.36Å; V2054-A2058 HydrophobicContact CG1-CB 4.41Å; V2054-A2058 WeakPolarHBondContact O-CB 3.47Å; V2054-A2058 PolarHBondContact O-N 2.86Å; V2054-W2074 HydrophobicContact CG1-CH2 4.31Å; V2054-W2074 HydrophobicContact CG1-CZ3 3.92Å; V2054-W2074 HydrophobicContact CG2-CZ3 4.24Å; V2054-Y2079 HydrophobicContact CG1-CE1 3.85Å; V2054-Y2079 HydrophobicContact CG2-CD1 4.02Å; V2054-Y2079 HydrophobicContact CG2-CE1 3.83Å; V2054-P2127 HydrophobicContact CG2-CG 4.16Å; V2054-H2129 HydrophobicContact CB-CB 3.48Å; V2054-H2129 VanDerWaalsContact CB-CB 3.48Å; V2054-H2129 WeakPolarHBondContact CB-O 3.25Å; V2054-H2129 HydrophobicContact CG1-CB 4.08Å; V2054-H2129 WeakPolarHBondContact CG1-O 3.49Å; V2054-H2129 HydrophobicContact CG2-CB 3.72Å; V2054-H2129 VanDerWaalsContact CG2-O 3.24Å; V2054-H2129 WeakPolarHBondContact CG2-O 3.26Å; V2054-H2129 PolarHBondContact N-O 3.47Å | ||
| 2055 | N | 54.4 | Low | 60.3 | Low | 98.6667 Ų | 98.6667 | 62.3 Ų | 62.3 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -58.3 | -34.9 | -176.5 | -71 | -11.2 | 0 | 0 | 0 | 112.5 | N2051 S2053 L2057 A2058 Q2059 | N2051-N2055 PolarHBondContact O-N 2.96Å; N2051-N2055 PolarHBondContact O-ND2 3.48Å; N2051-N2055 PolarHBondContact O-OD1 3.4Å; S2053-N2055 VanDerWaalsContact C-N 3.26Å; S2053-N2055 PolarHBondContact O-N 3.26Å; S2053-N2055 WeakPolarHBondContact OG-CB 3.21Å; S2053-N2055 PolarHBondContact OG-N 2.78Å; S2053-N2055 PolarHBondContact OG-ND2 3.07Å; N2055-L2057 VanDerWaalsContact C-N 3.26Å; N2055-L2057 PolarHBondContact O-N 3.12Å; N2055-A2058 PolarHBondContact O-N 3.36Å; N2055-Q2059 PolarHBondContact O-N 3.36Å |
| 2056 | D | 50.8 | Low | 58.4 | Low | 128.667 Ų | 128.667 | 66.1 Ų | 66.1 | 69% | 0.688 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.8 | -26.5 | 178.6 | -65.9 | -22.9 | 0 | 0 | 0 | 113.3 | V2054 A2058 Q2059 S2060 | V2054-D2056 PolarHBondContact O-N 3.39Å; D2056-A2058 PolarHBondContact O-N 3.15Å; D2056-Q2059 PolarHBondContact O-N 3.43Å; D2056-S2060 PolarHBondContact O-N 3.08Å |
| 2057 | L | 50 | Low | 56.7 | Low | 39.6667 Ų | 39.6667 | 69.6 Ų | 69.6 | 21% | 0.208 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -80.4 | -32.6 | 177.4 | -114.6 | 99 | 0 | 0 | 0 | 112.5 | G2001 K2002 F2005 V2054 N2055 Q2059 S2060 V2061 L2065 V2069 W2074 | G2001-L2057 WeakPolarHBondContact O-CD1 3.22Å; K2002-L2057 HydrophobicContact CG-CD2 4.07Å; F2005-L2057 HydrophobicContact CD1-CD1 4.37Å; F2005-L2057 HydrophobicContact CD2-CD1 4.03Å; F2005-L2057 HydrophobicContact CD2-CD2 4.17Å; F2005-L2057 HydrophobicContact CE1-CD1 3.93Å; F2005-L2057 HydrophobicContact CE2-CD1 3.48Å; F2005-L2057 HydrophobicContact CE2-CD2 4.29Å; F2005-L2057 HydrophobicContact CG-CD1 4.29Å; F2005-L2057 HydrophobicContact CZ-CD1 3.3Å; V2054-L2057 HydrophobicContact CG1-CB 4.05Å; V2054-L2057 CarbonylContact O-C 3.56Å; V2054-L2057 WeakPolarHBondContact O-CA 3.45Å; V2054-L2057 PolarHBondContact O-N 3.36Å; N2055-L2057 VanDerWaalsContact C-N 3.26Å; N2055-L2057 PolarHBondContact O-N 3.12Å; L2057-Q2059 PolarHBondContact O-N 3.26Å; L2057-S2060 CarbonylContact O-C 3.58Å; L2057-S2060 WeakPolarHBondContact O-CA 3.3Å; L2057-S2060 WeakPolarHBondContact O-CB 3.42Å; L2057-S2060 PolarHBondContact O-N 3.19Å; L2057-S2060 PolarHBondContact O-OG 3.16Å; L2057-V2061 HydrophobicContact CD2-CG2 4.46Å; L2057-V2061 WeakPolarHBondContact O-CG2 3.38Å; L2057-V2061 PolarHBondContact O-N 3.43Å; L2057-L2065 HydrophobicContact CD2-CD2 3.97Å; L2057-V2069 HydrophobicContact CD1-CG1 4.41Å; L2057-V2069 HydrophobicContact CD2-CG1 4.37Å; L2057-V2069 HydrophobicContact CD2-CG2 3.62Å; L2057-W2074 HydrophobicContact CD1-CH2 4Å; L2057-W2074 HydrophobicContact CD1-CZ2 3.95Å; L2057-W2074 HydrophobicContact CD2-CH2 3.91Å; L2057-W2074 HydrophobicContact CD2-CZ2 3.61Å; L2057-W2074 HydrophobicContact CG-CH2 4.4Å; L2057-W2074 HydrophobicContact CG-CZ2 4.38Å |
| 2058 | A | 47.4 | Very low | 55 | Low | 32.6667 Ų | 32.6667 | 70.6 Ų | 70.6 | 27% | 0.27 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.4 | -10.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F2005 V2052 V2054 N2055 D2056 S2060 V2061 H2129 | F2005-A2058 HydrophobicContact CE2-CB 4.48Å; F2005-A2058 HydrophobicContact CZ-CB 3.78Å; V2052-A2058 WeakPolarHBondContact O-CB 3.28Å; V2054-A2058 HydrophobicContact CG1-CB 4.41Å; V2054-A2058 WeakPolarHBondContact O-CB 3.47Å; V2054-A2058 PolarHBondContact O-N 2.86Å; N2055-A2058 PolarHBondContact O-N 3.36Å; D2056-A2058 PolarHBondContact O-N 3.15Å; A2058-S2060 PolarHBondContact O-N 3.12Å; A2058-V2061 WeakPolarHBondContact O-CB 3.26Å; A2058-V2061 WeakPolarHBondContact O-CG2 3.42Å; A2058-V2061 PolarHBondContact O-N 3.11Å; A2058-V2061 VanDerWaalsContact O-N 3.15Å; A2058-H2129 HydrophobicContact CB-CB 4.44Å |
| 2059 | Q | 43.4 | Very low | 53.6 | Low | 150.667 Ų | 150.667 | 70.9 Ų | 70.9 | 70% | 0.704 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.6 | -1.8 | 171.5 | -69.7 | -171.9 | -1.7 | 0 | 0 | 111.5 | N2055 D2056 L2057 V2061 | N2055-Q2059 PolarHBondContact O-N 3.36Å; D2056-Q2059 PolarHBondContact O-N 3.43Å; L2057-Q2059 PolarHBondContact O-N 3.26Å; Q2059-V2061 VanDerWaalsContact C-N 3.28Å; Q2059-V2061 PolarHBondContact O-N 3.35Å |
| 2060 | S | 41.8 | Very low | 52.3 | Low | 61.3333 Ų | 61.3333 | 79 Ų | 79 | 43% | 0.429 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 8.3 | 174.7 | 80.6 | 0 | 0 | 0 | 0 | 115.6 | D2056 L2057 A2058 D2062 E2063 K2064 | D2056-S2060 PolarHBondContact O-N 3.08Å; L2057-S2060 CarbonylContact O-C 3.58Å; L2057-S2060 WeakPolarHBondContact O-CA 3.3Å; L2057-S2060 WeakPolarHBondContact O-CB 3.42Å; L2057-S2060 PolarHBondContact O-N 3.19Å; L2057-S2060 PolarHBondContact O-OG 3.16Å; A2058-S2060 PolarHBondContact O-N 3.12Å; S2060-D2062 PolarHBondContact O-N 3.26Å; S2060-E2063 PolarHBondContact O-N 3.47Å; S2060-K2064 WeakPolarHBondContact O-CB 3.39Å; S2060-K2064 PolarHBondContact O-N 3.08Å |
| 2061 | V | 44.4 | Very low | 51.2 | Low | 78.6667 Ų | 78.6667 | 83.1 Ų | 83.1 | 48% | 0.477 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60 | -21.8 | -175.9 | 175.4 | 0 | 0 | 0 | 0 | 112.9 | F2005 L2057 A2058 Q2059 E2063 L2065 | F2005-V2061 HydrophobicContact CE2-CG2 3.94Å; F2005-V2061 HydrophobicContact CZ-CG2 4.07Å; L2057-V2061 HydrophobicContact CD2-CG2 4.46Å; L2057-V2061 WeakPolarHBondContact O-CG2 3.38Å; L2057-V2061 PolarHBondContact O-N 3.43Å; A2058-V2061 WeakPolarHBondContact O-CB 3.26Å; A2058-V2061 WeakPolarHBondContact O-CG2 3.42Å; A2058-V2061 PolarHBondContact O-N 3.11Å; A2058-V2061 VanDerWaalsContact O-N 3.15Å; Q2059-V2061 VanDerWaalsContact C-N 3.28Å; Q2059-V2061 PolarHBondContact O-N 3.35Å; V2061-E2063 VanDerWaalsContact C-N 3.31Å; V2061-E2063 PolarHBondContact O-N 3.16Å; V2061-L2065 HydrophobicContact CG1-CD1 3.57Å; V2061-L2065 PolarHBondContact O-N 3.36Å |
| 2062 | D | 44.8 | Very low | 50.3 | Low | 120.333 Ų | 120.333 | 79.6 Ų | 79.6 | 64% | 0.643 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.7 | -175.1 | -93.9 | -4.8 | 0 | 0 | 0 | 114 | S2060 K2064 H2129 | S2060-D2062 PolarHBondContact O-N 3.26Å; D2062-K2064 HydrophobicContact CB-CD 4.26Å; D2062-K2064 HydrophobicContact CB-CG 4.31Å; D2062-K2064 PolarHBondContact O-N 2.86Å; D2062-K2064 IonicContact OD2-NZ 3.49Å; D2062-K2064 PolarHBondContact OD2-NZ 3.42Å; D2062-H2129 IonicContact OD2-CE1 2.76Å; D2062-H2129 IonicContact OD2-ND1 3.38Å |
| 2063 | E | 45.4 | Very low | 49.7 | Very low | 177.333 Ų | 177.333 | 84.9 Ų | 84.9 | 83% | 0.829 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -115.2 | -2.8 | -179.5 | -67.4 | -167.3 | 160.7 | 0 | 0 | 116.6 | S2060 V2061 L2065 | S2060-E2063 PolarHBondContact O-N 3.47Å; V2061-E2063 VanDerWaalsContact C-N 3.31Å; V2061-E2063 PolarHBondContact O-N 3.16Å; E2063-L2065 PolarHBondContact O-N 3.25Å |
| 2064 | K | 46.1 | Very low | 49.6 | Very low | 153.667 Ų | 153.667 | 85.3 Ų | 85.3 | 67% | 0.668 | 43% | 0.432 | S | S | * | . | trans | -131.6 | 79 | 176.8 | -76.7 | 164.5 | -170.8 | 164.1 | 0 | 111 | S2060 D2062 H2066 | S2060-K2064 WeakPolarHBondContact O-CB 3.39Å; S2060-K2064 PolarHBondContact O-N 3.08Å; D2062-K2064 HydrophobicContact CB-CD 4.26Å; D2062-K2064 HydrophobicContact CB-CG 4.31Å; D2062-K2064 PolarHBondContact O-N 2.86Å; D2062-K2064 IonicContact OD2-NZ 3.49Å; D2062-K2064 PolarHBondContact OD2-NZ 3.42Å; K2064-H2066 PolarHBondContact O-N 3.21Å; K2064-H2066 VanDerWaalsContact O-N 3.12Å | ||
| 2065 | L | 49.5 | Very low | 49.4 | Very low | 55.3333 Ų | 55.3333 | 84.6 Ų | 84.6 | 29% | 0.29 | 43% | 0.428 | S | S | . | . | trans | -53.6 | 124.4 | 167.7 | -107.4 | 109.9 | 0 | 0 | 0 | 110.5 | L2057 V2061 E2063 V2069 R2070 P2077 Y2079 | L2057-L2065 HydrophobicContact CD2-CD2 3.97Å; V2061-L2065 HydrophobicContact CG1-CD1 3.57Å; V2061-L2065 PolarHBondContact O-N 3.36Å; E2063-L2065 PolarHBondContact O-N 3.25Å; L2065-V2069 HydrophobicContact CD1-CG1 4.38Å; L2065-V2069 HydrophobicContact CD2-CB 4.06Å; L2065-V2069 HydrophobicContact CD2-CG1 3.75Å; L2065-V2069 VanDerWaalsContact CD2-CG1 3.41Å; L2065-V2069 HydrophobicContact CG-CB 4.3Å; L2065-V2069 HydrophobicContact CG-CG1 4.29Å; L2065-R2070 HydrophobicContact CB-CG 4.08Å; L2065-R2070 HydrophobicContact CD2-CG 4.19Å; L2065-P2077 HydrophobicContact CD2-CG 3.48Å; L2065-P2077 VanDerWaalsContact CD2-CG 3.48Å; L2065-Y2079 HydrophobicContact CD1-CE2 4.03Å; L2065-Y2079 HydrophobicContact CD2-CE2 3.97Å; L2065-Y2079 WeakPolarHBondContact CD2-OH 3.01Å; L2065-Y2079 HydrophobicContact CG-CE2 4.02Å | ||
| 2066 | H | 48 | Very low | 49.4 | Very low | 82.6667 Ų | 82.6667 | 85.1 Ų | 85.1 | 38% | 0.383 | 43% | 0.43 | S | S | . | . | trans | -49.6 | 132.9 | 174.1 | -174 | -79.9 | 0 | 0 | 0 | 110.2 | K2002 K2064 A2068 V2069 R2070 | K2002-H2066 PolarHBondContact NZ-CD2 3.17Å; K2002-H2066 PolarHBondContact NZ-NE2 3.15Å; K2064-H2066 PolarHBondContact O-N 3.21Å; K2064-H2066 VanDerWaalsContact O-N 3.12Å; H2066-A2068 VanDerWaalsContact CE1-CB 3.43Å; H2066-A2068 WeakPolarHBondContact CE1-CB 3.27Å; H2066-A2068 VanDerWaalsContact ND1-CB 3.26Å; H2066-A2068 WeakPolarHBondContact ND1-CB 3.44Å; H2066-A2068 PolarHBondContact ND1-N 3.08Å; H2066-A2068 PolarHBondContact O-N 3.4Å; H2066-V2069 HydrophobicContact CB-CG2 4.32Å; H2066-V2069 WeakPolarHBondContact O-CA 3.49Å; H2066-V2069 WeakPolarHBondContact O-CB 3.12Å; H2066-V2069 PolarHBondContact O-N 3.37Å; H2066-R2070 PolarHBondContact O-N 3.02Å | ||
| 2067 | P | 48.3 | Very low | 49.6 | Very low | 77.3333 Ų | 77.3333 | 79.9 Ų | 79.9 | 50% | 0.502 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -52.4 | -36.1 | -174.7 | -14.3 | 14.3 | 0 | 0 | 0 | 113.8 | V2069 R2070 H2071 | P2067-V2069 VanDerWaalsContact C-N 3.28Å; P2067-V2069 PolarHBondContact O-N 3.23Å; P2067-R2070 CarbonylContact O-C 3.49Å; P2067-R2070 WeakPolarHBondContact O-CA 3.44Å; P2067-R2070 WeakPolarHBondContact O-CB 3.32Å; P2067-R2070 PolarHBondContact O-N 2.93Å; P2067-R2070 VanDerWaalsContact O-N 3.08Å; P2067-H2071 PolarHBondContact O-CD2 3.27Å; P2067-H2071 PolarHBondContact O-N 2.84Å |
| 2068 | A | 48 | Very low | 50 | Low | 26.3333 Ų | 26.3333 | 83.1 Ų | 83.1 | 22% | 0.218 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -60.4 | -24.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1947 F1951 I2006 H2066 H2071 V2072 | H1947-A2068 HydrophobicContact CB-CB 3.49Å; H1947-A2068 VanDerWaalsContact CB-CB 3.49Å; F1951-A2068 HydrophobicContact CE2-CB 4.45Å; I2006-A2068 HydrophobicContact CD1-CB 4.24Å; H2066-A2068 VanDerWaalsContact CE1-CB 3.43Å; H2066-A2068 WeakPolarHBondContact CE1-CB 3.27Å; H2066-A2068 VanDerWaalsContact ND1-CB 3.26Å; H2066-A2068 WeakPolarHBondContact ND1-CB 3.44Å; H2066-A2068 PolarHBondContact ND1-N 3.08Å; H2066-A2068 PolarHBondContact O-N 3.4Å; A2068-H2071 PolarHBondContact O-N 3.16Å; A2068-V2072 WeakPolarHBondContact O-CG2 3.22Å; A2068-V2072 PolarHBondContact O-N 3.49Å |
| 2069 | V | 50.3 | Low | 50.5 | Low | 7.66667 Ų | 7.66667 | 84.6 Ų | 84.6 | 5% | 0.046 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -90.4 | -20.3 | 179.5 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | K2002 L2057 L2065 H2066 P2067 H2071 V2072 W2074 P2077 | K2002-V2069 HydrophobicContact CD-CG2 4.33Å; L2057-V2069 HydrophobicContact CD1-CG1 4.41Å; L2057-V2069 HydrophobicContact CD2-CG1 4.37Å; L2057-V2069 HydrophobicContact CD2-CG2 3.62Å; L2065-V2069 HydrophobicContact CD1-CG1 4.38Å; L2065-V2069 HydrophobicContact CD2-CB 4.06Å; L2065-V2069 HydrophobicContact CD2-CG1 3.75Å; L2065-V2069 VanDerWaalsContact CD2-CG1 3.41Å; L2065-V2069 HydrophobicContact CG-CB 4.3Å; L2065-V2069 HydrophobicContact CG-CG1 4.29Å; H2066-V2069 HydrophobicContact CB-CG2 4.32Å; H2066-V2069 WeakPolarHBondContact O-CA 3.49Å; H2066-V2069 WeakPolarHBondContact O-CB 3.12Å; H2066-V2069 PolarHBondContact O-N 3.37Å; P2067-V2069 VanDerWaalsContact C-N 3.28Å; P2067-V2069 PolarHBondContact O-N 3.23Å; V2069-H2071 VanDerWaalsContact C-N 3.27Å; V2069-H2071 PolarHBondContact O-N 3.02Å; V2069-H2071 VanDerWaalsContact O-N 3.08Å; V2069-V2072 HydrophobicContact CG1-CB 4.37Å; V2069-V2072 HydrophobicContact CG1-CG2 4.48Å; V2069-V2072 CarbonylContact O-C 3.53Å; V2069-V2072 WeakPolarHBondContact O-CB 3.36Å; V2069-V2072 PolarHBondContact O-N 3.2Å; V2069-V2072 VanDerWaalsContact O-N 3.1Å; V2069-W2074 HydrophobicContact CB-CZ2 4.39Å; V2069-W2074 HydrophobicContact CG1-CD2 4.44Å; V2069-W2074 HydrophobicContact CG1-CH2 3.84Å; V2069-W2074 HydrophobicContact CG1-CZ2 3.36Å; V2069-W2074 PolarHBondContact O-NE1 3.25Å; V2069-P2077 HydrophobicContact CG1-CG 4.43Å |
| 2070 | R | 50.9 | Low | 51.1 | Low | 170.333 Ų | 170.333 | 77.5 Ų | 77.5 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.4 | 176.1 | -71.7 | -175.9 | 178 | -174.8 | -2.6 | 113.4 | L2065 H2066 P2067 V2072 | L2065-R2070 HydrophobicContact CB-CG 4.08Å; L2065-R2070 HydrophobicContact CD2-CG 4.19Å; H2066-R2070 PolarHBondContact O-N 3.02Å; P2067-R2070 CarbonylContact O-C 3.49Å; P2067-R2070 WeakPolarHBondContact O-CA 3.44Å; P2067-R2070 WeakPolarHBondContact O-CB 3.32Å; P2067-R2070 PolarHBondContact O-N 2.93Å; P2067-R2070 VanDerWaalsContact O-N 3.08Å; R2070-V2072 VanDerWaalsContact C-N 3.28Å |
| 2071 | H | 51.8 | Low | 51.8 | Low | 116 Ų | 116 | 75.7 Ų | 75.7 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.4 | 178.6 | -61.7 | -57.2 | 0 | 0 | 0 | 113.4 | Q1954 Y2009 P2067 A2068 V2069 Q2073 | Q1954-H2071 PolarHBondContact OE1-CD2 3.07Å; Q1954-H2071 PolarHBondContact OE1-NE2 3.23Å; Q1954-H2071 PolarHBondContact OE1-O 3.03Å; Y2009-H2071 HydrophobicContact CD2-CB 3.71Å; Y2009-H2071 HydrophobicContact CE2-CB 3.67Å; Y2009-H2071 HydrophobicContact CG-CB 4.25Å; P2067-H2071 PolarHBondContact O-CD2 3.27Å; P2067-H2071 PolarHBondContact O-N 2.84Å; A2068-H2071 PolarHBondContact O-N 3.16Å; V2069-H2071 VanDerWaalsContact C-N 3.27Å; V2069-H2071 PolarHBondContact O-N 3.02Å; V2069-H2071 VanDerWaalsContact O-N 3.08Å; H2071-Q2073 PolarHBondContact O-N 3.22Å |
| 2072 | V | 54 | Low | 52.4 | Low | 12.6667 Ų | 12.6667 | 81 Ų | 81 | 8% | 0.077 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -78.4 | 104.6 | 173.5 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | H1947 F1951 Q1954 F2005 A2068 V2069 R2070 W2074 I2131 | H1947-V2072 HydrophobicContact CB-CG2 4.46Å; F1951-V2072 HydrophobicContact CD1-CG2 3.42Å; F1951-V2072 VanDerWaalsContact CD1-CG2 3.42Å; F1951-V2072 HydrophobicContact CE1-CG2 3.21Å; F1951-V2072 HydrophobicContact CG-CG2 4.42Å; F1951-V2072 HydrophobicContact CZ-CG2 4.06Å; Q1954-V2072 VanDerWaalsContact OE1-CA 3.23Å; F2005-V2072 HydrophobicContact CB-CG1 4.4Å; F2005-V2072 HydrophobicContact CB-CG2 3.95Å; F2005-V2072 WeakPolarHBondContact O-CG2 3.39Å; A2068-V2072 WeakPolarHBondContact O-CG2 3.22Å; A2068-V2072 PolarHBondContact O-N 3.49Å; V2069-V2072 HydrophobicContact CG1-CB 4.37Å; V2069-V2072 HydrophobicContact CG1-CG2 4.48Å; V2069-V2072 CarbonylContact O-C 3.53Å; V2069-V2072 WeakPolarHBondContact O-CB 3.36Å; V2069-V2072 PolarHBondContact O-N 3.2Å; V2069-V2072 VanDerWaalsContact O-N 3.1Å; R2070-V2072 VanDerWaalsContact C-N 3.28Å; V2072-W2074 VanDerWaalsContact C-N 3.34Å; V2072-W2074 HydrophobicContact CB-CZ2 3.98Å; V2072-W2074 HydrophobicContact CG1-CD2 4.1Å; V2072-W2074 VanDerWaalsContact CG1-CE2 3.41Å; V2072-W2074 HydrophobicContact CG1-CE3 3.36Å; V2072-W2074 HydrophobicContact CG1-CG 4.22Å; V2072-W2074 HydrophobicContact CG1-CZ2 3.71Å; V2072-W2074 HydrophobicContact CG1-CZ3 3.8Å; V2072-W2074 VanDerWaalsContact CG1-NE1 3.35Å; V2072-W2074 HydrophobicContact CG2-CZ2 4.24Å; V2072-W2074 PolarHBondContact O-N 3.21Å; V2072-W2074 VanDerWaalsContact O-N 3.16Å; V2072-W2074 PolarHBondContact O-NE1 3.02Å; V2072-I2131 HydrophobicContact CG1-CG2 4.48Å |
| 2073 | Q | 54.7 | Low | 52.8 | Low | 119 Ų | 119 | 76.7 Ų | 76.7 | 56% | 0.556 | 37% | 0.365 | S | S | * | . | trans | -66.4 | 71.6 | 177.2 | -70.9 | -177.7 | -17.1 | 0 | 0 | 110.3 | Y2009 H2071 T2075 Y2132 | Y2009-Q2073 WeakPolarHBondContact CD2-O 3.35Å; Y2009-Q2073 HydrophobicContact CE2-CB 4.13Å; Y2009-Q2073 WeakPolarHBondContact CE2-O 3Å; H2071-Q2073 PolarHBondContact O-N 3.22Å; Q2073-T2075 VanDerWaalsContact C-N 3.28Å; Q2073-T2075 PolarHBondContact O-N 2.89Å; Q2073-Y2132 HydrophobicContact CB-CD2 4.44Å; Q2073-Y2132 HydrophobicContact CB-CG 4.25Å; Q2073-Y2132 VanDerWaalsContact O-CB 3.23Å; Q2073-Y2132 WeakPolarHBondContact O-CB 3.48Å; Q2073-Y2132 PolarHBondContact O-N 2.9Å | ||
| 2074 | W | 59.1 | Low | 52.9 | Low | 47.6667 Ų | 47.6667 | 69.1 Ų | 69.1 | 18% | 0.181 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129.7 | 173.8 | -50.3 | 50.7 | 0 | 0 | 0 | 110.6 | I1946 H1947 Q1954 E1955 K2002 F2005 I2006 Y2009 V2054 L2057 V2069 V2072 I2076 I2131 | I1946-W2074 HydrophobicContact CG2-CH2 4.38Å; H1947-W2074 HydrophobicContact CB-CH2 3.99Å; H1947-W2074 HydrophobicContact CB-CZ2 4.25Å; Q1954-W2074 VanDerWaalsContact C-CE2 3.44Å; Q1954-W2074 VanDerWaalsContact CA-CZ2 3.41Å; Q1954-W2074 VanDerWaalsContact CB-CE2 3.49Å; Q1954-W2074 HydrophobicContact CB-CH2 4.05Å; Q1954-W2074 HydrophobicContact CB-CZ2 3.1Å; Q1954-W2074 HydrophobicContact CG-CH2 3.85Å; Q1954-W2074 HydrophobicContact CG-CZ2 3.4Å; Q1954-W2074 VanDerWaalsContact CG-CZ2 3.4Å; Q1954-W2074 WeakPolarHBondContact O-CZ2 3.36Å; E1955-W2074 VanDerWaalsContact CA-NE1 3.33Å; K2002-W2074 HydrophobicContact CB-CH2 3.78Å; K2002-W2074 HydrophobicContact CB-CZ3 3.72Å; K2002-W2074 HydrophobicContact CD-CH2 4.19Å; K2002-W2074 HydrophobicContact CG-CH2 4.05Å; K2002-W2074 HydrophobicContact CG-CZ3 4.21Å; K2002-W2074 VanDerWaalsContact O-CZ3 3.31Å; K2002-W2074 WeakPolarHBondContact O-CZ3 3.42Å; F2005-W2074 HydrophobicContact CB-CE3 3.88Å; F2005-W2074 HydrophobicContact CB-CZ3 4.49Å; F2005-W2074 AromaticContact CD1-CH2 3.53Å; F2005-W2074 HydrophobicContact CD1-CH2 3.53Å; F2005-W2074 AromaticContact CD1-CZ2 3.76Å; F2005-W2074 HydrophobicContact CD1-CZ2 3.76Å; F2005-W2074 HydrophobicContact CD1-CZ3 4.47Å; F2005-W2074 AromaticContact CE1-CH2 3.22Å; F2005-W2074 HydrophobicContact CE1-CH2 3.22Å; F2005-W2074 AromaticContact CE1-CZ2 3.89Å; F2005-W2074 HydrophobicContact CE1-CZ2 3.89Å; F2005-W2074 HydrophobicContact CE1-CZ3 4.09Å; F2005-W2074 HydrophobicContact CG-CZ2 4.44Å; F2005-W2074 HydrophobicContact CZ-CH2 4.03Å; I2006-W2074 HydrophobicContact CB-CZ3 4.43Å; I2006-W2074 HydrophobicContact CD1-CE3 4.22Å; I2006-W2074 HydrophobicContact CD1-CH2 3.42Å; I2006-W2074 VanDerWaalsContact CD1-CH2 3.42Å; I2006-W2074 HydrophobicContact CD1-CZ2 4.31Å; I2006-W2074 HydrophobicContact CD1-CZ3 3.43Å; I2006-W2074 VanDerWaalsContact CD1-CZ3 3.43Å; I2006-W2074 HydrophobicContact CG1-CD2 4.26Å; I2006-W2074 HydrophobicContact CG1-CE3 3.35Å; I2006-W2074 HydrophobicContact CG1-CH2 3.53Å; I2006-W2074 HydrophobicContact CG1-CZ2 4.33Å; I2006-W2074 HydrophobicContact CG1-CZ3 3.04Å; Y2009-W2074 AromaticContact CD1-CE3 3.95Å; Y2009-W2074 HydrophobicContact CD1-CE3 3.95Å; Y2009-W2074 HydrophobicContact CD1-CZ3 4.47Å; Y2009-W2074 HydrophobicContact CE1-CB 4.07Å; Y2009-W2074 HydrophobicContact CE1-CD2 4.03Å; Y2009-W2074 AromaticContact CE1-CE3 3.42Å; Y2009-W2074 HydrophobicContact CE1-CE3 3.42Å; Y2009-W2074 VanDerWaalsContact CE1-CE3 3.42Å; Y2009-W2074 HydrophobicContact CE1-CG 4.35Å; Y2009-W2074 HydrophobicContact CE1-CZ3 4.12Å; Y2009-W2074 HydrophobicContact CE2-CB 4.08Å; Y2009-W2074 VanDerWaalsContact OH-CB 3.29Å; Y2009-W2074 WeakPolarHBondContact OH-CB 3.28Å; V2054-W2074 HydrophobicContact CG1-CH2 4.31Å; V2054-W2074 HydrophobicContact CG1-CZ3 3.92Å; V2054-W2074 HydrophobicContact CG2-CZ3 4.24Å; L2057-W2074 HydrophobicContact CD1-CH2 4Å; L2057-W2074 HydrophobicContact CD1-CZ2 3.95Å; L2057-W2074 HydrophobicContact CD2-CH2 3.91Å; L2057-W2074 HydrophobicContact CD2-CZ2 3.61Å; L2057-W2074 HydrophobicContact CG-CH2 4.4Å; L2057-W2074 HydrophobicContact CG-CZ2 4.38Å; V2069-W2074 HydrophobicContact CB-CZ2 4.39Å; V2069-W2074 HydrophobicContact CG1-CD2 4.44Å; V2069-W2074 HydrophobicContact CG1-CH2 3.84Å; V2069-W2074 HydrophobicContact CG1-CZ2 3.36Å; V2069-W2074 PolarHBondContact O-NE1 3.25Å; V2072-W2074 VanDerWaalsContact C-N 3.34Å; V2072-W2074 HydrophobicContact CB-CZ2 3.98Å; V2072-W2074 HydrophobicContact CG1-CD2 4.1Å; V2072-W2074 VanDerWaalsContact CG1-CE2 3.41Å; V2072-W2074 HydrophobicContact CG1-CE3 3.36Å; V2072-W2074 HydrophobicContact CG1-CG 4.22Å; V2072-W2074 HydrophobicContact CG1-CZ2 3.71Å; V2072-W2074 HydrophobicContact CG1-CZ3 3.8Å; V2072-W2074 VanDerWaalsContact CG1-NE1 3.35Å; V2072-W2074 HydrophobicContact CG2-CZ2 4.24Å; V2072-W2074 PolarHBondContact O-N 3.21Å; V2072-W2074 VanDerWaalsContact O-N 3.16Å; V2072-W2074 PolarHBondContact O-NE1 3.02Å; W2074-I2076 VanDerWaalsContact C-N 3.35Å; W2074-I2076 PolarHBondContact O-N 3.36Å; W2074-I2131 HydrophobicContact CZ3-CG1 4.38Å |
| 2075 | T | 53.6 | Low | 52.9 | Low | 19.6667 Ų | 19.6667 | 62.6 Ų | 62.6 | 12% | 0.121 | 31% | 0.309 | C | S | . | . | trans | -96 | 122.3 | 167.5 | -5.3 | 0 | 0 | 0 | 0 | 109.4 | F2008 Y2009 Q2073 P2077 R2130 Y2132 W2268 | F2008-T2075 WeakPolarHBondContact CB-OG1 3.18Å; Y2009-T2075 HydrophobicContact CD2-CG2 3.04Å; Y2009-T2075 HydrophobicContact CE2-CG2 3.39Å; Y2009-T2075 HydrophobicContact CG-CG2 3.84Å; Y2009-T2075 PolarHBondContact N-OG1 3.01Å; Q2073-T2075 VanDerWaalsContact C-N 3.28Å; Q2073-T2075 PolarHBondContact O-N 2.89Å; T2075-P2077 WeakPolarHBondContact O-CD 3.3Å; T2075-R2130 PolarHBondContact N-O 3.14Å; T2075-Y2132 VanDerWaalsContact OG1-CA 3.23Å; T2075-Y2132 WeakPolarHBondContact OG1-CA 3.18Å; T2075-Y2132 WeakPolarHBondContact OG1-CD2 3.35Å; T2075-Y2132 WeakPolarHBondContact OG1-CE2 3.21Å; T2075-W2268 HydrophobicContact CG2-CH2 3.91Å; T2075-W2268 HydrophobicContact CG2-CZ3 3.97Å | ||
| 2076 | I | 55.1 | Low | 52.4 | Low | 108.667 Ų | 108.667 | 61 Ų | 61 | 56% | 0.557 | 31% | 0.306 | S | S | * | . | trans | -82.9 | 127 | 159.5 | -58.9 | 171.2 | 0 | 0 | 0 | 105.1 | W2074 N2078 F2128 | W2074-I2076 VanDerWaalsContact C-N 3.35Å; W2074-I2076 PolarHBondContact O-N 3.36Å; I2076-N2078 VanDerWaalsContact C-N 3.29Å; I2076-N2078 PolarHBondContact O-N 2.95Å; I2076-N2078 VanDerWaalsContact O-N 3.13Å; I2076-F2128 HydrophobicContact CG2-CE1 4.31Å; I2076-F2128 HydrophobicContact CG2-CE2 4.27Å; I2076-F2128 HydrophobicContact CG2-CZ 3.6Å | ||
| 2077 | P | 55.2 | Low | 51.9 | Low | 20.6667 Ų | 20.6667 | 63.4 Ų | 63.4 | 13% | 0.134 | 31% | 0.312 | C | S | . | . | trans | -53.6 | 116.1 | 167.5 | 4.6 | -8.1 | 0 | 0 | 0 | 108.5 | L2065 V2069 T2075 Y2079 A2080 G2081 F2128 R2130 V2267 W2268 D2271 | L2065-P2077 HydrophobicContact CD2-CG 3.48Å; L2065-P2077 VanDerWaalsContact CD2-CG 3.48Å; V2069-P2077 HydrophobicContact CG1-CG 4.43Å; T2075-P2077 WeakPolarHBondContact O-CD 3.3Å; P2077-Y2079 VanDerWaalsContact C-N 3.33Å; P2077-Y2079 HydrophobicContact CB-CD1 4.49Å; P2077-Y2079 HydrophobicContact CB-CD2 4.27Å; P2077-Y2079 HydrophobicContact CB-CE1 3.96Å; P2077-Y2079 HydrophobicContact CB-CE2 3.75Å; P2077-Y2079 HydrophobicContact CG-CD2 4.26Å; P2077-Y2079 HydrophobicContact CG-CE1 4.35Å; P2077-Y2079 HydrophobicContact CG-CE2 3.42Å; P2077-Y2079 VanDerWaalsContact CG-CE2 3.42Å; P2077-Y2079 VanDerWaalsContact CG-CZ 3.46Å; P2077-Y2079 WeakPolarHBondContact CG-OH 3.45Å; P2077-Y2079 VanDerWaalsContact O-CD2 3.27Å; P2077-Y2079 WeakPolarHBondContact O-CD2 3.49Å; P2077-Y2079 PolarHBondContact O-N 3.13Å; P2077-A2080 HydrophobicContact CB-CB 3.77Å; P2077-G2081 PolarHBondContact O-N 3.12Å; P2077-F2128 HydrophobicContact CG-CD2 4.4Å; P2077-F2128 HydrophobicContact CG-CE2 3.99Å; P2077-R2130 VanDerWaalsContact CA-O 3.31Å; P2077-R2130 WeakPolarHBondContact CA-O 3.19Å; P2077-V2267 HydrophobicContact CB-CG1 4.01Å; P2077-V2267 HydrophobicContact CG-CG1 3.61Å; P2077-W2268 HydrophobicContact CG-CD2 4.35Å; P2077-W2268 HydrophobicContact CG-CE3 4.09Å; P2077-W2268 HydrophobicContact CG-CH2 4.07Å; P2077-W2268 HydrophobicContact CG-CZ2 4.3Å; P2077-W2268 HydrophobicContact CG-CZ3 3.95Å; P2077-D2271 HydrophobicContact CB-CB 4.01Å | ||
| 2078 | N | 58 | Low | 51.5 | Low | 106.667 Ų | 106.667 | 62.5 Ų | 62.5 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 115 | 177.5 | -76.5 | -25.8 | 0 | 0 | 0 | 108 | I2076 A2080 R2130 Y2132 D2271 | I2076-N2078 VanDerWaalsContact C-N 3.29Å; I2076-N2078 PolarHBondContact O-N 2.95Å; I2076-N2078 VanDerWaalsContact O-N 3.13Å; N2078-A2080 PolarHBondContact O-N 2.95Å; N2078-R2130 PolarHBondContact N-O 3.39Å; N2078-R2130 VanDerWaalsContact O-O 3.07Å; N2078-Y2132 HydrophobicContact CB-CD2 4.36Å; N2078-Y2132 HydrophobicContact CB-CG 4.19Å; N2078-Y2132 WeakPolarHBondContact O-CB 3.14Å; N2078-Y2132 PolarHBondContact O-N 2.89Å; N2078-Y2132 VanDerWaalsContact O-N 3.11Å; N2078-D2271 PolarHBondContact N-OD1 3.29Å |
| 2079 | Y | 58 | Low | 51 | Low | 63 Ų | 63 | 66.1 Ų | 66.1 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 141.4 | 174.8 | -78.9 | -83.9 | 0 | 0 | 0 | 110.3 | F2005 V2054 L2065 P2077 G2081 A2084 F2128 V2267 D2271 A2274 S2275 I2278 | F2005-Y2079 HydrophobicContact CE1-CE1 4.06Å; V2054-Y2079 HydrophobicContact CG1-CE1 3.85Å; V2054-Y2079 HydrophobicContact CG2-CD1 4.02Å; V2054-Y2079 HydrophobicContact CG2-CE1 3.83Å; L2065-Y2079 HydrophobicContact CD1-CE2 4.03Å; L2065-Y2079 HydrophobicContact CD2-CE2 3.97Å; L2065-Y2079 WeakPolarHBondContact CD2-OH 3.01Å; L2065-Y2079 HydrophobicContact CG-CE2 4.02Å; P2077-Y2079 VanDerWaalsContact C-N 3.33Å; P2077-Y2079 HydrophobicContact CB-CD1 4.49Å; P2077-Y2079 HydrophobicContact CB-CD2 4.27Å; P2077-Y2079 HydrophobicContact CB-CE1 3.96Å; P2077-Y2079 HydrophobicContact CB-CE2 3.75Å; P2077-Y2079 HydrophobicContact CG-CD2 4.26Å; P2077-Y2079 HydrophobicContact CG-CE1 4.35Å; P2077-Y2079 HydrophobicContact CG-CE2 3.42Å; P2077-Y2079 VanDerWaalsContact CG-CE2 3.42Å; P2077-Y2079 VanDerWaalsContact CG-CZ 3.46Å; P2077-Y2079 WeakPolarHBondContact CG-OH 3.45Å; P2077-Y2079 VanDerWaalsContact O-CD2 3.27Å; P2077-Y2079 WeakPolarHBondContact O-CD2 3.49Å; P2077-Y2079 PolarHBondContact O-N 3.13Å; Y2079-G2081 VanDerWaalsContact C-N 3.33Å; Y2079-G2081 WeakPolarHBondContact CB-O 3.13Å; Y2079-G2081 PolarHBondContact O-N 3.08Å; Y2079-G2081 VanDerWaalsContact O-N 3.09Å; Y2079-A2084 VanDerWaalsContact CE1-O 3.25Å; Y2079-A2084 WeakPolarHBondContact CE1-O 3.31Å; Y2079-F2128 HydrophobicContact CD1-CD2 4.43Å; Y2079-F2128 HydrophobicContact CD1-CE1 4.36Å; Y2079-F2128 HydrophobicContact CD1-CE2 4.09Å; Y2079-F2128 HydrophobicContact CD1-CZ 4.12Å; Y2079-F2128 HydrophobicContact CD2-CD1 4.06Å; Y2079-F2128 HydrophobicContact CD2-CE1 4.07Å; Y2079-F2128 HydrophobicContact CE1-CD1 4.1Å; Y2079-F2128 HydrophobicContact CE1-CD2 4.05Å; Y2079-F2128 AromaticContact CE1-CE1 3.48Å; Y2079-F2128 HydrophobicContact CE1-CE1 3.48Å; Y2079-F2128 VanDerWaalsContact CE1-CE1 3.48Å; Y2079-F2128 AromaticContact CE1-CE2 3.33Å; Y2079-F2128 HydrophobicContact CE1-CE2 3.33Å; Y2079-F2128 HydrophobicContact CE1-CG 4.41Å; Y2079-F2128 AromaticContact CE1-CZ 3.06Å; Y2079-F2128 HydrophobicContact CE1-CZ 3.06Å; Y2079-F2128 AromaticContact CE2-CD1 3.49Å; Y2079-F2128 HydrophobicContact CE2-CD1 3.49Å; Y2079-F2128 VanDerWaalsContact CE2-CD1 3.49Å; Y2079-F2128 AromaticContact CE2-CE1 3.1Å; Y2079-F2128 HydrophobicContact CE2-CE1 3.1Å; Y2079-F2128 HydrophobicContact CE2-CE2 4.48Å; Y2079-F2128 HydrophobicContact CE2-CG 4.42Å; Y2079-F2128 AromaticContact CE2-CZ 3.69Å; Y2079-F2128 HydrophobicContact CE2-CZ 3.69Å; Y2079-F2128 AromaticContact CZ-CD1 3.62Å; Y2079-F2128 AromaticContact CZ-CE1 2.82Å; Y2079-F2128 AromaticContact CZ-CE2 3.66Å; Y2079-F2128 AromaticContact CZ-CZ 2.87Å; Y2079-F2128 WeakPolarHBondContact OH-CE1 3.3Å; Y2079-F2128 WeakPolarHBondContact OH-CZ 3.26Å; Y2079-V2267 HydrophobicContact CD1-CG1 4.46Å; Y2079-D2271 PolarHBondContact N-OD1 2.83Å; Y2079-A2274 HydrophobicContact CD2-CB 3.68Å; Y2079-A2274 HydrophobicContact CG-CB 3.74Å; Y2079-S2275 WeakPolarHBondContact CE2-OG 3.43Å; Y2079-I2278 HydrophobicContact CD1-CD1 4.17Å; Y2079-I2278 HydrophobicContact CE1-CD1 3.29Å; Y2079-I2278 HydrophobicContact CE2-CD1 3.99Å; Y2079-I2278 WeakPolarHBondContact OH-CD1 3.43Å |
| 2080 | A | 56.6 | Low | 50.4 | Low | 3.33333 Ų | 3.33333 | 71.1 Ų | 71.1 | 3% | 0.028 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 4.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | P2077 N2078 R2082 F2083 A2084 R2130 R2222 V2267 D2271 | P2077-A2080 HydrophobicContact CB-CB 3.77Å; N2078-A2080 PolarHBondContact O-N 2.95Å; A2080-R2082 PolarHBondContact O-N 2.68Å; A2080-R2082 VanDerWaalsContact O-N 3.08Å; A2080-F2083 PolarHBondContact O-N 3.43Å; A2080-F2083 VanDerWaalsContact O-N 3.08Å; A2080-A2084 WeakPolarHBondContact O-CB 3.43Å; A2080-A2084 PolarHBondContact O-N 3.15Å; A2080-R2130 HydrophobicContact CB-CG 4.02Å; A2080-R2130 PolarHBondContact N-O 3.01Å; A2080-R2130 VanDerWaalsContact N-O 3.13Å; A2080-R2222 PolarHBondContact O-NH1 3.5Å; A2080-R2222 PolarHBondContact O-NH2 3.15Å; A2080-V2267 HydrophobicContact CB-CG1 3.48Å; A2080-V2267 VanDerWaalsContact CB-CG1 3.48Å; A2080-D2271 HydrophobicContact CB-CB 4.42Å |
| 2081 | G | 56.6 | Low | 49.6 | Very low | 23.3333 Ų | 23.3333 | 69.5 Ų | 69.5 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -159.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P2077 Y2079 F2083 F2128 D2271 | P2077-G2081 PolarHBondContact O-N 3.12Å; Y2079-G2081 VanDerWaalsContact C-N 3.33Å; Y2079-G2081 WeakPolarHBondContact CB-O 3.13Å; Y2079-G2081 PolarHBondContact O-N 3.08Å; Y2079-G2081 VanDerWaalsContact O-N 3.09Å; G2081-F2083 VanDerWaalsContact C-N 3.25Å; G2081-F2083 PolarHBondContact O-N 3.37Å; G2081-F2128 WeakPolarHBondContact O-CE2 3.35Å; G2081-F2128 WeakPolarHBondContact O-CZ 3.13Å; G2081-D2271 WeakPolarHBondContact CA-OD1 3.37Å; G2081-D2271 WeakPolarHBondContact CA-OD2 3.43Å |
| 2082 | R | 56.7 | Low | 48.7 | Very low | 188.333 Ų | 188.333 | 68.7 Ų | 68.7 | 71% | 0.711 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -17.7 | 176.4 | -66.2 | -171.7 | -174.6 | -169.8 | 0.9 | 114 | A2080 A2084 F2128 D2271 | A2080-R2082 PolarHBondContact O-N 2.68Å; A2080-R2082 VanDerWaalsContact O-N 3.08Å; R2082-A2084 VanDerWaalsContact C-N 3.28Å; R2082-A2084 PolarHBondContact O-N 3.33Å; R2082-F2128 HydrophobicContact CB-CZ 4.31Å; R2082-F2128 HydrophobicContact CG-CE1 4.34Å; R2082-F2128 HydrophobicContact CG-CZ 4.31Å; R2082-D2271 PolarHBondContact N-OD1 3.1Å |
| 2083 | F | 52.4 | Low | 47.7 | Very low | 31.3333 Ų | 31.3333 | 71.7 Ų | 71.7 | 14% | 0.137 | 37% | 0.374 | C | S | . | . | trans | -99.1 | 11.3 | -169.7 | -61.3 | -66.6 | 0 | 0 | 0 | 112.9 | A2080 G2081 G2125 Y2132 R2270 D2271 A2274 I2278 Y2430 V2438 | A2080-F2083 PolarHBondContact O-N 3.43Å; A2080-F2083 VanDerWaalsContact O-N 3.08Å; G2081-F2083 VanDerWaalsContact C-N 3.25Å; G2081-F2083 PolarHBondContact O-N 3.37Å; F2083-G2125 WeakPolarHBondContact O-CA 3.31Å; F2083-Y2132 HydrophobicContact CD2-CE2 4.47Å; F2083-Y2132 HydrophobicContact CE2-CE2 4.05Å; F2083-R2270 PolarHBondContact O-NH2 3.47Å; F2083-D2271 WeakPolarHBondContact CD2-OD1 3.44Å; F2083-D2271 PolarHBondContact N-OD1 3.4Å; F2083-A2274 HydrophobicContact CB-CB 3.27Å; F2083-A2274 HydrophobicContact CD1-CB 4.22Å; F2083-A2274 HydrophobicContact CD2-CB 3.47Å; F2083-A2274 VanDerWaalsContact CD2-CB 3.47Å; F2083-A2274 HydrophobicContact CE2-CB 4.37Å; F2083-A2274 HydrophobicContact CG-CB 3.39Å; F2083-I2278 HydrophobicContact CD1-CD1 4.11Å; F2083-I2278 HydrophobicContact CE1-CD1 3.36Å; F2083-I2278 HydrophobicContact CE2-CD1 3.86Å; F2083-I2278 HydrophobicContact CZ-CD1 3.22Å; F2083-Y2430 VanDerWaalsContact O-CD1 3.29Å; F2083-Y2430 WeakPolarHBondContact O-CD1 3.45Å; F2083-Y2430 VanDerWaalsContact O-CE1 3.24Å; F2083-Y2430 WeakPolarHBondContact O-CE1 3.47Å; F2083-V2438 HydrophobicContact CE1-CG2 3.93Å | ||
| 2084 | A | 48.7 | Very low | 46.5 | Very low | 17.3333 Ų | 17.3333 | 68.8 Ų | 68.8 | 14% | 0.143 | 38% | 0.375 | C | S | . | . | trans | -92.7 | 131.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y2079 A2080 R2082 G2086 Q2121 P2127 F2128 V2267 R2270 D2271 | Y2079-A2084 VanDerWaalsContact CE1-O 3.25Å; Y2079-A2084 WeakPolarHBondContact CE1-O 3.31Å; A2080-A2084 WeakPolarHBondContact O-CB 3.43Å; A2080-A2084 PolarHBondContact O-N 3.15Å; R2082-A2084 VanDerWaalsContact C-N 3.28Å; R2082-A2084 PolarHBondContact O-N 3.33Å; A2084-G2086 PolarHBondContact O-N 2.88Å; A2084-Q2121 PolarHBondContact O-NE2 3.08Å; A2084-Q2121 VanDerWaalsContact O-NE2 3.07Å; A2084-P2127 VanDerWaalsContact CB-O 3.29Å; A2084-P2127 WeakPolarHBondContact CB-O 3.08Å; A2084-F2128 VanDerWaalsContact CB-C 3.47Å; A2084-F2128 HydrophobicContact CB-CB 4.46Å; A2084-F2128 HydrophobicContact CB-CD2 4.13Å; A2084-F2128 HydrophobicContact CB-CE2 4.38Å; A2084-F2128 HydrophobicContact CB-CG 4.21Å; A2084-F2128 WeakPolarHBondContact CB-O 3.18Å; A2084-F2128 WeakPolarHBondContact O-CD2 3.24Å; A2084-F2128 WeakPolarHBondContact O-CE2 3.33Å; A2084-V2267 VanDerWaalsContact CA-CG2 3.45Å; A2084-V2267 HydrophobicContact CB-CB 4.25Å; A2084-V2267 HydrophobicContact CB-CG1 3.44Å; A2084-V2267 VanDerWaalsContact CB-CG1 3.44Å; A2084-V2267 HydrophobicContact CB-CG2 3.67Å; A2084-V2267 WeakPolarHBondContact CB-O 3.39Å; A2084-R2270 HydrophobicContact CB-CB 3.7Å; A2084-D2271 HydrophobicContact CB-CB 4.31Å | ||
| 2085 | G | 44.9 | Very low | 45.1 | Very low | 17 Ų | 17 | 73.4 Ų | 73.4 | 18% | 0.175 | 40% | 0.403 | C | S | . | . | trans | -83.6 | 135.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G2126 F2128 R2270 | G2085-G2126 PolarHBondContact N-O 3.38Å; G2085-F2128 VanDerWaalsContact O-CD2 3.3Å; G2085-F2128 WeakPolarHBondContact O-CD2 3.12Å; G2085-R2270 PolarHBondContact O-NH2 3.24Å | ||
| 2086 | G | 40.3 | Very low | 43.9 | Very low | 21 Ų | 21 | 80.6 Ų | 80.6 | 22% | 0.216 | 43% | 0.434 | C | S | . | . | trans | -120.5 | 159.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A2084 D2088 F2128 | A2084-G2086 PolarHBondContact O-N 2.88Å; G2086-D2088 PolarHBondContact O-N 3.4Å; G2086-F2128 WeakPolarHBondContact O-CZ 3.34Å | ||
| 2087 | R | 37.3 | Very low | 42.7 | Very low | 133.667 Ų | 133.667 | 84 Ų | 84 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | trans | -51.9 | 125.8 | 170.3 | -71.8 | -176.9 | -179.3 | -178.1 | -0.2 | 109.9 | D2089 D2522 N2526 | R2087-D2089 WeakPolarHBondContact CD-OD1 3.46Å; R2087-D2089 PolarHBondContact O-N 2.7Å; R2087-D2522 PolarHBondContact NH2-O 3.36Å; R2087-N2526 HydrophobicContact CG-CB 3.85Å | ||
| 2088 | D | 39.5 | Very low | 41.4 | Very low | 59 Ų | 59 | 88.3 Ų | 88.3 | 32% | 0.316 | 47% | 0.47 | S | S | . | . | trans | -74.3 | 111.4 | 153.1 | -83 | -12.3 | 0 | 0 | 0 | 105.6 | G2086 D2090 D2091 K2120 S2122 | G2086-D2088 PolarHBondContact O-N 3.4Å; D2088-D2090 PolarHBondContact O-N 3.06Å; D2088-D2090 VanDerWaalsContact O-N 3.1Å; D2088-D2091 PolarHBondContact O-N 3.16Å; D2088-K2120 IonicContact OD2-NZ 3.65Å; D2088-K2120 PolarHBondContact OD2-NZ 2.86Å; D2088-S2122 PolarHBondContact OD1-OG 3.15Å | ||
| 2089 | D | 38 | Very low | 40.1 | Very low | 101.667 Ų | 101.667 | 93.1 Ų | 93.1 | 54% | 0.544 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -63.8 | -3.4 | 171.7 | -74.3 | -33.5 | 0 | 0 | 0 | 112 | R2087 D2091 I2092 | R2087-D2089 WeakPolarHBondContact CD-OD1 3.46Å; R2087-D2089 PolarHBondContact O-N 2.7Å; D2089-D2091 PolarHBondContact O-N 3.46Å; D2089-I2092 HydrophobicContact CB-CD1 4.2Å; D2089-I2092 WeakPolarHBondContact O-CB 3.47Å; D2089-I2092 VanDerWaalsContact O-CD1 3.3Å; D2089-I2092 WeakPolarHBondContact O-CD1 3.43Å; D2089-I2092 WeakPolarHBondContact O-CG1 3.49Å; D2089-I2092 PolarHBondContact O-N 3.39Å; D2089-I2092 VanDerWaalsContact O-N 3.1Å |
| 2090 | D | 37.8 | Very low | 38.6 | Very low | 112.333 Ų | 112.333 | 95.6 Ų | 95.6 | 60% | 0.601 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -75.7 | -14 | 177.5 | -67.1 | -20.2 | 0 | 0 | 0 | 113.5 | D2088 I2092 A2093 G2094 K2120 | D2088-D2090 PolarHBondContact O-N 3.06Å; D2088-D2090 VanDerWaalsContact O-N 3.1Å; D2090-I2092 PolarHBondContact O-N 3.16Å; D2090-A2093 WeakPolarHBondContact O-CB 3.44Å; D2090-A2093 PolarHBondContact O-N 3.3Å; D2090-G2094 PolarHBondContact O-N 2.95Å; D2090-K2120 IonicContact OD1-NZ 3.91Å; D2090-K2120 PolarHBondContact OD1-NZ 3.16Å |
| 2091 | D | 33.5 | Very low | 37.3 | Very low | 137 Ų | 137 | 103.5 Ų | 103.5 | 73% | 0.733 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -72.2 | -11.5 | 171.6 | -80 | -13.5 | 0 | 0 | 0 | 112.5 | D2088 D2089 A2093 | D2088-D2091 PolarHBondContact O-N 3.16Å; D2089-D2091 PolarHBondContact O-N 3.46Å; D2091-A2093 PolarHBondContact O-N 3.25Å |
| 2092 | I | 32.8 | Very low | 36 | Very low | 100.333 Ų | 100.333 | 110 Ų | 110 | 52% | 0.515 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -76.6 | 4.5 | 172.2 | -59 | 174.2 | 0 | 0 | 0 | 109.9 | D2089 D2090 G2094 F2096 | D2089-I2092 HydrophobicContact CB-CD1 4.2Å; D2089-I2092 WeakPolarHBondContact O-CB 3.47Å; D2089-I2092 VanDerWaalsContact O-CD1 3.3Å; D2089-I2092 WeakPolarHBondContact O-CD1 3.43Å; D2089-I2092 WeakPolarHBondContact O-CG1 3.49Å; D2089-I2092 PolarHBondContact O-N 3.39Å; D2089-I2092 VanDerWaalsContact O-N 3.1Å; D2090-I2092 PolarHBondContact O-N 3.16Å; I2092-G2094 VanDerWaalsContact C-N 3.26Å; I2092-G2094 PolarHBondContact O-N 3.4Å; I2092-G2094 VanDerWaalsContact O-N 3.16Å; I2092-F2096 HydrophobicContact CG2-CD2 4Å; I2092-F2096 HydrophobicContact CG2-CE2 3.61Å; I2092-F2096 VanDerWaalsContact O-CD2 3.23Å; I2092-F2096 WeakPolarHBondContact O-CD2 3.44Å |
| 2093 | A | 33 | Very low | 34.8 | Very low | 75 Ų | 75 | 108.1 Ų | 108.1 | 62% | 0.62 | 58% | 0.576 | S | S | * | * | trans | -42.5 | 6.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114 | D2090 D2091 D2095 | D2090-A2093 WeakPolarHBondContact O-CB 3.44Å; D2090-A2093 PolarHBondContact O-N 3.3Å; D2091-A2093 PolarHBondContact O-N 3.25Å; A2093-D2095 VanDerWaalsContact C-N 3.31Å; A2093-D2095 PolarHBondContact O-N 3.31Å | ||
| 2094 | G | 29.3 | Very low | 33.7 | Very low | 57 Ų | 57 | 114.7 Ų | 114.7 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | trans | -65.6 | -3.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D2090 I2092 F2096 | D2090-G2094 PolarHBondContact O-N 2.95Å; I2092-G2094 VanDerWaalsContact C-N 3.26Å; I2092-G2094 PolarHBondContact O-N 3.4Å; I2092-G2094 VanDerWaalsContact O-N 3.16Å; G2094-F2096 WeakPolarHBondContact O-CD2 3.49Å; G2094-F2096 PolarHBondContact O-N 3.12Å | ||
| 2095 | D | 28.8 | Very low | 32.9 | Very low | 144.333 Ų | 144.333 | 118.1 Ų | 118.1 | 77% | 0.772 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 23.8 | -179 | -90.2 | -22.7 | 0 | 0 | 0 | 112.9 | A2093 K2097 | A2093-D2095 VanDerWaalsContact C-N 3.31Å; A2093-D2095 PolarHBondContact O-N 3.31Å; D2095-K2097 PolarHBondContact O-N 3.29Å |
| 2096 | F | 30 | Very low | 32.1 | Very low | 171.667 Ų | 171.667 | 124.3 Ų | 124.3 | 75% | 0.753 | 67% | 0.665 | S | S | * | * | trans | -85.1 | 48.3 | 170.3 | -77.6 | -78.2 | 0 | 0 | 0 | 111.4 | I2092 G2094 T2098 | I2092-F2096 HydrophobicContact CG2-CD2 4Å; I2092-F2096 HydrophobicContact CG2-CE2 3.61Å; I2092-F2096 VanDerWaalsContact O-CD2 3.23Å; I2092-F2096 WeakPolarHBondContact O-CD2 3.44Å; G2094-F2096 WeakPolarHBondContact O-CD2 3.49Å; G2094-F2096 PolarHBondContact O-N 3.12Å; F2096-T2098 VanDerWaalsContact C-N 3.29Å; F2096-T2098 PolarHBondContact O-N 3.36Å | ||
| 2097 | K | 29.2 | Very low | 31.8 | Very low | 180.667 Ų | 180.667 | 131 Ų | 131 | 79% | 0.786 | 69% | 0.69 | S | S | * | * | trans | -77.9 | 74.4 | 164.1 | -87 | -176.9 | 178.6 | 170.9 | 0 | 110.8 | D2095 | D2095-K2097 PolarHBondContact O-N 3.29Š| ||
| 2098 | T | 28.6 | Very low | 31.5 | Very low | 109.667 Ų | 109.667 | 130.5 Ų | 130.5 | 67% | 0.673 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -162.2 | 76.7 | 172.6 | 41.9 | 0 | 0 | 0 | 0 | 114.3 | F2096 | F2096-T2098 VanDerWaalsContact C-N 3.29Å; F2096-T2098 PolarHBondContact O-N 3.36Å |
| 2099 | Y | 29.5 | Very low | 31.2 | Very low | 208.667 Ų | 208.667 | 134.9 Ų | 134.9 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | -179.6 | 77.4 | 147.2 | -70.9 | -77.6 | 0 | 0 | 0 | 112 | E2101 | Y2099-E2101 VanDerWaalsContact C-N 3.29Å; Y2099-E2101 PolarHBondContact O-N 3.19Å; Y2099-E2101 VanDerWaalsContact O-N 3.11Å | ||
| 2100 | S | 26.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | trans | -68.5 | 110.4 | 151.5 | 51.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 2101 | E | 29.1 | Very low | 30.5 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | -128.1 | 119.1 | 162.2 | -74.2 | -177.6 | 172.4 | 0 | 0 | 111.1 | Y2099 I2103 | Y2099-E2101 VanDerWaalsContact C-N 3.29Å; Y2099-E2101 PolarHBondContact O-N 3.19Å; Y2099-E2101 VanDerWaalsContact O-N 3.11Å; E2101-I2103 PolarHBondContact O-N 3.18Å; E2101-I2103 VanDerWaalsContact O-N 3.16Å | ||
| 2102 | D | 29.2 | Very low | 30.2 | Very low | 159.667 Ų | 159.667 | 136.7 Ų | 136.7 | 85% | 0.854 | 73% | 0.728 | S | S | * | * | trans | -22.7 | 87.3 | 168.7 | -66 | -39 | 0 | 0 | 0 | 115.9 | ||||
| 2103 | I | 31.2 | Very low | 30.1 | Very low | 148 Ų | 148 | 137 Ų | 137 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -129.8 | 92.5 | 157 | -54.7 | -179.4 | 0 | 0 | 0 | 109.7 | E2101 S2105 | E2101-I2103 PolarHBondContact O-N 3.18Å; E2101-I2103 VanDerWaalsContact O-N 3.16Å; I2103-S2105 WeakPolarHBondContact CG2-OG 3.28Å; I2103-S2105 PolarHBondContact O-N 3.11Å | ||
| 2104 | N | 29.5 | Very low | 30 | Very low | 170.667 Ų | 170.667 | 138.2 Ų | 138.2 | 91% | 0.913 | 73% | 0.73 | S | S | * | * | trans | -50.7 | 87.3 | 160.1 | -104 | -21.2 | 0 | 0 | 0 | 110.8 | ||||
| 2105 | S | 31.6 | Very low | 30.2 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | trans | -131.4 | 115.7 | 162.2 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | I2103 H2107 | I2103-S2105 WeakPolarHBondContact CG2-OG 3.28Å; I2103-S2105 PolarHBondContact O-N 3.11Å; S2105-H2107 PolarHBondContact O-N 2.94Å | ||
| 2106 | N | 30 | Very low | 30.6 | Very low | 147.333 Ų | 147.333 | 138.2 Ų | 138.2 | 79% | 0.788 | 72% | 0.721 | S | S | * | * | trans | -56.4 | 104 | 173 | -76.7 | -38.6 | 0 | 0 | 0 | 111.3 | N2108 | N2106-N2108 PolarHBondContact O-N 3.37Š| ||
| 2107 | H | 32.2 | Very low | 31 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 69.2 | 162.3 | -82.3 | -61.8 | 0 | 0 | 0 | 114 | S2105 | S2105-H2107 PolarHBondContact O-N 2.94Š|
| 2108 | N | 31 | Very low | 31.5 | Very low | 122.667 Ų | 122.667 | 129.3 Ų | 129.3 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | trans | -140.2 | 47.5 | 160.7 | -73.5 | -9.2 | 0 | 0 | 0 | 115.3 | N2106 C2110 D2111 K2112 | N2106-N2108 PolarHBondContact O-N 3.37Å; N2108-C2110 PolarHBondContact O-N 3.39Å; N2108-D2111 HydrophobicContact CB-CB 4.42Å; N2108-D2111 PolarHBondContact O-N 3.15Å; N2108-K2112 HydrophobicContact CB-CD 4.45Å; N2108-K2112 HydrophobicContact CB-CG 4.22Å; N2108-K2112 WeakPolarHBondContact O-CB 3.14Å; N2108-K2112 WeakPolarHBondContact O-CG 3.46Å; N2108-K2112 PolarHBondContact O-N 3.29Å | ||
| 2109 | L | 33.3 | Very low | 32.3 | Very low | 152 Ų | 152 | 125.5 Ų | 125.5 | 80% | 0.796 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 7.7 | 170.5 | -127.6 | 83.4 | 0 | 0 | 0 | 111.9 | D2111 T2113 | L2109-D2111 VanDerWaalsContact C-N 3.29Å; L2109-T2113 PolarHBondContact O-OG1 3.06Å |
| 2110 | C | 32.1 | Very low | 33.2 | Very low | 100.333 Ų | 100.333 | 121.1 Ų | 121.1 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -22.3 | 166.1 | -130.8 | 0 | 0 | 0 | 0 | 114 | N2108 T2113 | N2108-C2110 PolarHBondContact O-N 3.39Å; C2110-T2113 PolarHBondContact O-OG1 3.15Å |
| 2111 | D | 29.7 | Very low | 34.3 | Very low | 106 Ų | 106 | 118.1 Ų | 118.1 | 57% | 0.567 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -93.6 | -16.4 | -173.9 | -75.1 | -20.8 | 0 | 0 | 0 | 115 | N2108 L2109 T2113 L2114 N2118 | N2108-D2111 HydrophobicContact CB-CB 4.42Å; N2108-D2111 PolarHBondContact O-N 3.15Å; L2109-D2111 VanDerWaalsContact C-N 3.29Å; D2111-T2113 PolarHBondContact O-N 3.38Å; D2111-L2114 PolarHBondContact O-N 3.41Å; D2111-N2118 PolarHBondContact OD1-ND2 3.29Å |
| 2112 | K | 28.4 | Very low | 35.3 | Very low | 181.667 Ų | 181.667 | 112.5 Ų | 112.5 | 79% | 0.79 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -79.8 | -16.3 | -179.7 | -82.3 | -175 | 177.9 | 178.6 | 0 | 114.6 | N2108 | N2108-K2112 HydrophobicContact CB-CD 4.45Å; N2108-K2112 HydrophobicContact CB-CG 4.22Å; N2108-K2112 WeakPolarHBondContact O-CB 3.14Å; N2108-K2112 WeakPolarHBondContact O-CG 3.46Å; N2108-K2112 PolarHBondContact O-N 3.29Å |
| 2113 | T | 30.2 | Very low | 36.5 | Very low | 106 Ų | 106 | 109.1 Ų | 109.1 | 65% | 0.65 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -83.9 | -16.6 | 178.2 | 37.8 | 0 | 0 | 0 | 0 | 114 | L2109 C2110 D2111 L2115 S2116 | L2109-T2113 PolarHBondContact O-OG1 3.06Å; C2110-T2113 PolarHBondContact O-OG1 3.15Å; D2111-T2113 PolarHBondContact O-N 3.38Å; T2113-L2115 PolarHBondContact O-N 3.3Å; T2113-S2116 PolarHBondContact O-N 3.47Å; T2113-S2116 PolarHBondContact O-OG 3.24Å |
| 2114 | L | 30.7 | Very low | 37.7 | Very low | 100.667 Ų | 100.667 | 102.3 Ų | 102.3 | 53% | 0.527 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -88.8 | 10.9 | 177.3 | -93.8 | 135.4 | 0 | 0 | 0 | 113.1 | D2111 S2116 | D2111-L2114 PolarHBondContact O-N 3.41Å; L2114-S2116 VanDerWaalsContact C-N 3.31Å; L2114-S2116 PolarHBondContact O-N 2.98Å |
| 2115 | L | 32.3 | Very low | 39 | Very low | 134.667 Ų | 134.667 | 94.2 Ų | 94.2 | 71% | 0.705 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 29.2 | 173.3 | -84.1 | 155.2 | 0 | 0 | 0 | 113.9 | T2113 T2117 T2251 | T2113-L2115 PolarHBondContact O-N 3.3Å; L2115-T2117 WeakPolarHBondContact O-CG2 3.37Å; L2115-T2117 PolarHBondContact O-N 2.98Å; L2115-T2117 VanDerWaalsContact O-N 3.11Å; L2115-T2117 PolarHBondContact O-OG1 3.08Å; L2115-T2251 HydrophobicContact CD1-CG2 4.18Å |
| 2116 | S | 37.2 | Very low | 40.4 | Very low | 67 Ų | 67 | 90.3 Ų | 90.3 | 47% | 0.469 | 49% | 0.485 | S | S | . | . | trans | -45.9 | 72.1 | 169.2 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | T2113 L2114 N2118 D2171 | T2113-S2116 PolarHBondContact O-N 3.47Å; T2113-S2116 PolarHBondContact O-OG 3.24Å; L2114-S2116 VanDerWaalsContact C-N 3.31Å; L2114-S2116 PolarHBondContact O-N 2.98Å; S2116-N2118 PolarHBondContact O-N 2.94Å; S2116-N2118 VanDerWaalsContact O-N 3.12Å; S2116-D2171 WeakPolarHBondContact CB-OD2 3.41Å; S2116-D2171 PolarHBondContact OG-OD2 3.38Å | ||
| 2117 | T | 38.5 | Very low | 41.8 | Very low | 86.3333 Ų | 86.3333 | 85 Ų | 85 | 53% | 0.53 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -72.8 | -17.1 | 171.2 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | L2115 V2119 L2269 | L2115-T2117 WeakPolarHBondContact O-CG2 3.37Å; L2115-T2117 PolarHBondContact O-N 2.98Å; L2115-T2117 VanDerWaalsContact O-N 3.11Å; L2115-T2117 PolarHBondContact O-OG1 3.08Å; T2117-V2119 PolarHBondContact O-N 3.09Å; T2117-L2269 WeakPolarHBondContact O-CD1 2.96Å |
| 2118 | N | 40.4 | Very low | 42.9 | Very low | 79.6667 Ų | 79.6667 | 80 Ų | 80 | 43% | 0.426 | 44% | 0.435 | S | S | . | . | trans | -85 | 79.7 | 174.8 | -68.2 | -7.8 | 0 | 0 | 0 | 110.1 | D2111 S2116 K2120 N2264 | D2111-N2118 PolarHBondContact OD1-ND2 3.29Å; S2116-N2118 PolarHBondContact O-N 2.94Å; S2116-N2118 VanDerWaalsContact O-N 3.12Å; N2118-K2120 PolarHBondContact O-N 3.3Å; N2118-K2120 VanDerWaalsContact O-N 3.13Å; N2118-N2264 PolarHBondContact OD1-ND2 2.99Å | ||
| 2119 | V | 45.4 | Very low | 44.3 | Very low | 29.6667 Ų | 29.6667 | 77.4 Ų | 77.4 | 18% | 0.18 | 42% | 0.419 | C | S | . | . | trans | -70.2 | 120.7 | 162.4 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | T2117 Q2121 L2123 A2124 P2212 V2214 S2266 | T2117-V2119 PolarHBondContact O-N 3.09Å; V2119-Q2121 PolarHBondContact O-N 3.02Å; V2119-L2123 HydrophobicContact CG1-CB 3.83Å; V2119-L2123 VanDerWaalsContact CG1-O 3.25Å; V2119-L2123 WeakPolarHBondContact CG1-O 3.29Å; V2119-A2124 HydrophobicContact CB-CB 3.55Å; V2119-A2124 VanDerWaalsContact CG1-CA 3.49Å; V2119-A2124 HydrophobicContact CG1-CB 3.55Å; V2119-P2212 HydrophobicContact CG2-CB 3.8Å; V2119-P2212 HydrophobicContact CG2-CG 3.88Å; V2119-V2214 HydrophobicContact CB-CG1 3.9Å; V2119-V2214 HydrophobicContact CG1-CG1 3.24Å; V2119-V2214 HydrophobicContact CG2-CG1 3.33Å; V2119-S2266 VanDerWaalsContact O-CB 3.28Å; V2119-S2266 WeakPolarHBondContact O-CB 2.8Å; V2119-S2266 PolarHBondContact O-OG 3.37Å | ||
| 2120 | K | 48.4 | Very low | 45.9 | Very low | 116.333 Ų | 116.333 | 70.2 Ų | 70.2 | 51% | 0.506 | 38% | 0.381 | S | S | . | . | trans | -45.9 | 133 | 173.2 | -74.2 | -167.2 | 170 | -161 | 0 | 109.3 | D2088 D2090 N2118 S2122 L2123 A2124 | D2088-K2120 IonicContact OD2-NZ 3.65Å; D2088-K2120 PolarHBondContact OD2-NZ 2.86Å; D2090-K2120 IonicContact OD1-NZ 3.91Å; D2090-K2120 PolarHBondContact OD1-NZ 3.16Å; N2118-K2120 PolarHBondContact O-N 3.3Å; N2118-K2120 VanDerWaalsContact O-N 3.13Å; K2120-S2122 PolarHBondContact O-N 3.2Å; K2120-S2122 VanDerWaalsContact O-N 3.16Å; K2120-L2123 HydrophobicContact CB-CB 4.44Å; K2120-L2123 HydrophobicContact CB-CD1 4.21Å; K2120-L2123 HydrophobicContact CB-CG 4.4Å; K2120-L2123 CarbonylContact O-C 3.55Å; K2120-L2123 WeakPolarHBondContact O-CA 3.43Å; K2120-L2123 WeakPolarHBondContact O-CB 3.21Å; K2120-L2123 PolarHBondContact O-N 2.9Å; K2120-A2124 WeakPolarHBondContact O-CB 3.31Å; K2120-A2124 PolarHBondContact O-N 3.23Å | ||
| 2121 | Q | 50 | Low | 47.7 | Very low | 50.6667 Ų | 50.6667 | 65.7 Ų | 65.7 | 24% | 0.237 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.2 | -31.9 | -174.3 | -147.1 | 154.5 | 2.6 | 0 | 0 | 112.1 | A2084 V2119 L2123 A2124 G2125 G2126 V2267 | A2084-Q2121 PolarHBondContact O-NE2 3.08Å; A2084-Q2121 VanDerWaalsContact O-NE2 3.07Å; V2119-Q2121 PolarHBondContact O-N 3.02Å; Q2121-L2123 PolarHBondContact O-N 3.36Å; Q2121-L2123 VanDerWaalsContact O-N 3.17Å; Q2121-A2124 PolarHBondContact O-N 3.3Å; Q2121-G2125 WeakPolarHBondContact O-CA 3.41Å; Q2121-G2125 PolarHBondContact O-N 3.21Å; Q2121-G2126 CarbonylContact C-O 3.48Å; Q2121-G2126 PolarHBondContact O-N 2.83Å; Q2121-G2126 VanDerWaalsContact O-O 3.05Å; Q2121-V2267 HydrophobicContact CB-CG2 4.33Å; Q2121-V2267 HydrophobicContact CG-CB 4.25Å; Q2121-V2267 HydrophobicContact CG-CG2 4.1Å |
| 2122 | S | 50.2 | Low | 49.7 | Very low | 53.3333 Ų | 53.3333 | 63 Ų | 63 | 37% | 0.373 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.3 | -22.8 | 172.1 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | D2088 K2120 G2126 | D2088-S2122 PolarHBondContact OD1-OG 3.15Å; K2120-S2122 PolarHBondContact O-N 3.2Å; K2120-S2122 VanDerWaalsContact O-N 3.16Å; S2122-G2126 WeakPolarHBondContact O-CA 2.99Å; S2122-G2126 PolarHBondContact O-N 3.44Å |
| 2123 | L | 54.7 | Low | 52.1 | Low | 88.6667 Ų | 88.6667 | 54.5 Ų | 54.5 | 46% | 0.464 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -101.2 | -15.3 | 178.8 | -65.1 | 171.7 | 0 | 0 | 0 | 114 | V2119 K2120 Q2121 G2125 G2126 H2215 | V2119-L2123 HydrophobicContact CG1-CB 3.83Å; V2119-L2123 VanDerWaalsContact CG1-O 3.25Å; V2119-L2123 WeakPolarHBondContact CG1-O 3.29Å; K2120-L2123 HydrophobicContact CB-CB 4.44Å; K2120-L2123 HydrophobicContact CB-CD1 4.21Å; K2120-L2123 HydrophobicContact CB-CG 4.4Å; K2120-L2123 CarbonylContact O-C 3.55Å; K2120-L2123 WeakPolarHBondContact O-CA 3.43Å; K2120-L2123 WeakPolarHBondContact O-CB 3.21Å; K2120-L2123 PolarHBondContact O-N 2.9Å; Q2121-L2123 PolarHBondContact O-N 3.36Å; Q2121-L2123 VanDerWaalsContact O-N 3.17Å; L2123-G2125 VanDerWaalsContact C-N 3.25Å; L2123-G2125 PolarHBondContact O-N 3.03Å; L2123-G2126 PolarHBondContact O-N 2.88Å; L2123-H2215 VanDerWaalsContact C-CD2 3.42Å; L2123-H2215 PolarHBondContact O-CD2 3.17Å; L2123-H2215 PolarHBondContact O-NE2 3.46Å |
| 2124 | A | 56.7 | Low | 54.7 | Low | 3.66667 Ų | 3.66667 | 49.6 Ų | 49.6 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -81 | -6.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V2119 K2120 Q2121 V2214 V2218 S2266 W2268 | V2119-A2124 HydrophobicContact CB-CB 3.55Å; V2119-A2124 VanDerWaalsContact CG1-CA 3.49Å; V2119-A2124 HydrophobicContact CG1-CB 3.55Å; K2120-A2124 WeakPolarHBondContact O-CB 3.31Å; K2120-A2124 PolarHBondContact O-N 3.23Å; Q2121-A2124 PolarHBondContact O-N 3.3Å; A2124-V2214 HydrophobicContact CB-CG1 3.67Å; A2124-V2218 HydrophobicContact CB-CG2 4.01Å; A2124-V2218 WeakPolarHBondContact O-CB 3.13Å; A2124-V2218 WeakPolarHBondContact O-CG1 3.03Å; A2124-V2218 VanDerWaalsContact O-CG2 3.27Å; A2124-V2218 WeakPolarHBondContact O-CG2 3.04Å; A2124-S2266 PolarHBondContact O-OG 2.93Å; A2124-W2268 VanDerWaalsContact CB-CD1 3.47Å; A2124-W2268 VanDerWaalsContact CB-NE1 3.26Å; A2124-W2268 WeakPolarHBondContact O-CB 3.5Å |
| 2125 | G | 56.1 | Low | 57.3 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -153.4 | 0.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F2083 Q2121 L2123 R2130 H2215 W2268 | F2083-G2125 WeakPolarHBondContact O-CA 3.31Å; Q2121-G2125 WeakPolarHBondContact O-CA 3.41Å; Q2121-G2125 PolarHBondContact O-N 3.21Å; L2123-G2125 VanDerWaalsContact C-N 3.25Å; L2123-G2125 PolarHBondContact O-N 3.03Å; G2125-R2130 VanDerWaalsContact C-NH2 3.32Å; G2125-R2130 WeakPolarHBondContact O-CD 3.42Å; G2125-R2130 PolarHBondContact O-NE 3.22Å; G2125-R2130 PolarHBondContact O-NH1 3.11Å; G2125-R2130 VanDerWaalsContact O-NH1 3.12Å; G2125-R2130 PolarHBondContact O-NH2 3.48Å; G2125-H2215 PolarHBondContact N-ND1 3.02Å; G2125-W2268 PolarHBondContact O-NE1 3.22Å |
| 2126 | G | 60.5 | Low | 59.7 | Low | 5.33333 Ų | 5.33333 | 39.2 Ų | 39.2 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | trans | 71.5 | -169.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G2085 Q2121 S2122 L2123 W2268 | G2085-G2126 PolarHBondContact N-O 3.38Å; Q2121-G2126 CarbonylContact C-O 3.48Å; Q2121-G2126 PolarHBondContact O-N 2.83Å; Q2121-G2126 VanDerWaalsContact O-O 3.05Å; S2122-G2126 WeakPolarHBondContact O-CA 2.99Å; S2122-G2126 PolarHBondContact O-N 3.44Å; L2123-G2126 PolarHBondContact O-N 2.88Å; G2126-W2268 PolarHBondContact O-NE1 2.66Å | ||
| 2127 | P | 59 | Low | 61.8 | Low | 35.3333 Ų | 35.3333 | 38.5 Ų | 38.5 | 23% | 0.229 | 20% | 0.198 | C | C | . | . | trans | -65.8 | 154.2 | -177.1 | 26.4 | -32.2 | 0 | 0 | 0 | 112.3 | S2053 V2054 A2084 H2129 R2130 W2268 | S2053-P2127 VanDerWaalsContact CB-CG 3.44Å; S2053-P2127 WeakPolarHBondContact O-CG 3.46Å; V2054-P2127 HydrophobicContact CG2-CG 4.16Å; A2084-P2127 VanDerWaalsContact CB-O 3.29Å; A2084-P2127 WeakPolarHBondContact CB-O 3.08Å; P2127-H2129 CarbonylContact O-C 3.55Å; P2127-H2129 PolarHBondContact O-N 3.31Å; P2127-R2130 HydrophobicContact CG-CB 4.27Å; P2127-R2130 PolarHBondContact O-N 2.91Å; P2127-W2268 WeakPolarHBondContact O-CZ2 3.24Å | ||
| 2128 | F | 56.8 | Low | 64.1 | Low | 59.3333 Ų | 59.3333 | 34.5 Ų | 34.5 | 26% | 0.26 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -55 | -46.2 | -173.1 | -165.3 | -107.3 | 0 | 0 | 0 | 113.6 | I2076 P2077 Y2079 G2081 R2082 A2084 G2085 G2086 V2267 | I2076-F2128 HydrophobicContact CG2-CE1 4.31Å; I2076-F2128 HydrophobicContact CG2-CE2 4.27Å; I2076-F2128 HydrophobicContact CG2-CZ 3.6Å; P2077-F2128 HydrophobicContact CG-CD2 4.4Å; P2077-F2128 HydrophobicContact CG-CE2 3.99Å; Y2079-F2128 HydrophobicContact CD1-CD2 4.43Å; Y2079-F2128 HydrophobicContact CD1-CE1 4.36Å; Y2079-F2128 HydrophobicContact CD1-CE2 4.09Å; Y2079-F2128 HydrophobicContact CD1-CZ 4.12Å; Y2079-F2128 HydrophobicContact CD2-CD1 4.06Å; Y2079-F2128 HydrophobicContact CD2-CE1 4.07Å; Y2079-F2128 HydrophobicContact CE1-CD1 4.1Å; Y2079-F2128 HydrophobicContact CE1-CD2 4.05Å; Y2079-F2128 AromaticContact CE1-CE1 3.48Å; Y2079-F2128 HydrophobicContact CE1-CE1 3.48Å; Y2079-F2128 VanDerWaalsContact CE1-CE1 3.48Å; Y2079-F2128 AromaticContact CE1-CE2 3.33Å; Y2079-F2128 HydrophobicContact CE1-CE2 3.33Å; Y2079-F2128 HydrophobicContact CE1-CG 4.41Å; Y2079-F2128 AromaticContact CE1-CZ 3.06Å; Y2079-F2128 HydrophobicContact CE1-CZ 3.06Å; Y2079-F2128 AromaticContact CE2-CD1 3.49Å; Y2079-F2128 HydrophobicContact CE2-CD1 3.49Å; Y2079-F2128 VanDerWaalsContact CE2-CD1 3.49Å; Y2079-F2128 AromaticContact CE2-CE1 3.1Å; Y2079-F2128 HydrophobicContact CE2-CE1 3.1Å; Y2079-F2128 HydrophobicContact CE2-CE2 4.48Å; Y2079-F2128 HydrophobicContact CE2-CG 4.42Å; Y2079-F2128 AromaticContact CE2-CZ 3.69Å; Y2079-F2128 HydrophobicContact CE2-CZ 3.69Å; Y2079-F2128 AromaticContact CZ-CD1 3.62Å; Y2079-F2128 AromaticContact CZ-CE1 2.82Å; Y2079-F2128 AromaticContact CZ-CE2 3.66Å; Y2079-F2128 AromaticContact CZ-CZ 2.87Å; Y2079-F2128 WeakPolarHBondContact OH-CE1 3.3Å; Y2079-F2128 WeakPolarHBondContact OH-CZ 3.26Å; G2081-F2128 WeakPolarHBondContact O-CE2 3.35Å; G2081-F2128 WeakPolarHBondContact O-CZ 3.13Å; R2082-F2128 HydrophobicContact CB-CZ 4.31Å; R2082-F2128 HydrophobicContact CG-CE1 4.34Å; R2082-F2128 HydrophobicContact CG-CZ 4.31Å; A2084-F2128 VanDerWaalsContact CB-C 3.47Å; A2084-F2128 HydrophobicContact CB-CB 4.46Å; A2084-F2128 HydrophobicContact CB-CD2 4.13Å; A2084-F2128 HydrophobicContact CB-CE2 4.38Å; A2084-F2128 HydrophobicContact CB-CG 4.21Å; A2084-F2128 WeakPolarHBondContact CB-O 3.18Å; A2084-F2128 WeakPolarHBondContact O-CD2 3.24Å; A2084-F2128 WeakPolarHBondContact O-CE2 3.33Å; G2085-F2128 VanDerWaalsContact O-CD2 3.3Å; G2085-F2128 WeakPolarHBondContact O-CD2 3.12Å; G2086-F2128 WeakPolarHBondContact O-CZ 3.34Å; F2128-V2267 HydrophobicContact CD2-CG1 4.46Å; F2128-V2267 HydrophobicContact CD2-CG2 4.13Å; F2128-V2267 HydrophobicContact CE2-CG1 4.38Å; F2128-V2267 HydrophobicContact CE2-CG2 3.72Å |
| 2129 | H | 59.2 | Low | 66.2 | Low | 68.3333 Ų | 68.3333 | 30.9 Ų | 30.9 | 32% | 0.316 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -97.4 | 106.7 | 169 | -61.8 | -76 | 0 | 0 | 0 | 107.9 | V2054 A2058 D2062 P2127 | V2054-H2129 HydrophobicContact CB-CB 3.48Å; V2054-H2129 VanDerWaalsContact CB-CB 3.48Å; V2054-H2129 WeakPolarHBondContact CB-O 3.25Å; V2054-H2129 HydrophobicContact CG1-CB 4.08Å; V2054-H2129 WeakPolarHBondContact CG1-O 3.49Å; V2054-H2129 HydrophobicContact CG2-CB 3.72Å; V2054-H2129 VanDerWaalsContact CG2-O 3.24Å; V2054-H2129 WeakPolarHBondContact CG2-O 3.26Å; V2054-H2129 PolarHBondContact N-O 3.47Å; A2058-H2129 HydrophobicContact CB-CB 4.44Å; D2062-H2129 IonicContact OD2-CE1 2.76Å; D2062-H2129 IonicContact OD2-ND1 3.38Å; P2127-H2129 CarbonylContact O-C 3.55Å; P2127-H2129 PolarHBondContact O-N 3.31Å |
| 2130 | R | 66.8 | Low | 67.9 | Low | 0.666667 Ų | 0.666667 | 31.6 Ų | 31.6 | 0% | 0.003 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 164.5 | 174.1 | 67.8 | 170.2 | -101.3 | -178.5 | -4.3 | 112 | E2046 S2049 S2053 T2075 P2077 N2078 A2080 G2125 P2127 F2133 W2268 | E2046-R2130 IonicContact OE1-CZ 3.09Å; E2046-R2130 IonicContact OE1-NH1 3.45Å; E2046-R2130 PolarHBondContact OE1-NH1 2.85Å; E2046-R2130 IonicContact OE1-NH2 3.57Å; E2046-R2130 PolarHBondContact OE1-NH2 3.24Å; E2046-R2130 IonicContact OE2-CZ 2.67Å; E2046-R2130 IonicContact OE2-NH2 3.87Å; E2046-R2130 PolarHBondContact OE2-NH2 3.13Å; S2049-R2130 PolarHBondContact OG-NH2 3.19Å; S2053-R2130 WeakPolarHBondContact OG-CA 3.35Å; S2053-R2130 WeakPolarHBondContact OG-CB 3.16Å; T2075-R2130 PolarHBondContact N-O 3.14Å; P2077-R2130 VanDerWaalsContact CA-O 3.31Å; P2077-R2130 WeakPolarHBondContact CA-O 3.19Å; N2078-R2130 PolarHBondContact N-O 3.39Å; N2078-R2130 VanDerWaalsContact O-O 3.07Å; A2080-R2130 HydrophobicContact CB-CG 4.02Å; A2080-R2130 PolarHBondContact N-O 3.01Å; A2080-R2130 VanDerWaalsContact N-O 3.13Å; G2125-R2130 VanDerWaalsContact C-NH2 3.32Å; G2125-R2130 WeakPolarHBondContact O-CD 3.42Å; G2125-R2130 PolarHBondContact O-NE 3.22Å; G2125-R2130 PolarHBondContact O-NH1 3.11Å; G2125-R2130 VanDerWaalsContact O-NH1 3.12Å; G2125-R2130 PolarHBondContact O-NH2 3.48Å; P2127-R2130 HydrophobicContact CG-CB 4.27Å; P2127-R2130 PolarHBondContact O-N 2.91Å; R2130-F2133 VanDerWaalsContact NH1-CE1 3.33Å; R2130-W2268 HydrophobicContact CG-CH2 3.8Å; R2130-W2268 HydrophobicContact CG-CZ2 3.63Å |
| 2131 | I | 69.7 | Low | 69.4 | Low | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 139.8 | 171.5 | -59.4 | 175.2 | 0 | 0 | 0 | 109.4 | F2005 F2008 V2052 S2053 V2072 W2074 F2133 | F2005-I2131 HydrophobicContact CD1-CD1 3.68Å; F2005-I2131 HydrophobicContact CD1-CG1 3.8Å; F2005-I2131 HydrophobicContact CE1-CD1 3.93Å; F2005-I2131 HydrophobicContact CE1-CG1 3.82Å; F2005-I2131 HydrophobicContact CG-CD1 4.3Å; F2005-I2131 HydrophobicContact CZ-CD1 4.34Å; F2005-I2131 HydrophobicContact CZ-CG1 4.12Å; F2008-I2131 HydrophobicContact CB-CD1 4.31Å; F2008-I2131 HydrophobicContact CB-CG2 4.15Å; F2008-I2131 HydrophobicContact CD1-CG2 3.83Å; F2008-I2131 HydrophobicContact CD2-CD1 3.47Å; F2008-I2131 VanDerWaalsContact CD2-CD1 3.41Å; F2008-I2131 HydrophobicContact CD2-CG2 4.26Å; F2008-I2131 HydrophobicContact CE1-CD1 4.46Å; F2008-I2131 HydrophobicContact CE1-CG2 4.27Å; F2008-I2131 HydrophobicContact CE2-CD1 3.52Å; F2008-I2131 VanDerWaalsContact CE2-CD1 3.46Å; F2008-I2131 HydrophobicContact CE2-CG2 4.47Å; F2008-I2131 HydrophobicContact CG-CD1 4.09Å; F2008-I2131 HydrophobicContact CG-CG2 3.82Å; F2008-I2131 HydrophobicContact CZ-CD1 4.02Å; F2008-I2131 HydrophobicContact CZ-CG2 4.5Å; V2052-I2131 HydrophobicContact CB-CD1 4.13Å; V2052-I2131 HydrophobicContact CG1-CD1 3.81Å; V2052-I2131 HydrophobicContact CG1-CG1 4.4Å; V2052-I2131 HydrophobicContact CG2-CD1 4.21Å; S2053-I2131 PolarHBondContact OG-N 3.25Å; V2072-I2131 HydrophobicContact CG1-CG2 4.48Å; W2074-I2131 HydrophobicContact CZ3-CG1 4.38Å; I2131-F2133 PolarHBondContact O-N 3.06Å |
| 2132 | Y | 72.7 | Confident | 70.8 | Confident | 49.6667 Ų | 49.6667 | 24.4 Ų | 24.4 | 20% | 0.195 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 142.4 | 179.8 | -163.4 | -98.8 | 0 | 0 | 0 | 112.3 | Q2073 T2075 N2078 F2083 M2134 D2136 | Q2073-Y2132 HydrophobicContact CB-CD2 4.44Å; Q2073-Y2132 HydrophobicContact CB-CG 4.25Å; Q2073-Y2132 VanDerWaalsContact O-CB 3.23Å; Q2073-Y2132 WeakPolarHBondContact O-CB 3.48Å; Q2073-Y2132 PolarHBondContact O-N 2.9Å; T2075-Y2132 VanDerWaalsContact OG1-CA 3.23Å; T2075-Y2132 WeakPolarHBondContact OG1-CA 3.18Å; T2075-Y2132 WeakPolarHBondContact OG1-CD2 3.35Å; T2075-Y2132 WeakPolarHBondContact OG1-CE2 3.21Å; N2078-Y2132 HydrophobicContact CB-CD2 4.36Å; N2078-Y2132 HydrophobicContact CB-CG 4.19Å; N2078-Y2132 WeakPolarHBondContact O-CB 3.14Å; N2078-Y2132 PolarHBondContact O-N 2.89Å; N2078-Y2132 VanDerWaalsContact O-N 3.11Å; F2083-Y2132 HydrophobicContact CD2-CE2 4.47Å; F2083-Y2132 HydrophobicContact CE2-CE2 4.05Å; Y2132-M2134 PolarHBondContact O-N 3.03Å; Y2132-M2134 VanDerWaalsContact O-N 3.15Å; Y2132-D2136 HydrophobicContact CD1-CB 4.06Å; Y2132-D2136 HydrophobicContact CE1-CB 3.16Å; Y2132-D2136 WeakPolarHBondContact CE1-OD2 3.47Å; Y2132-D2136 HydrophobicContact CE2-CB 4.44Å; Y2132-D2136 WeakPolarHBondContact CE2-OD2 3.31Å; Y2132-D2136 VanDerWaalsContact CZ-CB 3.41Å; Y2132-D2136 VanDerWaalsContact OH-CB 3.29Å; Y2132-D2136 WeakPolarHBondContact OH-CB 3.34Å; Y2132-D2136 PolarHBondContact OH-OD2 3.06Å |
| 2133 | F | 78.8 | Confident | 71.9 | Confident | 3.66667 Ų | 3.66667 | 23.3 Ų | 23.3 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 126.4 | 177.8 | -66.4 | -71.1 | 0 | 0 | 0 | 111.6 | E2046 S2049 R2130 I2131 Y2135 D2136 R2222 W2268 | E2046-F2133 HydrophobicContact CG-CE1 4.46Å; E2046-F2133 VanDerWaalsContact OE1-CD1 3.24Å; E2046-F2133 WeakPolarHBondContact OE1-CD1 3.27Å; E2046-F2133 WeakPolarHBondContact OE1-CE1 3.27Å; E2046-F2133 WeakPolarHBondContact OE1-CZ 3.47Å; E2046-F2133 WeakPolarHBondContact OE2-CD1 3.42Å; E2046-F2133 WeakPolarHBondContact OE2-CE1 3.43Å; E2046-F2133 WeakPolarHBondContact OE2-CG 3.3Å; S2049-F2133 VanDerWaalsContact OG-CD1 3.23Å; S2049-F2133 WeakPolarHBondContact OG-CD1 3.44Å; S2049-F2133 WeakPolarHBondContact OG-CE1 3.49Å; R2130-F2133 VanDerWaalsContact NH1-CE1 3.33Å; I2131-F2133 PolarHBondContact O-N 3.06Å; F2133-Y2135 VanDerWaalsContact C-N 3.26Å; F2133-Y2135 HydrophobicContact CB-CD1 3.78Å; F2133-Y2135 HydrophobicContact CB-CD2 4.27Å; F2133-Y2135 HydrophobicContact CB-CE1 3.35Å; F2133-Y2135 VanDerWaalsContact CB-CE1 3.41Å; F2133-Y2135 HydrophobicContact CB-CE2 3.82Å; F2133-Y2135 HydrophobicContact CB-CG 4.34Å; F2133-Y2135 VanDerWaalsContact CB-CZ 3.43Å; F2133-Y2135 HydrophobicContact CD1-CD1 4.33Å; F2133-Y2135 AromaticContact CD1-CE1 3.34Å; F2133-Y2135 HydrophobicContact CD1-CE1 3.34Å; F2133-Y2135 AromaticContact CD1-CZ 3.57Å; F2133-Y2135 VanDerWaalsContact CD1-OH 3.25Å; F2133-Y2135 WeakPolarHBondContact CD1-OH 3.42Å; F2133-Y2135 AromaticContact CD2-CE1 3.6Å; F2133-Y2135 HydrophobicContact CD2-CE1 4.04Å; F2133-Y2135 AromaticContact CD2-CZ 3.88Å; F2133-Y2135 VanDerWaalsContact CD2-OH 3.31Å; F2133-Y2135 WeakPolarHBondContact CD2-OH 3.4Å; F2133-Y2135 HydrophobicContact CE1-CE1 4.19Å; F2133-Y2135 HydrophobicContact CE2-CE1 4.47Å; F2133-Y2135 HydrophobicContact CG-CD1 4.37Å; F2133-Y2135 AromaticContact CG-CE1 3.58Å; F2133-Y2135 HydrophobicContact CG-CE1 3.58Å; F2133-Y2135 VanDerWaalsContact CG-CE1 3.49Å; F2133-Y2135 HydrophobicContact CG-CE2 4.25Å; F2133-Y2135 AromaticContact CG-CZ 3.4Å; F2133-Y2135 VanDerWaalsContact CG-CZ 3.49Å; F2133-Y2135 WeakPolarHBondContact CG-OH 3.1Å; F2133-Y2135 PolarHBondContact O-N 3.42Å; F2133-Y2135 VanDerWaalsContact O-N 3.16Å; F2133-D2136 HydrophobicContact CB-CB 4.4Å; F2133-D2136 WeakPolarHBondContact O-CB 3.21Å; F2133-D2136 PolarHBondContact O-N 3.04Å; F2133-D2136 VanDerWaalsContact O-N 3.07Å; F2133-R2222 VanDerWaalsContact CE2-NE 3.33Å; F2133-W2268 HydrophobicContact CE2-CE3 4.19Å; F2133-W2268 HydrophobicContact CE2-CH2 4.17Å; F2133-W2268 AromaticContact CE2-CZ3 3.76Å; F2133-W2268 HydrophobicContact CE2-CZ3 3.76Å; F2133-W2268 HydrophobicContact CZ-CE3 4.43Å; F2133-W2268 HydrophobicContact CZ-CZ3 4.35Å |
| 2134 | M | 84.3 | Confident | 72.5 | Confident | 3.33333 Ų | 3.33333 | 24.9 Ų | 24.9 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -28.3 | -174.5 | -167.9 | 66.7 | 97 | 0 | 0 | 113.1 | F2008 I2011 Q2012 L2015 L2042 S2045 Y2132 D2136 Y2137 I2138 | F2008-M2134 HydrophobicContact CD1-CE 4.11Å; I2011-M2134 HydrophobicContact CB-CE 3.9Å; I2011-M2134 HydrophobicContact CG2-CE 3.76Å; I2011-M2134 VanDerWaalsContact CG2-CE 3.49Å; I2011-M2134 HydrophobicContact CG2-SD 4.11Å; Q2012-M2134 HydrophobicContact CB-CE 4.15Å; Q2012-M2134 HydrophobicContact CB-SD 4.46Å; Q2012-M2134 HydrophobicContact CG-CE 3.72Å; Q2012-M2134 HydrophobicContact CG-SD 3.66Å; Q2012-M2134 WeakPolarHBondContact CG-SD 3.42Å; L2015-M2134 HydrophobicContact CD1-CE 3.95Å; L2015-M2134 VanDerWaalsContact CD1-CE 3.49Å; L2015-M2134 HydrophobicContact CD1-CG 3.98Å; L2015-M2134 HydrophobicContact CD1-SD 3.94Å; L2042-M2134 HydrophobicContact CD2-CB 3.84Å; L2042-M2134 HydrophobicContact CD2-CG 3.97Å; S2045-M2134 VanDerWaalsContact OG-CB 3.29Å; S2045-M2134 WeakPolarHBondContact OG-CB 3.4Å; Y2132-M2134 PolarHBondContact O-N 3.03Å; Y2132-M2134 VanDerWaalsContact O-N 3.15Å; M2134-D2136 VanDerWaalsContact C-N 3.31Å; M2134-D2136 PolarHBondContact O-N 3.21Å; M2134-Y2137 HydrophobicContact CE-CD1 3.45Å; M2134-Y2137 VanDerWaalsContact CE-CD1 3.45Å; M2134-Y2137 HydrophobicContact CE-CE1 4.21Å; M2134-Y2137 HydrophobicContact CE-CG 4.01Å; M2134-Y2137 WeakPolarHBondContact O-CB 3.44Å; M2134-Y2137 PolarHBondContact O-N 3.12Å; M2134-Y2137 HydrophobicContact SD-CD1 4.19Å; M2134-I2138 HydrophobicContact CG-CD1 4.22Å; M2134-I2138 HydrophobicContact CG-CG1 4.23Å; M2134-I2138 WeakPolarHBondContact O-CG1 3.21Å; M2134-I2138 PolarHBondContact O-N 3.3Å; M2134-I2138 VanDerWaalsContact O-N 3.14Å |
| 2135 | Y | 85.9 | Confident | 72.9 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -35.4 | 179.8 | 59.4 | -104.6 | 0 | 0 | 0 | 113.1 | L2042 F2133 Y2137 I2138 I2139 F2219 R2222 L2223 K2226 | L2042-Y2135 VanDerWaalsContact CD2-N 3.34Å; F2133-Y2135 VanDerWaalsContact C-N 3.26Å; F2133-Y2135 HydrophobicContact CB-CD1 3.78Å; F2133-Y2135 HydrophobicContact CB-CD2 4.27Å; F2133-Y2135 HydrophobicContact CB-CE1 3.35Å; F2133-Y2135 VanDerWaalsContact CB-CE1 3.41Å; F2133-Y2135 HydrophobicContact CB-CE2 3.82Å; F2133-Y2135 HydrophobicContact CB-CG 4.34Å; F2133-Y2135 VanDerWaalsContact CB-CZ 3.43Å; F2133-Y2135 HydrophobicContact CD1-CD1 4.33Å; F2133-Y2135 AromaticContact CD1-CE1 3.34Å; F2133-Y2135 HydrophobicContact CD1-CE1 3.34Å; F2133-Y2135 AromaticContact CD1-CZ 3.57Å; F2133-Y2135 VanDerWaalsContact CD1-OH 3.25Å; F2133-Y2135 WeakPolarHBondContact CD1-OH 3.42Å; F2133-Y2135 AromaticContact CD2-CE1 3.6Å; F2133-Y2135 HydrophobicContact CD2-CE1 4.04Å; F2133-Y2135 AromaticContact CD2-CZ 3.88Å; F2133-Y2135 VanDerWaalsContact CD2-OH 3.31Å; F2133-Y2135 WeakPolarHBondContact CD2-OH 3.4Å; F2133-Y2135 HydrophobicContact CE1-CE1 4.19Å; F2133-Y2135 HydrophobicContact CE2-CE1 4.47Å; F2133-Y2135 HydrophobicContact CG-CD1 4.37Å; F2133-Y2135 AromaticContact CG-CE1 3.58Å; F2133-Y2135 HydrophobicContact CG-CE1 3.58Å; F2133-Y2135 VanDerWaalsContact CG-CE1 3.49Å; F2133-Y2135 HydrophobicContact CG-CE2 4.25Å; F2133-Y2135 AromaticContact CG-CZ 3.4Å; F2133-Y2135 VanDerWaalsContact CG-CZ 3.49Å; F2133-Y2135 WeakPolarHBondContact CG-OH 3.1Å; F2133-Y2135 PolarHBondContact O-N 3.42Å; F2133-Y2135 VanDerWaalsContact O-N 3.16Å; Y2135-Y2137 VanDerWaalsContact C-N 3.28Å; Y2135-Y2137 PolarHBondContact O-N 3.15Å; Y2135-I2138 PolarHBondContact O-N 3.37Å; Y2135-I2139 WeakPolarHBondContact O-CB 3.34Å; Y2135-I2139 VanDerWaalsContact O-CG1 3.26Å; Y2135-I2139 WeakPolarHBondContact O-CG1 3.44Å; Y2135-I2139 PolarHBondContact O-N 2.97Å; Y2135-F2219 HydrophobicContact CD1-CD2 4.24Å; Y2135-F2219 AromaticContact CD1-CE2 3.74Å; Y2135-F2219 HydrophobicContact CD1-CE2 3.74Å; Y2135-F2219 HydrophobicContact CD1-CZ 4.36Å; Y2135-F2219 AromaticContact CE1-CD2 3.95Å; Y2135-F2219 HydrophobicContact CE1-CD2 3.95Å; Y2135-F2219 AromaticContact CE1-CE2 3.85Å; Y2135-F2219 HydrophobicContact CE1-CE2 3.93Å; Y2135-R2222 HydrophobicContact CE2-CB 4.35Å; Y2135-R2222 WeakPolarHBondContact OH-CB 3.3Å; Y2135-R2222 PolarHBondContact OH-NE 3.44Å; Y2135-L2223 VanDerWaalsContact CB-CD1 3.48Å; Y2135-L2223 HydrophobicContact CD1-CB 4.42Å; Y2135-L2223 HydrophobicContact CD1-CD1 4.42Å; Y2135-L2223 HydrophobicContact CD2-CB 4.38Å; Y2135-L2223 HydrophobicContact CD2-CD1 4.14Å; Y2135-L2223 HydrophobicContact CG-CB 4.37Å; Y2135-L2223 HydrophobicContact CG-CD1 3.78Å; Y2135-K2226 HydrophobicContact CD2-CB 4.35Å; Y2135-K2226 HydrophobicContact CD2-CG 4.35Å; Y2135-K2226 HydrophobicContact CE2-CB 4.31Å |
| 2136 | D | 81.5 | Confident | 73.1 | Confident | 14 Ų | 14 | 31.5 Ų | 31.5 | 8% | 0.075 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | -179.8 | -107.6 | -21.6 | 0 | 0 | 0 | 110.5 | Y2132 F2133 M2134 I2139 N2140 K2226 | Y2132-D2136 HydrophobicContact CD1-CB 4.06Å; Y2132-D2136 HydrophobicContact CE1-CB 3.16Å; Y2132-D2136 WeakPolarHBondContact CE1-OD2 3.47Å; Y2132-D2136 HydrophobicContact CE2-CB 4.44Å; Y2132-D2136 WeakPolarHBondContact CE2-OD2 3.31Å; Y2132-D2136 VanDerWaalsContact CZ-CB 3.41Å; Y2132-D2136 VanDerWaalsContact OH-CB 3.29Å; Y2132-D2136 WeakPolarHBondContact OH-CB 3.34Å; Y2132-D2136 PolarHBondContact OH-OD2 3.06Å; F2133-D2136 HydrophobicContact CB-CB 4.4Å; F2133-D2136 WeakPolarHBondContact O-CB 3.21Å; F2133-D2136 PolarHBondContact O-N 3.04Å; F2133-D2136 VanDerWaalsContact O-N 3.07Å; M2134-D2136 VanDerWaalsContact C-N 3.31Å; M2134-D2136 PolarHBondContact O-N 3.21Å; D2136-I2139 PolarHBondContact O-N 3.08Å; D2136-N2140 VanDerWaalsContact O-CB 3.31Å; D2136-N2140 WeakPolarHBondContact O-CB 3.37Å; D2136-N2140 PolarHBondContact O-N 3.06Å; D2136-N2140 VanDerWaalsContact O-N 3.12Å; D2136-N2140 PolarHBondContact O-ND2 3.46Å; D2136-N2140 VanDerWaalsContact O-ND2 3.17Å; D2136-N2140 VanDerWaalsContact OD1-CG 3.31Å; D2136-N2140 PolarHBondContact OD1-ND2 3.2Å; D2136-N2140 PolarHBondContact OD1-OD1 2.89Å; D2136-K2226 HydrophobicContact CB-CD 4.49Å; D2136-K2226 WeakPolarHBondContact OD1-CD 3.33Å; D2136-K2226 VanDerWaalsContact OD1-CE 3.3Å; D2136-K2226 WeakPolarHBondContact OD1-CE 3.23Å; D2136-K2226 WeakPolarHBondContact OD1-CG 3.46Å |
| 2137 | Y | 82.7 | Confident | 73.4 | Confident | 52.3333 Ų | 52.3333 | 33.8 Ų | 33.8 | 21% | 0.205 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -51.5 | 175.1 | 178.6 | -96.9 | 0 | 0 | 0 | 111.3 | Q2012 S2016 M2134 Y2135 I2139 N2140 C2141 | Q2012-Y2137 HydrophobicContact CB-CD1 4.13Å; Q2012-Y2137 HydrophobicContact CB-CD2 4.41Å; Q2012-Y2137 HydrophobicContact CB-CE1 3.77Å; Q2012-Y2137 HydrophobicContact CB-CE2 4.17Å; Q2012-Y2137 HydrophobicContact CB-CG 4.35Å; Q2012-Y2137 HydrophobicContact CG-CD1 3.97Å; Q2012-Y2137 HydrophobicContact CG-CD2 4.27Å; Q2012-Y2137 HydrophobicContact CG-CE1 4.15Å; Q2012-Y2137 HydrophobicContact CG-CE2 4.35Å; Q2012-Y2137 HydrophobicContact CG-CG 4.03Å; Q2012-Y2137 VanDerWaalsContact O-CE1 3.24Å; Q2012-Y2137 WeakPolarHBondContact O-CE1 3.35Å; Q2012-Y2137 PolarHBondContact O-OH 3.18Å; S2016-Y2137 VanDerWaalsContact CB-OH 3.3Å; S2016-Y2137 WeakPolarHBondContact CB-OH 3.4Å; M2134-Y2137 HydrophobicContact CE-CD1 3.45Å; M2134-Y2137 VanDerWaalsContact CE-CD1 3.45Å; M2134-Y2137 HydrophobicContact CE-CE1 4.21Å; M2134-Y2137 HydrophobicContact CE-CG 4.01Å; M2134-Y2137 WeakPolarHBondContact O-CB 3.44Å; M2134-Y2137 PolarHBondContact O-N 3.12Å; M2134-Y2137 HydrophobicContact SD-CD1 4.19Å; Y2135-Y2137 VanDerWaalsContact C-N 3.28Å; Y2135-Y2137 PolarHBondContact O-N 3.15Å; Y2137-I2139 PolarHBondContact O-N 3.21Å; Y2137-N2140 PolarHBondContact O-N 3.37Å; Y2137-C2141 WeakPolarHBondContact CE1-SG 3.29Å; Y2137-C2141 WeakPolarHBondContact CE2-SG 3.35Å; Y2137-C2141 WeakPolarHBondContact O-CB 3.34Å; Y2137-C2141 PolarHBondContact O-N 2.97Å; Y2137-C2141 PolarHBondContact O-SG 3.06Å; Y2137-C2141 VanDerWaalsContact O-SG 3.35Å |
| 2138 | I | 86.1 | Confident | 74.1 | Confident | 1.66667 Ų | 1.66667 | 32.7 Ų | 32.7 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -47.7 | -179 | -66.1 | -149.4 | 0 | 0 | 0 | 111.2 | L2015 V2019 W2034 I2038 L2042 M2134 Y2135 N2140 C2141 V2142 | L2015-I2138 HydrophobicContact CB-CD1 3.78Å; L2015-I2138 HydrophobicContact CD1-CD1 3.88Å; L2015-I2138 HydrophobicContact CD1-CG1 4.24Å; L2015-I2138 HydrophobicContact CD2-CD1 4.32Å; L2015-I2138 HydrophobicContact CG-CD1 4.18Å; V2019-I2138 HydrophobicContact CG2-CD1 4.12Å; V2019-I2138 HydrophobicContact CG2-CG2 4.45Å; W2034-I2138 HydrophobicContact CH2-CG2 4.39Å; W2034-I2138 HydrophobicContact CZ3-CG2 4.12Å; I2038-I2138 HydrophobicContact CD1-CD1 4.17Å; I2038-I2138 HydrophobicContact CG2-CD1 4.02Å; I2038-I2138 HydrophobicContact CG2-CG2 4.35Å; L2042-I2138 HydrophobicContact CD1-CD1 4.3Å; L2042-I2138 HydrophobicContact CD2-CD1 3.48Å; L2042-I2138 VanDerWaalsContact CD2-CD1 3.44Å; L2042-I2138 HydrophobicContact CD2-CG1 4.29Å; L2042-I2138 HydrophobicContact CG-CD1 3.94Å; M2134-I2138 HydrophobicContact CG-CD1 4.22Å; M2134-I2138 HydrophobicContact CG-CG1 4.23Å; M2134-I2138 WeakPolarHBondContact O-CG1 3.21Å; M2134-I2138 PolarHBondContact O-N 3.3Å; M2134-I2138 VanDerWaalsContact O-N 3.14Å; Y2135-I2138 PolarHBondContact O-N 3.37Å; I2138-N2140 VanDerWaalsContact C-N 3.35Å; I2138-N2140 PolarHBondContact O-N 3.47Å; I2138-C2141 WeakPolarHBondContact O-CB 3.29Å; I2138-C2141 PolarHBondContact O-N 3.03Å; I2138-V2142 HydrophobicContact CG2-CG2 4.43Å; I2138-V2142 VanDerWaalsContact O-CB 3.31Å; I2138-V2142 WeakPolarHBondContact O-CB 3.47Å; I2138-V2142 VanDerWaalsContact O-CG2 3.26Å; I2138-V2142 WeakPolarHBondContact O-CG2 3.39Å; I2138-V2142 PolarHBondContact O-N 3.13Å |
| 2139 | I | 84.7 | Confident | 75.2 | Confident | 4.33333 Ų | 4.33333 | 30.5 Ų | 30.5 | 2% | 0.022 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -43.1 | -179.2 | -64.4 | -78 | 0 | 0 | 0 | 110.8 | Y2135 D2136 Y2137 C2141 V2142 T2143 L2156 L2223 K2226 F2227 S2230 | Y2135-I2139 WeakPolarHBondContact O-CB 3.34Å; Y2135-I2139 VanDerWaalsContact O-CG1 3.26Å; Y2135-I2139 WeakPolarHBondContact O-CG1 3.44Å; Y2135-I2139 PolarHBondContact O-N 2.97Å; D2136-I2139 PolarHBondContact O-N 3.08Å; Y2137-I2139 PolarHBondContact O-N 3.21Å; I2139-C2141 PolarHBondContact O-N 3.18Å; I2139-V2142 PolarHBondContact O-N 3.39Å; I2139-T2143 HydrophobicContact CG2-CG2 4.26Å; I2139-T2143 WeakPolarHBondContact O-CB 3.05Å; I2139-T2143 WeakPolarHBondContact O-CG2 3.42Å; I2139-T2143 PolarHBondContact O-N 3.03Å; I2139-T2143 VanDerWaalsContact O-N 3.07Å; I2139-T2143 PolarHBondContact O-OG1 3.14Å; I2139-T2143 VanDerWaalsContact O-OG1 3.11Å; I2139-L2156 HydrophobicContact CD1-CD2 3.96Å; I2139-L2223 HydrophobicContact CD1-CD1 3.84Å; I2139-K2226 HydrophobicContact CB-CG 4.33Å; I2139-K2226 HydrophobicContact CD1-CB 4.12Å; I2139-K2226 HydrophobicContact CD1-CG 3.81Å; I2139-K2226 HydrophobicContact CG2-CG 4.32Å; I2139-F2227 HydrophobicContact CD1-CB 4.2Å; I2139-F2227 HydrophobicContact CD1-CD2 3.71Å; I2139-F2227 VanDerWaalsContact CD1-CD2 3.4Å; I2139-F2227 HydrophobicContact CD1-CE2 3.94Å; I2139-F2227 HydrophobicContact CD1-CG 4.3Å; I2139-F2227 HydrophobicContact CG1-CD2 4.33Å; I2139-S2230 VanDerWaalsContact CG2-CB 3.43Å; I2139-S2230 WeakPolarHBondContact CG2-OG 3.46Å |
| 2140 | N | 80.7 | Confident | 76.2 | Confident | 44 Ų | 44 | 27.6 Ų | 27.6 | 24% | 0.235 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.5 | -70.1 | -22.1 | 0 | 0 | 0 | 111.7 | D2136 Y2137 I2138 V2142 T2143 L2144 I2145 K2226 S2230 | D2136-N2140 VanDerWaalsContact O-CB 3.31Å; D2136-N2140 WeakPolarHBondContact O-CB 3.37Å; D2136-N2140 PolarHBondContact O-N 3.06Å; D2136-N2140 VanDerWaalsContact O-N 3.12Å; D2136-N2140 PolarHBondContact O-ND2 3.46Å; D2136-N2140 VanDerWaalsContact O-ND2 3.17Å; D2136-N2140 VanDerWaalsContact OD1-CG 3.31Å; D2136-N2140 PolarHBondContact OD1-ND2 3.2Å; D2136-N2140 PolarHBondContact OD1-OD1 2.89Å; Y2137-N2140 PolarHBondContact O-N 3.37Å; I2138-N2140 VanDerWaalsContact C-N 3.35Å; I2138-N2140 PolarHBondContact O-N 3.47Å; N2140-V2142 VanDerWaalsContact C-N 3.31Å; N2140-V2142 PolarHBondContact O-N 3.32Å; N2140-T2143 WeakPolarHBondContact CA-OG1 3.32Å; N2140-T2143 PolarHBondContact O-N 3.39Å; N2140-T2143 PolarHBondContact O-OG1 3.09Å; N2140-T2143 VanDerWaalsContact O-OG1 3.07Å; N2140-L2144 HydrophobicContact CB-CD1 4.49Å; N2140-L2144 WeakPolarHBondContact O-CA 3.43Å; N2140-L2144 WeakPolarHBondContact O-CB 3.44Å; N2140-L2144 VanDerWaalsContact O-CG 3.22Å; N2140-L2144 WeakPolarHBondContact O-CG 3.31Å; N2140-L2144 PolarHBondContact O-N 3.09Å; N2140-I2145 PolarHBondContact O-N 3.11Å; N2140-K2226 WeakPolarHBondContact OD1-CE 3.38Å; N2140-K2226 PolarHBondContact OD1-NZ 2.87Å; N2140-S2230 PolarHBondContact OD1-OG 2.76Å; N2140-S2230 VanDerWaalsContact OD1-OG 3.09Å |
| 2141 | C | 79.3 | Confident | 76.9 | Confident | 13.3333 Ų | 13.3333 | 27.9 Ų | 27.9 | 9% | 0.09 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.2 | -48.1 | 177.2 | -75.6 | 0 | 0 | 0 | 0 | 111.2 | Y2137 I2138 I2139 T2143 L2144 I2145 H2146 | Y2137-C2141 WeakPolarHBondContact CE1-SG 3.29Å; Y2137-C2141 WeakPolarHBondContact CE2-SG 3.35Å; Y2137-C2141 WeakPolarHBondContact O-CB 3.34Å; Y2137-C2141 PolarHBondContact O-N 2.97Å; Y2137-C2141 PolarHBondContact O-SG 3.06Å; Y2137-C2141 VanDerWaalsContact O-SG 3.35Å; I2138-C2141 WeakPolarHBondContact O-CB 3.29Å; I2138-C2141 PolarHBondContact O-N 3.03Å; I2139-C2141 PolarHBondContact O-N 3.18Å; C2141-T2143 VanDerWaalsContact C-N 3.31Å; C2141-T2143 PolarHBondContact O-N 3.18Å; C2141-L2144 PolarHBondContact O-N 3.16Å; C2141-I2145 HydrophobicContact CB-CD1 4.36Å; C2141-I2145 WeakPolarHBondContact O-CB 3.4Å; C2141-I2145 VanDerWaalsContact O-CD1 3.24Å; C2141-I2145 WeakPolarHBondContact O-CD1 3.28Å; C2141-I2145 WeakPolarHBondContact O-CG1 3.33Å; C2141-I2145 PolarHBondContact O-N 3.22Å; C2141-H2146 WeakPolarHBondContact O-CB 3.33Å; C2141-H2146 PolarHBondContact O-CD2 3.27Å; C2141-H2146 PolarHBondContact O-N 3.09Å |
| 2142 | V | 79.9 | Confident | 77.6 | Confident | 1.66667 Ų | 1.66667 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | -179.5 | 167.3 | 0 | 0 | 0 | 0 | 112.7 | V2019 W2034 I2138 I2139 N2140 L2144 L2148 V2150 L2153 | V2019-V2142 HydrophobicContact CG1-CG2 3.63Å; V2019-V2142 HydrophobicContact CG2-CG2 4.42Å; W2034-V2142 HydrophobicContact CH2-CG2 3.34Å; W2034-V2142 HydrophobicContact CZ2-CG2 4.07Å; W2034-V2142 HydrophobicContact CZ3-CG2 4.1Å; I2138-V2142 HydrophobicContact CG2-CG2 4.43Å; I2138-V2142 VanDerWaalsContact O-CB 3.31Å; I2138-V2142 WeakPolarHBondContact O-CB 3.47Å; I2138-V2142 VanDerWaalsContact O-CG2 3.26Å; I2138-V2142 WeakPolarHBondContact O-CG2 3.39Å; I2138-V2142 PolarHBondContact O-N 3.13Å; I2139-V2142 PolarHBondContact O-N 3.39Å; N2140-V2142 VanDerWaalsContact C-N 3.31Å; N2140-V2142 PolarHBondContact O-N 3.32Å; V2142-L2144 VanDerWaalsContact C-N 3.32Å; V2142-L2144 PolarHBondContact O-N 3.39Å; V2142-L2148 HydrophobicContact CB-CD1 4.34Å; V2142-L2148 HydrophobicContact CB-CD2 4.16Å; V2142-L2148 HydrophobicContact CG1-CB 4.09Å; V2142-L2148 HydrophobicContact CG1-CD1 3.94Å; V2142-L2148 HydrophobicContact CG1-CD2 3.41Å; V2142-L2148 HydrophobicContact CG2-CD1 4.18Å; V2142-L2148 HydrophobicContact CG2-CD2 4.08Å; V2142-L2148 PolarHBondContact O-N 3Å; V2142-V2150 HydrophobicContact CG1-CG1 4.16Å; V2142-L2153 HydrophobicContact CB-CD1 4.42Å; V2142-L2153 HydrophobicContact CG1-CD1 3.37Å; V2142-L2153 VanDerWaalsContact CG1-CD1 3.45Å; V2142-L2153 HydrophobicContact CG1-CD2 3.77Å; V2142-L2153 HydrophobicContact CG1-CG 4.07Å; V2142-L2153 HydrophobicContact CG2-CD2 4.38Å |
| 2143 | T | 72.6 | Confident | 78.3 | Confident | 31.6667 Ų | 31.6667 | 25.8 Ų | 25.8 | 19% | 0.194 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -81.2 | -26.8 | -175.5 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | I2139 N2140 C2141 V2150 S2230 L2231 | I2139-T2143 HydrophobicContact CG2-CG2 4.26Å; I2139-T2143 WeakPolarHBondContact O-CB 3.05Å; I2139-T2143 WeakPolarHBondContact O-CG2 3.42Å; I2139-T2143 PolarHBondContact O-N 3.03Å; I2139-T2143 VanDerWaalsContact O-N 3.07Å; I2139-T2143 PolarHBondContact O-OG1 3.14Å; I2139-T2143 VanDerWaalsContact O-OG1 3.11Å; N2140-T2143 WeakPolarHBondContact CA-OG1 3.32Å; N2140-T2143 PolarHBondContact O-N 3.39Å; N2140-T2143 PolarHBondContact O-OG1 3.09Å; N2140-T2143 VanDerWaalsContact O-OG1 3.07Å; C2141-T2143 VanDerWaalsContact C-N 3.31Å; C2141-T2143 PolarHBondContact O-N 3.18Å; T2143-V2150 HydrophobicContact CG2-CG1 4.36Å; T2143-S2230 WeakPolarHBondContact CG2-O 3.17Å; T2143-L2231 HydrophobicContact CG2-CD2 3.97Å; T2143-L2231 HydrophobicContact CG2-CG 4.42Å |
| 2144 | L | 67.4 | Low | 78.6 | Confident | 121.333 Ų | 121.333 | 25.9 Ų | 25.9 | 64% | 0.635 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -96.5 | -31.5 | -179.8 | -66.3 | 171.9 | 0 | 0 | 0 | 113.3 | N2140 C2141 V2142 H2146 N2147 | N2140-L2144 HydrophobicContact CB-CD1 4.49Å; N2140-L2144 WeakPolarHBondContact O-CA 3.43Å; N2140-L2144 WeakPolarHBondContact O-CB 3.44Å; N2140-L2144 VanDerWaalsContact O-CG 3.22Å; N2140-L2144 WeakPolarHBondContact O-CG 3.31Å; N2140-L2144 PolarHBondContact O-N 3.09Å; C2141-L2144 PolarHBondContact O-N 3.16Å; V2142-L2144 VanDerWaalsContact C-N 3.32Å; V2142-L2144 PolarHBondContact O-N 3.39Å; L2144-H2146 PolarHBondContact O-CE1 3.37Å; L2144-H2146 PolarHBondContact O-N 3.38Å; L2144-H2146 VanDerWaalsContact O-N 3.13Å; L2144-H2146 PolarHBondContact O-ND1 3.28Å; L2144-N2147 PolarHBondContact O-OD1 3.31Å |
| 2145 | I | 65.4 | Low | 78.8 | Confident | 54 Ų | 54 | 25.9 Ų | 25.9 | 28% | 0.277 | 13% | 0.133 | S | C | . | . | trans | -76.5 | 93.5 | -176.8 | -64.3 | 165.3 | 0 | 0 | 0 | 110.2 | V2019 I2020 N2140 C2141 N2147 L2148 | V2019-I2145 HydrophobicContact CB-CD1 4.4Å; V2019-I2145 HydrophobicContact CG1-CD1 3.74Å; I2020-I2145 HydrophobicContact CD1-CD1 4.42Å; I2020-I2145 HydrophobicContact CG1-CD1 3.58Å; I2020-I2145 HydrophobicContact CG1-CG1 4.1Å; I2020-I2145 HydrophobicContact CG1-CG2 4.33Å; N2140-I2145 PolarHBondContact O-N 3.11Å; C2141-I2145 HydrophobicContact CB-CD1 4.36Å; C2141-I2145 WeakPolarHBondContact O-CB 3.4Å; C2141-I2145 VanDerWaalsContact O-CD1 3.24Å; C2141-I2145 WeakPolarHBondContact O-CD1 3.28Å; C2141-I2145 WeakPolarHBondContact O-CG1 3.33Å; C2141-I2145 PolarHBondContact O-N 3.22Å; I2145-N2147 PolarHBondContact O-N 3.43Å; I2145-L2148 HydrophobicContact CG2-CB 4.46Å; I2145-L2148 PolarHBondContact O-N 3Å | ||
| 2146 | H | 61.5 | Low | 79 | Confident | 90.3333 Ų | 90.3333 | 25.9 Ų | 25.9 | 42% | 0.418 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.4 | -174.1 | -57.5 | -39.9 | 0 | 0 | 0 | 114.4 | E1831 I1833 S2016 I2020 C2141 L2144 L2148 | E1831-H2146 VanDerWaalsContact CB-O 3.31Å; E1831-H2146 WeakPolarHBondContact CB-O 3.34Å; E1831-H2146 WeakPolarHBondContact CG-O 3.39Å; I1833-H2146 WeakPolarHBondContact CD1-CE1 3.31Å; I1833-H2146 WeakPolarHBondContact CD1-ND1 3.3Å; I1833-H2146 HydrophobicContact CG2-CB 3.99Å; S2016-H2146 PolarHBondContact OG-NE2 3.12Å; I2020-H2146 WeakPolarHBondContact CD1-CE1 3.35Å; I2020-H2146 HydrophobicContact CG1-CB 4.29Å; I2020-H2146 WeakPolarHBondContact CG1-ND1 3.43Å; C2141-H2146 WeakPolarHBondContact O-CB 3.33Å; C2141-H2146 PolarHBondContact O-CD2 3.27Å; C2141-H2146 PolarHBondContact O-N 3.09Å; L2144-H2146 PolarHBondContact O-CE1 3.37Å; L2144-H2146 PolarHBondContact O-N 3.38Å; L2144-H2146 VanDerWaalsContact O-N 3.13Å; L2144-H2146 PolarHBondContact O-ND1 3.28Å; H2146-L2148 PolarHBondContact O-N 2.7Å |
| 2147 | N | 65.5 | Low | 79.2 | Confident | 53.3333 Ų | 53.3333 | 25.4 Ų | 25.4 | 29% | 0.285 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 20.9 | -177.9 | -57.3 | -19.9 | 0 | 0 | 0 | 114.4 | E1831 I1833 L2144 I2145 | E1831-N2147 WeakPolarHBondContact CB-O 3.33Å; E1831-N2147 VanDerWaalsContact CG-O 3.23Å; E1831-N2147 WeakPolarHBondContact CG-O 3.49Å; E1831-N2147 WeakPolarHBondContact OE1-CA 3.43Å; E1831-N2147 PolarHBondContact OE1-OD1 2.93Å; I1833-N2147 HydrophobicContact CB-CB 3.73Å; I1833-N2147 VanDerWaalsContact CD1-ND2 3.35Å; I1833-N2147 WeakPolarHBondContact CD1-ND2 3.32Å; I1833-N2147 HydrophobicContact CG2-CB 3.62Å; L2144-N2147 PolarHBondContact O-OD1 3.31Å; I2145-N2147 PolarHBondContact O-N 3.43Å |
| 2148 | L | 74.9 | Confident | 79.3 | Confident | 11.6667 Ų | 11.6667 | 24.9 Ų | 24.9 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | trans | -91.4 | 143.3 | -178.7 | -129.1 | 110.8 | 0 | 0 | 0 | 111.7 | S1832 V2019 W2034 V2142 I2145 H2146 V2150 L2153 | S1832-L2148 PolarHBondContact N-O 3.3Å; V2019-L2148 HydrophobicContact CG1-CD1 3.92Å; V2019-L2148 VanDerWaalsContact CG1-CD1 3.5Å; W2034-L2148 HydrophobicContact CZ2-CD2 4.11Å; V2142-L2148 HydrophobicContact CB-CD1 4.34Å; V2142-L2148 HydrophobicContact CB-CD2 4.16Å; V2142-L2148 HydrophobicContact CG1-CB 4.09Å; V2142-L2148 HydrophobicContact CG1-CD1 3.94Å; V2142-L2148 HydrophobicContact CG1-CD2 3.41Å; V2142-L2148 HydrophobicContact CG2-CD1 4.18Å; V2142-L2148 HydrophobicContact CG2-CD2 4.08Å; V2142-L2148 PolarHBondContact O-N 3Å; I2145-L2148 HydrophobicContact CG2-CB 4.46Å; I2145-L2148 PolarHBondContact O-N 3Å; H2146-L2148 PolarHBondContact O-N 2.7Å; L2148-V2150 PolarHBondContact O-N 3.34Å; L2148-L2153 HydrophobicContact CD2-CD2 4.21Å | ||
| 2149 | D | 80.2 | Confident | 79.4 | Confident | 14 Ų | 14 | 25.5 Ų | 25.5 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | trans | -74.9 | 105.9 | 163.8 | 175 | 15.5 | 0 | 0 | 0 | 109.4 | H1827 H1829 H2151 C2152 | H1827-D2149 IonicContact CD2-OD2 3.65Å; H1827-D2149 PolarHBondContact CD2-OD2 3.08Å; H1827-D2149 VanDerWaalsContact CD2-OD2 3.28Å; H1827-D2149 IonicContact NE2-OD1 3.37Å; H1827-D2149 IonicContact NE2-OD2 3.47Å; H1827-D2149 PolarHBondContact NE2-OD2 3.23Å; H1827-D2149 VanDerWaalsContact NE2-OD2 3.15Å; H1829-D2149 IonicContact ND1-OD2 3Å; D2149-H2151 PolarHBondContact O-N 3.09Å; D2149-H2151 WeakPolarHBondContact OD1-CB 3.14Å; D2149-H2151 IonicContact OD1-CD2 2.54Å; D2149-H2151 PolarHBondContact OD1-CD2 2.93Å; D2149-H2151 IonicContact OD1-CE1 2.92Å; D2149-H2151 IonicContact OD1-CG 3.27Å; D2149-H2151 PolarHBondContact OD1-N 3.27Å; D2149-H2151 VanDerWaalsContact OD1-N 3.17Å; D2149-H2151 IonicContact OD1-ND1 3.44Å; D2149-H2151 PolarHBondContact OD1-ND1 3.37Å; D2149-C2152 WeakPolarHBondContact O-CB 3.35Å; D2149-C2152 PolarHBondContact O-N 3.16Å; D2149-C2152 VanDerWaalsContact O-N 3.14Å | ||
| 2150 | V | 79.6 | Confident | 79.6 | Confident | 5.66667 Ų | 5.66667 | 25.3 Ų | 25.3 | 3% | 0.034 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -61 | -23.3 | -178.5 | -76 | 0 | 0 | 0 | 0 | 112.5 | F1811 S1832 V2142 T2143 L2148 C2152 L2153 L2231 I2234 | F1811-V2150 HydrophobicContact CD2-CB 4.46Å; F1811-V2150 HydrophobicContact CD2-CG2 4.32Å; F1811-V2150 VanDerWaalsContact CE2-O 3.23Å; F1811-V2150 WeakPolarHBondContact CE2-O 3.29Å; S1832-V2150 VanDerWaalsContact CB-CG2 3.46Å; S1832-V2150 WeakPolarHBondContact OG-CG2 3.24Å; S1832-V2150 PolarHBondContact OG-N 3.32Å; V2142-V2150 HydrophobicContact CG1-CG1 4.16Å; T2143-V2150 HydrophobicContact CG2-CG1 4.36Å; L2148-V2150 PolarHBondContact O-N 3.34Å; V2150-C2152 PolarHBondContact O-N 3.02Å; V2150-L2153 HydrophobicContact CB-CD1 4.11Å; V2150-L2153 HydrophobicContact CG1-CD1 4.14Å; V2150-L2153 VanDerWaalsContact O-CB 3.24Å; V2150-L2153 WeakPolarHBondContact O-CB 3.38Å; V2150-L2153 WeakPolarHBondContact O-CD1 3.43Å; V2150-L2153 WeakPolarHBondContact O-CG 3.27Å; V2150-L2153 PolarHBondContact O-N 3.35Å; V2150-L2153 VanDerWaalsContact O-N 3.13Å; V2150-L2231 HydrophobicContact CB-CD2 3.73Å; V2150-L2231 HydrophobicContact CG1-CD2 3.59Å; V2150-L2231 HydrophobicContact CG2-CD2 4.15Å; V2150-I2234 HydrophobicContact CG2-CG2 4.13Å |
| 2151 | H | 81.3 | Confident | 79.8 | Confident | 8.66667 Ų | 8.66667 | 23.7 Ų | 23.7 | 4% | 0.04 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -70.3 | -17.7 | 179.5 | -57.1 | 95.3 | 0 | 0 | 0 | 113.3 | L1809 L1810 I1817 H1827 H1828 D2149 L2153 H2154 | L1809-H2151 PolarHBondContact O-NE2 3.48Å; L1809-H2151 VanDerWaalsContact O-NE2 3.09Å; L1810-H2151 PolarHBondContact O-CE1 3.44Å; L1810-H2151 PolarHBondContact O-NE2 3.41Å; I1817-H2151 HydrophobicContact CD1-CB 3.11Å; I1817-H2151 HydrophobicContact CG1-CB 4.29Å; H1827-H2151 AromaticContact CE1-CD2 3.84Å; H1827-H2151 AromaticContact CE1-CG 3.86Å; H1827-H2151 AromaticContact CE1-ND1 3.88Å; H1827-H2151 AromaticContact NE2-CD2 3.8Å; H1827-H2151 AromaticContact NE2-CG 3.97Å; H1827-H2151 AromaticContact NE2-ND1 3.95Å; H1828-H2151 AromaticContact CE1-NE2 3.92Å; H1828-H2151 AromaticContact NE2-NE2 3.85Å; D2149-H2151 PolarHBondContact O-N 3.09Å; D2149-H2151 WeakPolarHBondContact OD1-CB 3.14Å; D2149-H2151 IonicContact OD1-CD2 2.54Å; D2149-H2151 PolarHBondContact OD1-CD2 2.93Å; D2149-H2151 IonicContact OD1-CE1 2.92Å; D2149-H2151 IonicContact OD1-CG 3.27Å; D2149-H2151 PolarHBondContact OD1-N 3.27Å; D2149-H2151 VanDerWaalsContact OD1-N 3.17Å; D2149-H2151 IonicContact OD1-ND1 3.44Å; D2149-H2151 PolarHBondContact OD1-ND1 3.37Å; H2151-L2153 PolarHBondContact O-N 3.23Å; H2151-H2154 PolarHBondContact O-N 3.42Å; H2151-H2154 PolarHBondContact O-ND1 2.93Å |
| 2152 | C | 84.8 | Confident | 80 | Confident | 6.66667 Ų | 6.66667 | 25.4 Ų | 25.4 | 5% | 0.045 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -66.8 | -11.6 | 170.2 | -71.7 | 0 | 0 | 0 | 0 | 113 | L1818 D2149 V2150 H2154 P2155 | L1818-C2152 HydrophobicContact CD1-CB 4.17Å; L1818-C2152 WeakPolarHBondContact CD1-O 3.21Å; L1818-C2152 HydrophobicContact CG-CB 4.41Å; D2149-C2152 WeakPolarHBondContact O-CB 3.35Å; D2149-C2152 PolarHBondContact O-N 3.16Å; D2149-C2152 VanDerWaalsContact O-N 3.14Å; V2150-C2152 PolarHBondContact O-N 3.02Å; C2152-H2154 VanDerWaalsContact C-N 3.33Å; C2152-H2154 PolarHBondContact O-N 3.08Å; C2152-P2155 VanDerWaalsContact O-CD 3.25Å; C2152-P2155 WeakPolarHBondContact O-CD 3.38Å |
| 2153 | L | 86.8 | Confident | 80 | Confident | 3.33333 Ų | 3.33333 | 25.5 Ų | 25.5 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -84.1 | -2.2 | -178.2 | -54.5 | 169.8 | 0 | 0 | 0 | 114.2 | F1811 W2034 V2142 L2148 V2150 H2151 P2155 L2156 W2157 F2227 | F1811-L2153 HydrophobicContact CE2-CB 4.44Å; W2034-L2153 HydrophobicContact CD2-CD2 3.63Å; W2034-L2153 VanDerWaalsContact CE2-CD2 3.45Å; W2034-L2153 HydrophobicContact CE3-CD2 3.73Å; W2034-L2153 HydrophobicContact CG-CD2 4.37Å; W2034-L2153 HydrophobicContact CH2-CD2 3.71Å; W2034-L2153 HydrophobicContact CZ2-CD2 3.57Å; W2034-L2153 HydrophobicContact CZ3-CD2 3.77Å; V2142-L2153 HydrophobicContact CB-CD1 4.42Å; V2142-L2153 HydrophobicContact CG1-CD1 3.37Å; V2142-L2153 VanDerWaalsContact CG1-CD1 3.45Å; V2142-L2153 HydrophobicContact CG1-CD2 3.77Å; V2142-L2153 HydrophobicContact CG1-CG 4.07Å; V2142-L2153 HydrophobicContact CG2-CD2 4.38Å; L2148-L2153 HydrophobicContact CD2-CD2 4.21Å; V2150-L2153 HydrophobicContact CB-CD1 4.11Å; V2150-L2153 HydrophobicContact CG1-CD1 4.14Å; V2150-L2153 VanDerWaalsContact O-CB 3.24Å; V2150-L2153 WeakPolarHBondContact O-CB 3.38Å; V2150-L2153 WeakPolarHBondContact O-CD1 3.43Å; V2150-L2153 WeakPolarHBondContact O-CG 3.27Å; V2150-L2153 PolarHBondContact O-N 3.35Å; V2150-L2153 VanDerWaalsContact O-N 3.13Å; H2151-L2153 PolarHBondContact O-N 3.23Å; L2153-P2155 VanDerWaalsContact C-N 3.27Å; L2153-P2155 WeakPolarHBondContact O-CD 3.34Å; L2153-P2155 VanDerWaalsContact O-N 3.13Å; L2153-L2156 WeakPolarHBondContact O-CB 3.37Å; L2153-L2156 PolarHBondContact O-N 3.06Å; L2153-W2157 PolarHBondContact O-N 3.22Å; L2153-F2227 HydrophobicContact CB-CE2 3.98Å; L2153-F2227 HydrophobicContact CB-CZ 3.58Å; L2153-F2227 HydrophobicContact CD1-CE2 4.31Å; L2153-F2227 HydrophobicContact CD1-CZ 4.02Å; L2153-F2227 HydrophobicContact CG-CZ 4.48Å |
| 2154 | H | 86 | Confident | 80.4 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 2% | 0.023 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -53.7 | -31.9 | -178.2 | 84.8 | -70.7 | 0 | 0 | 0 | 114.8 | F1811 K1816 L1818 Y2031 H2151 C2152 L2156 W2157 D2158 | F1811-H2154 HydrophobicContact CE1-CB 4.41Å; F1811-H2154 HydrophobicContact CZ-CB 4.21Å; K1816-H2154 VanDerWaalsContact C-NE2 3.35Å; L1818-H2154 PolarHBondContact N-CE1 3.4Å; L1818-H2154 VanDerWaalsContact N-CE1 3.28Å; L1818-H2154 PolarHBondContact N-NE2 2.93Å; Y2031-H2154 AromaticContact CE2-CE1 3.97Å; H2151-H2154 PolarHBondContact O-N 3.42Å; H2151-H2154 PolarHBondContact O-ND1 2.93Å; C2152-H2154 VanDerWaalsContact C-N 3.33Å; C2152-H2154 PolarHBondContact O-N 3.08Å; H2154-L2156 VanDerWaalsContact C-N 3.3Å; H2154-L2156 PolarHBondContact O-N 3.07Å; H2154-W2157 PolarHBondContact O-N 3.1Å; H2154-D2158 IonicContact CD2-OD2 2.91Å; H2154-D2158 IonicContact CE1-OD2 2.72Å; H2154-D2158 IonicContact ND1-OD2 2.99Å; H2154-D2158 PolarHBondContact ND1-OD2 3.39Å; H2154-D2158 WeakPolarHBondContact O-CB 3.42Å; H2154-D2158 PolarHBondContact O-N 3.18Å |
| 2155 | P | 87.7 | Confident | 80.9 | Confident | 4.66667 Ų | 4.66667 | 20 Ų | 20 | 3% | 0.03 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.9 | -34.1 | 176.6 | -21 | 35.5 | 0 | 0 | 0 | 112.6 | L1818 Y2031 W2034 C2152 L2153 W2159 | L1818-P2155 HydrophobicContact CD1-CG 4.04Å; Y2031-P2155 HydrophobicContact CD2-CB 4.35Å; Y2031-P2155 HydrophobicContact CD2-CG 3.69Å; Y2031-P2155 HydrophobicContact CE2-CB 4.28Å; Y2031-P2155 HydrophobicContact CE2-CG 3.93Å; Y2031-P2155 HydrophobicContact CG-CG 4.49Å; W2034-P2155 HydrophobicContact CB-CB 4.27Å; W2034-P2155 HydrophobicContact CB-CG 4.33Å; C2152-P2155 VanDerWaalsContact O-CD 3.25Å; C2152-P2155 WeakPolarHBondContact O-CD 3.38Å; L2153-P2155 VanDerWaalsContact C-N 3.27Å; L2153-P2155 WeakPolarHBondContact O-CD 3.34Å; L2153-P2155 VanDerWaalsContact O-N 3.13Å; P2155-W2159 WeakPolarHBondContact O-CB 3.23Å; P2155-W2159 PolarHBondContact O-N 3.16Å; P2155-W2159 VanDerWaalsContact O-N 3.08Å |
| 2156 | L | 89.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.8 | -40.7 | 175.6 | -179.4 | 63.2 | 0 | 0 | 0 | 110.7 | W2034 I2038 P2039 L2042 I2139 L2153 H2154 W2159 A2160 F2227 | W2034-L2156 HydrophobicContact CB-CB 4.5Å; W2034-L2156 HydrophobicContact CE3-CD2 4.09Å; W2034-L2156 HydrophobicContact CZ3-CD2 4.28Å; W2034-L2156 WeakPolarHBondContact O-CA 3.22Å; W2034-L2156 PolarHBondContact O-N 3.26Å; I2038-L2156 HydrophobicContact CG2-CD1 4.02Å; I2038-L2156 HydrophobicContact CG2-CD2 4.37Å; P2039-L2156 HydrophobicContact CG-CD1 3.95Å; L2042-L2156 HydrophobicContact CD1-CD1 4.3Å; I2139-L2156 HydrophobicContact CD1-CD2 3.96Å; L2153-L2156 WeakPolarHBondContact O-CB 3.37Å; L2153-L2156 PolarHBondContact O-N 3.06Å; H2154-L2156 VanDerWaalsContact C-N 3.3Å; H2154-L2156 PolarHBondContact O-N 3.07Å; L2156-W2159 HydrophobicContact CD1-CE3 3.86Å; L2156-W2159 HydrophobicContact CD1-CZ3 4.13Å; L2156-W2159 PolarHBondContact O-N 2.85Å; L2156-A2160 WeakPolarHBondContact O-CB 3.49Å; L2156-A2160 PolarHBondContact O-N 3.23Å; L2156-F2227 HydrophobicContact CB-CE2 4.4Å; L2156-F2227 HydrophobicContact CD2-CD2 4.43Å; L2156-F2227 HydrophobicContact CD2-CE2 4.06Å; L2156-F2227 HydrophobicContact CG-CE2 4.3Å |
| 2157 | W | 87 | Confident | 81.8 | Confident | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.015 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64 | -48 | 174.2 | 176.3 | -100.9 | 0 | 0 | 0 | 112.1 | E1813 L2153 H2154 W2159 A2160 I2161 C2224 F2227 L2238 L2242 | E1813-W2157 PolarHBondContact OE2-NE1 3.25Å; L2153-W2157 PolarHBondContact O-N 3.22Å; H2154-W2157 PolarHBondContact O-N 3.1Å; W2157-W2159 VanDerWaalsContact C-N 3.28Å; W2157-W2159 PolarHBondContact O-N 3.09Å; W2157-A2160 PolarHBondContact O-N 3.06Å; W2157-A2160 VanDerWaalsContact O-N 3.11Å; W2157-I2161 HydrophobicContact CD2-CG1 4.04Å; W2157-I2161 HydrophobicContact CG-CG1 4.43Å; W2157-I2161 HydrophobicContact CH2-CD1 3.99Å; W2157-I2161 HydrophobicContact CH2-CG1 4.44Å; W2157-I2161 HydrophobicContact CZ2-CD1 3.78Å; W2157-I2161 VanDerWaalsContact CZ2-CD1 3.49Å; W2157-I2161 HydrophobicContact CZ2-CG1 3.97Å; W2157-I2161 WeakPolarHBondContact O-CB 3.48Å; W2157-I2161 WeakPolarHBondContact O-CG1 3.2Å; W2157-I2161 VanDerWaalsContact O-CG2 3.28Å; W2157-I2161 WeakPolarHBondContact O-CG2 3.37Å; W2157-I2161 PolarHBondContact O-N 3.34Å; W2157-C2224 HydrophobicContact CH2-CB 4.37Å; W2157-C2224 HydrophobicContact CZ3-CB 4.21Å; W2157-F2227 HydrophobicContact CB-CE1 4.36Å; W2157-F2227 HydrophobicContact CB-CE2 4.38Å; W2157-F2227 HydrophobicContact CB-CZ 4.12Å; W2157-F2227 HydrophobicContact CD2-CD1 4.45Å; W2157-F2227 HydrophobicContact CD2-CE1 4.45Å; W2157-F2227 HydrophobicContact CE3-CB 4.25Å; W2157-F2227 AromaticContact CE3-CD1 3.65Å; W2157-F2227 HydrophobicContact CE3-CD1 3.65Å; W2157-F2227 AromaticContact CE3-CE1 3.92Å; W2157-F2227 HydrophobicContact CE3-CE1 4.05Å; W2157-F2227 AromaticContact CE3-CG 3.93Å; W2157-F2227 HydrophobicContact CE3-CG 3.93Å; W2157-F2227 HydrophobicContact CZ3-CB 4.21Å; W2157-F2227 AromaticContact CZ3-CD1 3.91Å; W2157-F2227 HydrophobicContact CZ3-CD1 4.07Å; W2157-F2227 HydrophobicContact CZ3-CG 4.33Å; W2157-L2238 HydrophobicContact CD2-CD1 4.19Å; W2157-L2238 HydrophobicContact CD2-CD2 4.19Å; W2157-L2238 HydrophobicContact CE3-CD1 4.06Å; W2157-L2238 HydrophobicContact CH2-CB 3.82Å; W2157-L2238 HydrophobicContact CH2-CD1 4.24Å; W2157-L2238 HydrophobicContact CH2-CD2 4.32Å; W2157-L2238 HydrophobicContact CH2-CG 4.36Å; W2157-L2238 HydrophobicContact CZ2-CB 3.94Å; W2157-L2238 HydrophobicContact CZ2-CD1 4.38Å; W2157-L2238 HydrophobicContact CZ2-CD2 3.7Å; W2157-L2238 HydrophobicContact CZ2-CG 4.22Å; W2157-L2238 HydrophobicContact CZ3-CB 4.17Å; W2157-L2238 HydrophobicContact CZ3-CD1 4.09Å; W2157-L2242 HydrophobicContact CH2-CD1 3.95Å; W2157-L2242 HydrophobicContact CH2-CD2 3.93Å; W2157-L2242 HydrophobicContact CH2-CG 3.84Å; W2157-L2242 HydrophobicContact CZ2-CD2 4.35Å; W2157-L2242 HydrophobicContact CZ2-CG 4.49Å; W2157-L2242 HydrophobicContact CZ3-CD1 4.41Å |
| 2158 | D | 85.2 | Confident | 81.8 | Confident | 42.3333 Ų | 42.3333 | 14.3 Ų | 14.3 | 23% | 0.226 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.2 | -42.9 | 178 | -77.2 | -14.6 | 0 | 0 | 0 | 110.7 | K1816 H2154 I2161 Q2162 | K1816-D2158 IonicContact NZ-OD1 3.1Å; K1816-D2158 IonicContact NZ-OD2 3.7Å; K1816-D2158 PolarHBondContact NZ-OD2 3.26Å; H2154-D2158 IonicContact CD2-OD2 2.91Å; H2154-D2158 IonicContact CE1-OD2 2.72Å; H2154-D2158 IonicContact ND1-OD2 2.99Å; H2154-D2158 PolarHBondContact ND1-OD2 3.39Å; H2154-D2158 WeakPolarHBondContact O-CB 3.42Å; H2154-D2158 PolarHBondContact O-N 3.18Å; D2158-I2161 WeakPolarHBondContact O-CG2 3.26Å; D2158-Q2162 VanDerWaalsContact O-CB 3.24Å; D2158-Q2162 WeakPolarHBondContact O-CB 3.4Å; D2158-Q2162 PolarHBondContact O-N 3.12Å; D2158-Q2162 VanDerWaalsContact O-N 3.15Å |
| 2159 | W | 88 | Confident | 81.3 | Confident | 13 Ų | 13 | 20.3 Ų | 20.3 | 5% | 0.049 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 174 | 169.8 | 71 | 0 | 0 | 0 | 112.8 | P2039 L2042 P2155 L2156 W2157 Q2162 G2163 P2203 S2204 L2207 F2219 Y2220 L2223 | P2039-W2159 HydrophobicContact CB-CD2 3.72Å; P2039-W2159 HydrophobicContact CB-CE3 3.94Å; P2039-W2159 HydrophobicContact CB-CG 4.23Å; P2039-W2159 HydrophobicContact CB-CH2 4.1Å; P2039-W2159 HydrophobicContact CB-CZ2 3.95Å; P2039-W2159 HydrophobicContact CB-CZ3 4.1Å; P2039-W2159 HydrophobicContact CG-CB 4.49Å; P2039-W2159 HydrophobicContact CG-CD2 3.9Å; P2039-W2159 HydrophobicContact CG-CE3 3.9Å; P2039-W2159 HydrophobicContact CG-CG 4.19Å; P2039-W2159 HydrophobicContact CG-CZ3 4.36Å; L2042-W2159 HydrophobicContact CB-CH2 4.46Å; L2042-W2159 HydrophobicContact CD1-CZ3 4.24Å; P2155-W2159 WeakPolarHBondContact O-CB 3.23Å; P2155-W2159 PolarHBondContact O-N 3.16Å; P2155-W2159 VanDerWaalsContact O-N 3.08Å; L2156-W2159 HydrophobicContact CD1-CE3 3.86Å; L2156-W2159 HydrophobicContact CD1-CZ3 4.13Å; L2156-W2159 PolarHBondContact O-N 2.85Å; W2157-W2159 VanDerWaalsContact C-N 3.28Å; W2157-W2159 PolarHBondContact O-N 3.09Å; W2159-Q2162 PolarHBondContact O-N 3.1Å; W2159-G2163 PolarHBondContact O-N 2.91Å; W2159-P2203 HydrophobicContact CZ2-CB 4.23Å; W2159-S2204 PolarHBondContact NE1-OG 3.45Å; W2159-S2204 VanDerWaalsContact NE1-OG 3.14Å; W2159-L2207 HydrophobicContact CZ2-CD1 4.27Å; W2159-F2219 AromaticContact CH2-CE1 3.79Å; W2159-F2219 HydrophobicContact CH2-CE1 3.79Å; W2159-F2219 HydrophobicContact CH2-CZ 4.17Å; W2159-F2219 HydrophobicContact CZ2-CE1 4.45Å; W2159-F2219 HydrophobicContact CZ3-CE1 4.49Å; W2159-Y2220 HydrophobicContact CD2-CE1 4.36Å; W2159-Y2220 AromaticContact CE2-CE1 3.87Å; W2159-Y2220 AromaticContact CH2-CE1 3.97Å; W2159-Y2220 HydrophobicContact CH2-CE1 4.01Å; W2159-Y2220 AromaticContact CZ2-CE1 3.68Å; W2159-Y2220 HydrophobicContact CZ2-CE1 3.68Å; W2159-Y2220 HydrophobicContact CZ3-CE1 4.44Å; W2159-L2223 HydrophobicContact CE3-CD2 4.1Å; W2159-L2223 HydrophobicContact CH2-CD2 4.24Å; W2159-L2223 HydrophobicContact CZ3-CD2 3.47Å; W2159-L2223 VanDerWaalsContact CZ3-CD2 3.47Å |
| 2160 | A | 87.8 | Confident | 80 | Confident | 1.66667 Ų | 1.66667 | 24 Ų | 24 | 1% | 0.014 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | L2156 W2157 G2163 L2164 Y2220 L2223 | L2156-A2160 WeakPolarHBondContact O-CB 3.49Å; L2156-A2160 PolarHBondContact O-N 3.23Å; W2157-A2160 PolarHBondContact O-N 3.06Å; W2157-A2160 VanDerWaalsContact O-N 3.11Å; A2160-G2163 PolarHBondContact O-N 3Å; A2160-L2164 WeakPolarHBondContact O-CB 3.47Å; A2160-L2164 PolarHBondContact O-N 2.83Å; A2160-Y2220 WeakPolarHBondContact O-CD1 3.43Å; A2160-L2223 HydrophobicContact CB-CD2 3.51Å; A2160-L2223 HydrophobicContact CB-CG 4.01Å |
| 2161 | I | 84.7 | Confident | 78.6 | Confident | 10 Ų | 10 | 28.6 Ų | 28.6 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.9 | -40.6 | 178.5 | -95.1 | -37.1 | 0 | 0 | 0 | 111.2 | W2157 D2158 G2163 L2164 I2165 L2242 Y2245 | W2157-I2161 HydrophobicContact CD2-CG1 4.04Å; W2157-I2161 HydrophobicContact CG-CG1 4.43Å; W2157-I2161 HydrophobicContact CH2-CD1 3.99Å; W2157-I2161 HydrophobicContact CH2-CG1 4.44Å; W2157-I2161 HydrophobicContact CZ2-CD1 3.78Å; W2157-I2161 VanDerWaalsContact CZ2-CD1 3.49Å; W2157-I2161 HydrophobicContact CZ2-CG1 3.97Å; W2157-I2161 WeakPolarHBondContact O-CB 3.48Å; W2157-I2161 WeakPolarHBondContact O-CG1 3.2Å; W2157-I2161 VanDerWaalsContact O-CG2 3.28Å; W2157-I2161 WeakPolarHBondContact O-CG2 3.37Å; W2157-I2161 PolarHBondContact O-N 3.34Å; D2158-I2161 WeakPolarHBondContact O-CG2 3.26Å; I2161-G2163 VanDerWaalsContact C-N 3.34Å; I2161-G2163 PolarHBondContact O-N 3.14Å; I2161-L2164 HydrophobicContact CD1-CD2 4.29Å; I2161-L2164 WeakPolarHBondContact O-CB 3.25Å; I2161-L2164 PolarHBondContact O-N 3Å; I2161-I2165 HydrophobicContact CG1-CD1 4.27Å; I2161-I2165 HydrophobicContact CG2-CD1 3.72Å; I2161-I2165 HydrophobicContact CG2-CG1 4.34Å; I2161-I2165 WeakPolarHBondContact O-CD1 3.25Å; I2161-I2165 VanDerWaalsContact O-CG1 3.25Å; I2161-I2165 WeakPolarHBondContact O-CG1 3.34Å; I2161-I2165 PolarHBondContact O-N 2.97Å; I2161-L2242 HydrophobicContact CD1-CD2 3.81Å; I2161-Y2245 HydrophobicContact CD1-CD2 4.01Å; I2161-Y2245 HydrophobicContact CD1-CE2 3.96Å; I2161-Y2245 HydrophobicContact CG1-CE2 3.95Å; I2161-Y2245 HydrophobicContact CG2-CD2 4.43Å; I2161-Y2245 HydrophobicContact CG2-CE1 4.4Å; I2161-Y2245 HydrophobicContact CG2-CE2 3.81Å |
| 2162 | Q | 83.3 | Confident | 76.7 | Confident | 48 Ų | 48 | 35.1 Ų | 35.1 | 22% | 0.224 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 175 | -176.5 | 146.2 | 26.4 | 0 | 0 | 111.1 | D2158 W2159 L2164 I2165 D2166 H2187 T2188 | D2158-Q2162 VanDerWaalsContact O-CB 3.24Å; D2158-Q2162 WeakPolarHBondContact O-CB 3.4Å; D2158-Q2162 PolarHBondContact O-N 3.12Å; D2158-Q2162 VanDerWaalsContact O-N 3.15Å; W2159-Q2162 PolarHBondContact O-N 3.1Å; Q2162-L2164 VanDerWaalsContact C-N 3.28Å; Q2162-L2164 PolarHBondContact O-N 3.07Å; Q2162-I2165 PolarHBondContact O-N 3.2Å; Q2162-I2165 VanDerWaalsContact O-N 3.16Å; Q2162-D2166 VanDerWaalsContact CG-OD2 3.23Å; Q2162-D2166 WeakPolarHBondContact CG-OD2 3.36Å; Q2162-D2166 PolarHBondContact NE2-OD1 3.06Å; Q2162-D2166 PolarHBondContact NE2-OD2 3.11Å; Q2162-D2166 WeakPolarHBondContact O-CB 3.26Å; Q2162-D2166 VanDerWaalsContact O-CG 3.23Å; Q2162-D2166 PolarHBondContact O-N 3.27Å; Q2162-H2187 PolarHBondContact NE2-CD2 3.45Å; Q2162-T2188 PolarHBondContact OE1-OG1 3.15Å |
| 2163 | G | 81.8 | Confident | 74.4 | Confident | 3.66667 Ų | 3.66667 | 41 Ų | 41 | 4% | 0.038 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.6 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W2159 A2160 I2161 S2167 Y2220 | W2159-G2163 PolarHBondContact O-N 2.91Å; A2160-G2163 PolarHBondContact O-N 3Å; I2161-G2163 VanDerWaalsContact C-N 3.34Å; I2161-G2163 PolarHBondContact O-N 3.14Å; G2163-S2167 VanDerWaalsContact O-CB 3.3Å; G2163-S2167 WeakPolarHBondContact O-CB 3.26Å; G2163-S2167 PolarHBondContact O-N 3.09Å; G2163-S2167 VanDerWaalsContact O-N 3.07Å; G2163-S2167 PolarHBondContact O-OG 3.31Å; G2163-Y2220 VanDerWaalsContact C-CD2 3.44Å; G2163-Y2220 WeakPolarHBondContact O-CD2 3.37Å |
| 2164 | L | 80.5 | Confident | 72.1 | Confident | 4.33333 Ų | 4.33333 | 48 Ų | 48 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -50.8 | 173.2 | -169.6 | 65.5 | 0 | 0 | 0 | 111.1 | A2160 I2161 Q2162 D2166 S2167 Y2168 E2221 L2242 | A2160-L2164 WeakPolarHBondContact O-CB 3.47Å; A2160-L2164 PolarHBondContact O-N 2.83Å; I2161-L2164 HydrophobicContact CD1-CD2 4.29Å; I2161-L2164 WeakPolarHBondContact O-CB 3.25Å; I2161-L2164 PolarHBondContact O-N 3Å; Q2162-L2164 VanDerWaalsContact C-N 3.28Å; Q2162-L2164 PolarHBondContact O-N 3.07Å; L2164-D2166 PolarHBondContact O-N 3.2Å; L2164-S2167 WeakPolarHBondContact O-CB 2.89Å; L2164-S2167 PolarHBondContact O-N 3.14Å; L2164-S2167 VanDerWaalsContact O-N 3.15Å; L2164-S2167 PolarHBondContact O-OG 3.45Å; L2164-Y2168 HydrophobicContact CD1-CD2 4.19Å; L2164-Y2168 HydrophobicContact CD1-CE2 3.88Å; L2164-Y2168 HydrophobicContact CG-CD2 4.13Å; L2164-Y2168 HydrophobicContact CG-CE2 3.94Å; L2164-Y2168 VanDerWaalsContact O-CD2 3.31Å; L2164-Y2168 WeakPolarHBondContact O-CD2 3.45Å; L2164-Y2168 PolarHBondContact O-N 3.06Å; L2164-Y2168 VanDerWaalsContact O-N 3.14Å; L2164-E2221 HydrophobicContact CD1-CB 3.86Å; L2164-E2221 HydrophobicContact CD1-CG 4.35Å; L2164-L2242 HydrophobicContact CD2-CD2 3.93Å |
| 2165 | I | 77.3 | Confident | 69.7 | Low | 34 Ų | 34 | 55 Ų | 55 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 179.7 | -66.2 | 164.9 | 0 | 0 | 0 | 111.7 | I2161 Q2162 S2167 Y2168 K2169 Y2245 | I2161-I2165 HydrophobicContact CG1-CD1 4.27Å; I2161-I2165 HydrophobicContact CG2-CD1 3.72Å; I2161-I2165 HydrophobicContact CG2-CG1 4.34Å; I2161-I2165 WeakPolarHBondContact O-CD1 3.25Å; I2161-I2165 VanDerWaalsContact O-CG1 3.25Å; I2161-I2165 WeakPolarHBondContact O-CG1 3.34Å; I2161-I2165 PolarHBondContact O-N 2.97Å; Q2162-I2165 PolarHBondContact O-N 3.2Å; Q2162-I2165 VanDerWaalsContact O-N 3.16Å; I2165-S2167 PolarHBondContact O-N 3.27Å; I2165-Y2168 VanDerWaalsContact O-CB 3.32Å; I2165-Y2168 WeakPolarHBondContact O-CB 3.46Å; I2165-Y2168 PolarHBondContact O-N 3.01Å; I2165-K2169 HydrophobicContact CG2-CD 4.27Å; I2165-K2169 HydrophobicContact CG2-CG 4.46Å; I2165-K2169 PolarHBondContact O-N 3.09Å; I2165-Y2245 HydrophobicContact CD1-CD1 4.35Å; I2165-Y2245 HydrophobicContact CD1-CE1 3.91Å; I2165-Y2245 HydrophobicContact CD1-CE2 4.13Å; I2165-Y2245 WeakPolarHBondContact CD1-OH 3.19Å; I2165-Y2245 HydrophobicContact CG1-CD1 4.36Å; I2165-Y2245 HydrophobicContact CG1-CE1 4.12Å; I2165-Y2245 HydrophobicContact CG1-CE2 4.36Å |
| 2166 | D | 74.9 | Confident | 67.2 | Low | 37.3333 Ų | 37.3333 | 60.9 Ų | 60.9 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -32.6 | -179.3 | -68.5 | -22.9 | 0 | 0 | 0 | 111.2 | Q2162 L2164 Y2168 K2169 N2170 H2187 | Q2162-D2166 VanDerWaalsContact CG-OD2 3.23Å; Q2162-D2166 WeakPolarHBondContact CG-OD2 3.36Å; Q2162-D2166 PolarHBondContact NE2-OD1 3.06Å; Q2162-D2166 PolarHBondContact NE2-OD2 3.11Å; Q2162-D2166 WeakPolarHBondContact O-CB 3.26Å; Q2162-D2166 VanDerWaalsContact O-CG 3.23Å; Q2162-D2166 PolarHBondContact O-N 3.27Å; L2164-D2166 PolarHBondContact O-N 3.2Å; D2166-Y2168 VanDerWaalsContact C-N 3.3Å; D2166-Y2168 PolarHBondContact O-N 3.02Å; D2166-K2169 PolarHBondContact O-N 3.11Å; D2166-N2170 WeakPolarHBondContact O-CB 3.37Å; D2166-N2170 VanDerWaalsContact O-CG 3.28Å; D2166-N2170 PolarHBondContact O-N 3.25Å; D2166-N2170 PolarHBondContact O-ND2 3.08Å; D2166-H2187 IonicContact OD2-CD2 3.62Å; D2166-H2187 PolarHBondContact OD2-CD2 3.45Å; D2166-H2187 VanDerWaalsContact OD2-CD2 3.3Å; D2166-H2187 IonicContact OD2-NE2 3.36Å |
| 2167 | S | 70.8 | Confident | 65 | Low | 1.66667 Ų | 1.66667 | 66.6 Ų | 66.6 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.3 | -23.5 | 174.1 | 51 | 0 | 0 | 0 | 0 | 113.3 | G2163 L2164 I2165 R2217 | G2163-S2167 VanDerWaalsContact O-CB 3.3Å; G2163-S2167 WeakPolarHBondContact O-CB 3.26Å; G2163-S2167 PolarHBondContact O-N 3.09Å; G2163-S2167 VanDerWaalsContact O-N 3.07Å; G2163-S2167 PolarHBondContact O-OG 3.31Å; L2164-S2167 WeakPolarHBondContact O-CB 2.89Å; L2164-S2167 PolarHBondContact O-N 3.14Å; L2164-S2167 VanDerWaalsContact O-N 3.15Å; L2164-S2167 PolarHBondContact O-OG 3.45Å; I2165-S2167 PolarHBondContact O-N 3.27Å; S2167-R2217 VanDerWaalsContact CB-CG 3.44Å; S2167-R2217 VanDerWaalsContact O-CZ 3.26Å; S2167-R2217 PolarHBondContact O-NE 3.23Å; S2167-R2217 PolarHBondContact O-NH2 2.83Å; S2167-R2217 WeakPolarHBondContact OG-CG 3.41Å |
| 2168 | Y | 65.9 | Low | 62.5 | Low | 39.3333 Ų | 39.3333 | 74.8 Ų | 74.8 | 15% | 0.154 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -88.2 | -35.8 | 175.6 | -77.5 | -70.6 | 0 | 0 | 0 | 113.8 | L2164 I2165 D2166 N2170 D2171 Y2249 | L2164-Y2168 HydrophobicContact CD1-CD2 4.19Å; L2164-Y2168 HydrophobicContact CD1-CE2 3.88Å; L2164-Y2168 HydrophobicContact CG-CD2 4.13Å; L2164-Y2168 HydrophobicContact CG-CE2 3.94Å; L2164-Y2168 VanDerWaalsContact O-CD2 3.31Å; L2164-Y2168 WeakPolarHBondContact O-CD2 3.45Å; L2164-Y2168 PolarHBondContact O-N 3.06Å; L2164-Y2168 VanDerWaalsContact O-N 3.14Å; I2165-Y2168 VanDerWaalsContact O-CB 3.32Å; I2165-Y2168 WeakPolarHBondContact O-CB 3.46Å; I2165-Y2168 PolarHBondContact O-N 3.01Å; D2166-Y2168 VanDerWaalsContact C-N 3.3Å; D2166-Y2168 PolarHBondContact O-N 3.02Å; Y2168-N2170 VanDerWaalsContact C-N 3.25Å; Y2168-N2170 PolarHBondContact O-N 3.1Å; Y2168-D2171 PolarHBondContact O-N 3.21Å; Y2168-Y2249 HydrophobicContact CD1-CD1 4.06Å; Y2168-Y2249 AromaticContact CD1-CD2 3.73Å; Y2168-Y2249 HydrophobicContact CD1-CD2 3.97Å; Y2168-Y2249 HydrophobicContact CD1-CE1 4.3Å; Y2168-Y2249 HydrophobicContact CD1-CE2 4.01Å; Y2168-Y2249 AromaticContact CD1-CG 3.79Å; Y2168-Y2249 HydrophobicContact CD1-CG 3.91Å; Y2168-Y2249 AromaticContact CD2-CD2 3.66Å; Y2168-Y2249 HydrophobicContact CD2-CD2 3.85Å; Y2168-Y2249 AromaticContact CD2-CE2 3.85Å; Y2168-Y2249 HydrophobicContact CD2-CE2 3.85Å; Y2168-Y2249 HydrophobicContact CD2-CG 4.25Å; Y2168-Y2249 AromaticContact CE1-CD2 3.98Å; Y2168-Y2249 HydrophobicContact CE1-CD2 3.98Å; Y2168-Y2249 HydrophobicContact CE1-CG 4.13Å; Y2168-Y2249 HydrophobicContact CE2-CD2 4.28Å; Y2168-Y2249 HydrophobicContact CE2-CE2 4.33Å; Y2168-Y2249 HydrophobicContact CG-CD1 4.31Å; Y2168-Y2249 AromaticContact CG-CD2 3.71Å; Y2168-Y2249 HydrophobicContact CG-CD2 3.71Å; Y2168-Y2249 HydrophobicContact CG-CE1 4.16Å; Y2168-Y2249 AromaticContact CG-CE2 3.56Å; Y2168-Y2249 HydrophobicContact CG-CE2 3.85Å; Y2168-Y2249 AromaticContact CG-CG 3.75Å; Y2168-Y2249 HydrophobicContact CG-CG 3.97Å; Y2168-Y2249 AromaticContact CG-CZ 3.77Å |
| 2169 | K | 64.9 | Low | 60.2 | Low | 137.333 Ų | 137.333 | 80.9 Ų | 80.9 | 60% | 0.597 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.6 | -4.3 | 177.2 | -74.3 | 179.5 | 179.5 | 173.1 | 0 | 111.7 | I2165 D2166 D2171 N2172 | I2165-K2169 HydrophobicContact CG2-CD 4.27Å; I2165-K2169 HydrophobicContact CG2-CG 4.46Å; I2165-K2169 PolarHBondContact O-N 3.09Å; D2166-K2169 PolarHBondContact O-N 3.11Å; K2169-D2171 PolarHBondContact O-N 3Å; K2169-D2171 VanDerWaalsContact O-N 3.11Å; K2169-N2172 PolarHBondContact O-N 3.1Å |
| 2170 | N | 52.9 | Low | 57.6 | Low | 91.6667 Ų | 91.6667 | 86.9 Ų | 86.9 | 49% | 0.49 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -67 | 25.9 | 179.7 | -78.8 | -26.4 | 0 | 0 | 0 | 113.4 | D2166 Y2168 N2172 N2173 L2213 | D2166-N2170 WeakPolarHBondContact O-CB 3.37Å; D2166-N2170 VanDerWaalsContact O-CG 3.28Å; D2166-N2170 PolarHBondContact O-N 3.25Å; D2166-N2170 PolarHBondContact O-ND2 3.08Å; Y2168-N2170 VanDerWaalsContact C-N 3.25Å; Y2168-N2170 PolarHBondContact O-N 3.1Å; N2170-N2172 VanDerWaalsContact C-N 3.27Å; N2170-N2172 PolarHBondContact O-N 3.44Å; N2170-N2173 PolarHBondContact O-N 3.17Å; N2170-N2173 VanDerWaalsContact O-O 3.13Å; N2170-L2213 HydrophobicContact CB-CD1 4Å; N2170-L2213 HydrophobicContact CB-CD2 4.23Å |
| 2171 | D | 48.8 | Very low | 55.2 | Low | 101 Ų | 101 | 91.5 Ų | 91.5 | 54% | 0.54 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -69.8 | 8.8 | 167.3 | -88 | -14.9 | 0 | 0 | 0 | 111.5 | S2116 Y2168 K2169 R2217 | S2116-D2171 WeakPolarHBondContact CB-OD2 3.41Å; S2116-D2171 PolarHBondContact OG-OD2 3.38Å; Y2168-D2171 PolarHBondContact O-N 3.21Å; K2169-D2171 PolarHBondContact O-N 3Å; K2169-D2171 VanDerWaalsContact O-N 3.11Å; D2171-R2217 IonicContact OD1-CZ 3.62Å; D2171-R2217 IonicContact OD1-NH1 3.95Å; D2171-R2217 PolarHBondContact OD1-NH1 2.79Å; D2171-R2217 IonicContact OD1-NH2 2.77Å; D2171-R2217 PolarHBondContact OD1-NH2 3.07Å; D2171-R2217 IonicContact OD2-CZ 2.76Å; D2171-R2217 IonicContact OD2-NH1 3.41Å; D2171-R2217 PolarHBondContact OD2-NH1 2.83Å; D2171-R2217 VanDerWaalsContact OD2-NH1 3.09Å; D2171-R2217 IonicContact OD2-NH2 3.7Å |
| 2172 | N | 41.6 | Very low | 53.1 | Low | 146.667 Ų | 146.667 | 94.5 Ų | 94.5 | 78% | 0.784 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -97.7 | 28.1 | 170.9 | -84.9 | -13.4 | 0 | 0 | 0 | 112.6 | K2169 N2170 | K2169-N2172 PolarHBondContact O-N 3.1Å; N2170-N2172 VanDerWaalsContact C-N 3.27Å; N2170-N2172 PolarHBondContact O-N 3.44Å |
| 2173 | N | 38 | Very low | 51.4 | Low | 131 Ų | 131 | 95.1 Ų | 95.1 | 70% | 0.701 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -140.3 | 103.6 | 172.8 | -77.4 | -22.2 | 0 | 0 | 0 | 113.2 | N2170 | N2170-N2173 PolarHBondContact O-N 3.17Å; N2170-N2173 VanDerWaalsContact O-O 3.13Å |
| 2174 | N | 36.7 | Very low | 49.7 | Very low | 150.333 Ų | 150.333 | 103.3 Ų | 103.3 | 80% | 0.804 | 55% | 0.548 | S | S | * | . | trans | 179.7 | 121.1 | 136.9 | -83.3 | -29.1 | 0 | 0 | 0 | 112.6 | N2176 | N2174-N2176 VanDerWaalsContact C-N 3.32Å; N2174-N2176 PolarHBondContact O-N 3.1Å | ||
| 2175 | N | 37.4 | Very low | 48.7 | Very low | 151 Ų | 151 | 104.8 Ų | 104.8 | 81% | 0.807 | 56% | 0.559 | S | S | * | * | trans | -61.3 | 59.8 | 170.8 | -73.7 | -32.4 | 0 | 0 | 0 | 113.9 | P2177 | N2175-P2177 VanDerWaalsContact O-CD 3.32Å; N2175-P2177 WeakPolarHBondContact O-CD 3.18Å | ||
| 2176 | N | 34.9 | Very low | 47.8 | Very low | 129.333 Ų | 129.333 | 112.5 Ų | 112.5 | 69% | 0.692 | 59% | 0.594 | S | S | * | * | trans | -112.3 | 93.7 | 168.3 | -90.2 | -11.5 | 0 | 0 | 0 | 110.1 | N2174 Q2178 | N2174-N2176 VanDerWaalsContact C-N 3.32Å; N2174-N2176 PolarHBondContact O-N 3.1Å; N2176-Q2178 PolarHBondContact O-N 3Å; N2176-Q2178 VanDerWaalsContact O-N 3.12Å | ||
| 2177 | P | 41.5 | Very low | 47.4 | Very low | 120.333 Ų | 120.333 | 112.9 Ų | 112.9 | 78% | 0.781 | 60% | 0.595 | S | S | * | * | trans | -72.3 | 12.1 | 174.2 | 30.5 | -33.7 | 0 | 0 | 0 | 113.3 | N2175 M2179 | N2175-P2177 VanDerWaalsContact O-CD 3.32Å; N2175-P2177 WeakPolarHBondContact O-CD 3.18Å; P2177-M2179 PolarHBondContact O-N 2.9Å | ||
| 2178 | Q | 35.3 | Very low | 46.6 | Very low | 177 Ų | 177 | 116.7 Ų | 116.7 | 83% | 0.827 | 62% | 0.618 | S | S | * | * | trans | -99.3 | 50.2 | 177.2 | -72.2 | -172.5 | -16 | 0 | 0 | 112.5 | N2176 N2180 | N2176-Q2178 PolarHBondContact O-N 3Å; N2176-Q2178 VanDerWaalsContact O-N 3.12Å; Q2178-N2180 VanDerWaalsContact C-N 3.27Å; Q2178-N2180 PolarHBondContact O-N 2.99Å | ||
| 2179 | M | 36.6 | Very low | 46.1 | Very low | 169.667 Ų | 169.667 | 117.1 Ų | 117.1 | 84% | 0.836 | 62% | 0.622 | S | S | * | * | trans | -85.8 | 95.8 | 154.9 | -87.9 | -92.1 | -179.8 | 0 | 0 | 106.9 | P2177 P2181 | P2177-M2179 PolarHBondContact O-N 2.9Å; M2179-P2181 WeakPolarHBondContact O-CD 3.25Å; M2179-P2181 VanDerWaalsContact O-N 3.16Å | ||
| 2180 | N | 34.1 | Very low | 45.4 | Very low | 138.667 Ų | 138.667 | 113.8 Ų | 113.8 | 74% | 0.742 | 61% | 0.611 | S | S | * | * | trans | -50 | 129.3 | 165.8 | -89.5 | -24.1 | 0 | 0 | 0 | 108.4 | Q2178 S2182 | Q2178-N2180 VanDerWaalsContact C-N 3.27Å; Q2178-N2180 PolarHBondContact O-N 2.99Å; N2180-S2182 PolarHBondContact O-N 3.26Å | ||
| 2181 | P | 37.9 | Very low | 45.4 | Very low | 98.3333 Ų | 98.3333 | 115.6 Ų | 115.6 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | trans | -74.6 | 44.4 | 179.7 | 30.1 | -33.3 | 0 | 0 | 0 | 111.1 | M2179 | M2179-P2181 WeakPolarHBondContact O-CD 3.25Å; M2179-P2181 VanDerWaalsContact O-N 3.16Å | ||
| 2182 | S | 40 | Very low | 45.4 | Very low | 73.6667 Ų | 73.6667 | 116.8 Ų | 116.8 | 52% | 0.515 | 62% | 0.621 | S | S | . | * | trans | -81 | 120 | 178.7 | 58 | 0 | 0 | 0 | 0 | 111.3 | N2180 F2184 C2185 | N2180-S2182 PolarHBondContact O-N 3.26Å; S2182-F2184 PolarHBondContact O-N 3.01Å; S2182-C2185 PolarHBondContact O-N 3.06Å | ||
| 2183 | S | 47.1 | Very low | 45.9 | Very low | 61.3333 Ų | 61.3333 | 111.1 Ų | 111.1 | 43% | 0.429 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -77.8 | -1.6 | -177.5 | 50.8 | 0 | 0 | 0 | 0 | 116.6 | K2191 | S2183-K2191 PolarHBondContact O-NZ 2.73Š|
| 2184 | F | 45.4 | Very low | 46.5 | Very low | 175 Ų | 175 | 108.4 Ų | 108.4 | 77% | 0.768 | 59% | 0.593 | S | S | * | * | trans | -127 | 43.2 | -178.1 | -62.4 | -80.1 | 0 | 0 | 0 | 112.5 | S2182 Q2186 | S2182-F2184 PolarHBondContact O-N 3.01Å; F2184-Q2186 PolarHBondContact O-N 2.87Å | ||
| 2185 | C | 61.5 | Low | 47.4 | Very low | 36.3333 Ų | 36.3333 | 103.1 Ų | 103.1 | 25% | 0.245 | 56% | 0.564 | C | S | . | * | trans | -67.4 | 136.2 | 170.2 | 87.5 | 0 | 0 | 0 | 0 | 109.6 | S2182 H2187 T2188 C2202 | S2182-C2185 PolarHBondContact O-N 3.06Å; C2185-H2187 WeakPolarHBondContact CB-ND1 3.41Å; C2185-H2187 PolarHBondContact O-N 3.07Å; C2185-H2187 VanDerWaalsContact O-N 3.09Å; C2185-H2187 PolarHBondContact SG-ND1 3.39Å; C2185-H2187 VanDerWaalsContact SG-ND1 3.44Å; C2185-T2188 PolarHBondContact O-N 3.08Å; C2185-T2188 VanDerWaalsContact O-N 3.16Å; C2185-T2188 PolarHBondContact O-OG1 2.84Å; C2185-C2202 HydrophobicContact CB-CB 4.35Å; C2185-C2202 WeakPolarHBondContact SG-CB 3.3Å; C2185-C2202 VanDerWaalsContact SG-SG 3.66Å | ||
| 2186 | Q | 57.5 | Low | 48.1 | Very low | 195.667 Ų | 195.667 | 101.8 Ų | 101.8 | 91% | 0.914 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -4.6 | 179.3 | -68.6 | -175.8 | -9.3 | 0 | 0 | 113.6 | F2184 T2188 | F2184-Q2186 PolarHBondContact O-N 2.87Å; Q2186-T2188 VanDerWaalsContact C-N 3.3Å |
| 2187 | H | 65.9 | Low | 48.8 | Very low | 45.6667 Ų | 45.6667 | 97.8 Ų | 97.8 | 21% | 0.211 | 54% | 0.544 | C | S | . | . | S | Bend | trans | -70 | 119.2 | 178.8 | -49.1 | 105.1 | 0 | 0 | 0 | 111.6 | Q2162 D2166 C2185 I2189 C2202 | Q2162-H2187 PolarHBondContact NE2-CD2 3.45Å; D2166-H2187 IonicContact OD2-CD2 3.62Å; D2166-H2187 PolarHBondContact OD2-CD2 3.45Å; D2166-H2187 VanDerWaalsContact OD2-CD2 3.3Å; D2166-H2187 IonicContact OD2-NE2 3.36Å; C2185-H2187 WeakPolarHBondContact CB-ND1 3.41Å; C2185-H2187 PolarHBondContact O-N 3.07Å; C2185-H2187 VanDerWaalsContact O-N 3.09Å; C2185-H2187 PolarHBondContact SG-ND1 3.39Å; C2185-H2187 VanDerWaalsContact SG-ND1 3.44Å; H2187-I2189 PolarHBondContact O-N 3.17Å; H2187-C2202 PolarHBondContact ND1-SG 3.34Å; H2187-C2202 VanDerWaalsContact ND1-SG 3.4Å |
| 2188 | T | 55.1 | Low | 49.5 | Very low | 81 Ų | 81 | 94 Ų | 94 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -68.9 | 86.8 | -177.1 | 37 | 0 | 0 | 0 | 0 | 111.6 | Q2162 C2185 Q2186 N2190 C2202 | Q2162-T2188 PolarHBondContact OE1-OG1 3.15Å; C2185-T2188 PolarHBondContact O-N 3.08Å; C2185-T2188 VanDerWaalsContact O-N 3.16Å; C2185-T2188 PolarHBondContact O-OG1 2.84Å; Q2186-T2188 VanDerWaalsContact C-N 3.3Å; T2188-N2190 PolarHBondContact O-N 3.13Å; T2188-C2202 HydrophobicContact CG2-CB 4.35Å |
| 2189 | I | 54.6 | Low | 50.5 | Low | 49 Ų | 49 | 88.3 Ų | 88.3 | 25% | 0.251 | 49% | 0.49 | S | S | . | . | trans | -83.5 | 102.5 | 162 | -59.4 | 176.1 | 0 | 0 | 0 | 105.8 | Y2031 G2035 C2036 H2187 K2191 C2202 | Y2031-I2189 HydrophobicContact CD1-CG2 4.12Å; Y2031-I2189 HydrophobicContact CE1-CG2 3.15Å; Y2031-I2189 WeakPolarHBondContact OH-CG2 3.49Å; G2035-I2189 WeakPolarHBondContact O-CD1 3.49Å; C2036-I2189 VanDerWaalsContact SG-CG2 3.6Å; H2187-I2189 PolarHBondContact O-N 3.17Å; I2189-K2191 PolarHBondContact O-N 2.98Å; I2189-C2202 HydrophobicContact CD1-CB 3.58Å | ||
| 2190 | N | 50.8 | Low | 51.4 | Low | 67 Ų | 67 | 85.1 Ų | 85.1 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | trans | -54.5 | 109.5 | -176.5 | -145.6 | 22.2 | 0 | 0 | 0 | 110 | Y2031 T2188 D2192 | Y2031-N2190 HydrophobicContact CE1-CB 4.48Å; Y2031-N2190 WeakPolarHBondContact OH-CB 3.27Å; T2188-N2190 PolarHBondContact O-N 3.13Å; N2190-D2192 VanDerWaalsContact CG-OD2 3.28Å; N2190-D2192 PolarHBondContact ND2-OD2 3.08Å; N2190-D2192 PolarHBondContact O-N 3.2Å; N2190-D2192 VanDerWaalsContact O-N 3.13Å; N2190-D2192 VanDerWaalsContact OD1-CG 3.31Å; N2190-D2192 PolarHBondContact OD1-OD2 2.84Å | ||
| 2191 | K | 51.7 | Low | 53.3 | Low | 130.333 Ų | 130.333 | 80.5 Ų | 80.5 | 57% | 0.567 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -68.4 | -5 | -179.2 | -69.3 | -174.1 | 176.4 | -177.7 | 0 | 112.7 | S2183 I2189 H2193 D2200 | S2183-K2191 PolarHBondContact O-NZ 2.73Å; I2189-K2191 PolarHBondContact O-N 2.98Å; K2191-H2193 PolarHBondContact O-N 3.2Å; K2191-D2200 IonicContact NZ-OD1 3.65Å; K2191-D2200 IonicContact NZ-OD2 3.21Å; K2191-D2200 PolarHBondContact NZ-OD2 3.49Å |
| 2192 | D | 49.1 | Very low | 55.4 | Low | 125 Ų | 125 | 76.2 Ų | 76.2 | 67% | 0.668 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -64.4 | 3 | -173.4 | -70.1 | -14.8 | 0 | 0 | 0 | 116.3 | N2190 | N2190-D2192 VanDerWaalsContact CG-OD2 3.28Å; N2190-D2192 PolarHBondContact ND2-OD2 3.08Å; N2190-D2192 PolarHBondContact O-N 3.2Å; N2190-D2192 VanDerWaalsContact O-N 3.13Å; N2190-D2192 VanDerWaalsContact OD1-CG 3.31Å; N2190-D2192 PolarHBondContact OD1-OD2 2.84Å |
| 2193 | H | 52.2 | Low | 57.5 | Low | 26.6667 Ų | 26.6667 | 73 Ų | 73 | 12% | 0.123 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -103.3 | 10.2 | -175.6 | -63.1 | -39.7 | 0 | 0 | 0 | 115 | R1819 R2027 Y2031 K2191 I2195 | R1819-H2193 PolarHBondContact O-CE1 3.08Å; R2027-H2193 PolarHBondContact NH1-CE1 2.8Å; R2027-H2193 VanDerWaalsContact NH1-CE1 3.35Å; Y2031-H2193 AromaticContact CD1-CD2 3.32Å; Y2031-H2193 WeakPolarHBondContact CD1-CD2 3.27Å; Y2031-H2193 AromaticContact CD1-NE2 3.77Å; Y2031-H2193 AromaticContact CD2-NE2 3.84Å; Y2031-H2193 AromaticContact CE1-CD2 3.38Å; Y2031-H2193 VanDerWaalsContact CE1-CD2 3.49Å; Y2031-H2193 WeakPolarHBondContact CE1-CD2 3.28Å; Y2031-H2193 AromaticContact CE1-NE2 3.68Å; Y2031-H2193 WeakPolarHBondContact CE1-NE2 3.07Å; Y2031-H2193 AromaticContact CE2-NE2 3.8Å; Y2031-H2193 AromaticContact CG-CD2 3.79Å; Y2031-H2193 AromaticContact CG-NE2 3.83Å; Y2031-H2193 AromaticContact CZ-CD2 3.99Å; Y2031-H2193 AromaticContact CZ-NE2 3.71Å; K2191-H2193 PolarHBondContact O-N 3.2Å; H2193-I2195 PolarHBondContact O-N 3.23Å; H2193-I2195 VanDerWaalsContact O-N 3.11Å |
| 2194 | G | 50.2 | Low | 59.3 | Low | 76 Ų | 76 | 70.4 Ų | 70.4 | 78% | 0.784 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 68.9 | 4.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T2196 | G2194-T2196 PolarHBondContact O-N 3.33Š|
| 2195 | I | 55.5 | Low | 61.2 | Low | 37.3333 Ų | 37.3333 | 63.6 Ų | 63.6 | 19% | 0.191 | 36% | 0.361 | C | S | . | . | trans | -89.9 | 109.4 | 170.7 | -59.1 | 173.1 | 0 | 0 | 0 | 106.7 | Q2028 W2029 Y2032 H2193 S2197 | Q2028-I2195 HydrophobicContact CB-CD1 4Å; Q2028-I2195 HydrophobicContact CB-CG1 4.42Å; Q2028-I2195 WeakPolarHBondContact O-CD1 3.41Å; W2029-I2195 HydrophobicContact CD2-CD1 4.17Å; W2029-I2195 HydrophobicContact CE3-CD1 4.23Å; W2029-I2195 HydrophobicContact CG-CD1 4.31Å; W2029-I2195 HydrophobicContact CH2-CD1 4.48Å; W2029-I2195 HydrophobicContact CH2-CG2 4.09Å; W2029-I2195 HydrophobicContact CZ2-CD1 4.39Å; W2029-I2195 HydrophobicContact CZ2-CG2 4.44Å; W2029-I2195 HydrophobicContact CZ3-CD1 4.41Å; W2029-I2195 HydrophobicContact CZ3-CG2 4.34Å; Y2032-I2195 HydrophobicContact CD2-CG2 4.28Å; Y2032-I2195 HydrophobicContact CE2-CG2 4.47Å; Y2032-I2195 HydrophobicContact CG-CD1 4.47Å; H2193-I2195 PolarHBondContact O-N 3.23Å; H2193-I2195 VanDerWaalsContact O-N 3.11Å; I2195-S2197 PolarHBondContact O-N 3.33Å; I2195-S2197 VanDerWaalsContact O-N 3.11Å | ||
| 2196 | T | 52.7 | Low | 62.3 | Low | 124.333 Ų | 124.333 | 62.2 Ų | 62.2 | 76% | 0.763 | 35% | 0.351 | S | S | * | . | trans | -61.9 | 118.9 | 166.3 | 48.6 | 0 | 0 | 0 | 0 | 108 | G2194 I2198 | G2194-T2196 PolarHBondContact O-N 3.33Å; T2196-I2198 PolarHBondContact O-N 3.17Å | ||
| 2197 | S | 50.9 | Low | 63.6 | Low | 45.3333 Ų | 45.3333 | 52.9 Ų | 52.9 | 32% | 0.317 | 31% | 0.307 | S | S | . | . | trans | -52.2 | 129.7 | 176.5 | 22.8 | 0 | 0 | 0 | 0 | 110.2 | I2195 E2199 D2200 | I2195-S2197 PolarHBondContact O-N 3.33Å; I2195-S2197 VanDerWaalsContact O-N 3.11Å; S2197-E2199 VanDerWaalsContact C-N 3.32Å; S2197-E2199 PolarHBondContact O-N 3.23Å; S2197-D2200 WeakPolarHBondContact CB-OD1 3.37Å; S2197-D2200 PolarHBondContact OG-OD1 2.99Å | ||
| 2198 | I | 54.7 | Low | 64.4 | Low | 41 Ų | 41 | 54.1 Ų | 54.1 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -65.6 | -33.2 | -176.5 | -63.7 | 170.9 | 0 | 0 | 0 | 111 | K1975 L1978 E1979 W2029 Y2032 T2196 | K1975-I2198 WeakPolarHBondContact O-CD1 3.4Å; L1978-I2198 HydrophobicContact CB-CD1 4.1Å; E1979-I2198 HydrophobicContact CB-CD1 4.3Å; E1979-I2198 HydrophobicContact CB-CG2 3.61Å; E1979-I2198 VanDerWaalsContact CB-CG2 3.42Å; E1979-I2198 VanDerWaalsContact CD-CG2 3.5Å; E1979-I2198 HydrophobicContact CG-CG2 3.41Å; E1979-I2198 VanDerWaalsContact CG-CG2 3.48Å; W2029-I2198 HydrophobicContact CZ3-CD1 4.37Å; Y2032-I2198 HydrophobicContact CE1-CD1 4.02Å; Y2032-I2198 HydrophobicContact CE1-CG1 4.4Å; Y2032-I2198 WeakPolarHBondContact OH-CB 3.4Å; Y2032-I2198 WeakPolarHBondContact OH-CD1 3.46Å; Y2032-I2198 WeakPolarHBondContact OH-CG1 3.49Å; T2196-I2198 PolarHBondContact O-N 3.17Å |
| 2199 | E | 56.1 | Low | 65.7 | Low | 58 Ų | 58 | 56.9 Ų | 56.9 | 27% | 0.271 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -141.2 | 136.3 | 162.5 | -67.9 | 179.6 | 163.5 | 0 | 0 | 107.5 | Y1983 K1986 R2040 S2197 S2201 | Y1983-E2199 VanDerWaalsContact CZ-OE1 3.32Å; Y1983-E2199 PolarHBondContact OH-OE1 3.21Å; K1986-E2199 IonicContact NZ-OE1 2.64Å; K1986-E2199 PolarHBondContact NZ-OE1 3.46Å; K1986-E2199 IonicContact NZ-OE2 2.86Å; K1986-E2199 PolarHBondContact NZ-OE2 3.21Å; R2040-E2199 IonicContact NH1-OE2 3.8Å; S2197-E2199 VanDerWaalsContact C-N 3.32Å; S2197-E2199 PolarHBondContact O-N 3.23Å; E2199-S2201 PolarHBondContact O-N 3.37Å; E2199-S2201 PolarHBondContact OE2-OG 3.03Å |
| 2200 | D | 57.4 | Low | 67 | Low | 101 Ų | 101 | 57.7 Ų | 57.7 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | trans | -75 | 13.6 | -175 | -86.8 | -7.6 | 0 | 0 | 0 | 114.4 | K2191 S2197 C2202 | K2191-D2200 IonicContact NZ-OD1 3.65Å; K2191-D2200 IonicContact NZ-OD2 3.21Å; K2191-D2200 PolarHBondContact NZ-OD2 3.49Å; S2197-D2200 WeakPolarHBondContact CB-OD1 3.37Å; S2197-D2200 PolarHBondContact OG-OD1 2.99Å; D2200-C2202 PolarHBondContact O-N 3.25Å | ||
| 2201 | S | 72.4 | Confident | 68.5 | Low | 41.5 Ų | 41.5 | 55.2 Ų | 55.2 | 29% | 0.29 | 31% | 0.31 | S | S | . | . | trans | -77.2 | 108.2 | -178.1 | 60.2 | 0 | 0 | 0 | 0 | 111 | R2040 E2199 | R2040-S2201 WeakPolarHBondContact CD-O 3.47Å; E2199-S2201 PolarHBondContact O-N 3.37Å; E2199-S2201 PolarHBondContact OE2-OG 3.03Å | ||
| 2202 | C | 81.9 | Confident | 69.8 | Low | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.054 | 30% | 0.303 | C | S | . | . | trans | -65.8 | 129.4 | 173.9 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | C2185 H2187 T2188 I2189 D2200 S2204 C2205 I2206 | C2185-C2202 HydrophobicContact CB-CB 4.35Å; C2185-C2202 WeakPolarHBondContact SG-CB 3.3Å; C2185-C2202 VanDerWaalsContact SG-SG 3.66Å; H2187-C2202 PolarHBondContact ND1-SG 3.34Å; H2187-C2202 VanDerWaalsContact ND1-SG 3.4Å; T2188-C2202 HydrophobicContact CG2-CB 4.35Å; I2189-C2202 HydrophobicContact CD1-CB 3.58Å; D2200-C2202 PolarHBondContact O-N 3.25Å; C2202-S2204 VanDerWaalsContact C-N 3.29Å; C2202-S2204 PolarHBondContact O-N 2.97Å; C2202-S2204 PolarHBondContact SG-N 3.16Å; C2202-S2204 VanDerWaalsContact SG-N 3.42Å; C2202-C2205 HydrophobicContact CB-CB 3.89Å; C2202-C2205 WeakPolarHBondContact O-CB 3.27Å; C2202-C2205 PolarHBondContact O-N 2.97Å; C2202-C2205 VanDerWaalsContact O-N 3.1Å; C2202-I2206 WeakPolarHBondContact O-CG1 3.43Å; C2202-I2206 PolarHBondContact O-N 3.16Å | ||
| 2203 | P | 85.1 | Confident | 71.3 | Confident | 6.5 Ų | 6.5 | 48.1 Ų | 48.1 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.7 | -38.7 | 179.1 | 22.8 | -33.5 | 0 | 0 | 0 | 113 | P2039 R2040 C2043 W2159 I2206 L2207 | P2039-P2203 HydrophobicContact CB-CB 3.64Å; P2039-P2203 HydrophobicContact CB-CG 3.77Å; R2040-P2203 HydrophobicContact CG-CB 3.96Å; R2040-P2203 HydrophobicContact CG-CG 4.4Å; C2043-P2203 PolarHBondContact SG-O 3.05Å; W2159-P2203 HydrophobicContact CZ2-CB 4.23Å; P2203-I2206 WeakPolarHBondContact O-CB 3.28Å; P2203-I2206 PolarHBondContact O-N 3.2Å; P2203-L2207 PolarHBondContact O-N 3.12Å |
| 2204 | S | 85.2 | Confident | 72.3 | Confident | 7.5 Ų | 7.5 | 49.2 Ų | 49.2 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 176.3 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | W2159 C2202 I2206 L2207 M2208 | W2159-S2204 PolarHBondContact NE1-OG 3.45Å; W2159-S2204 VanDerWaalsContact NE1-OG 3.14Å; C2202-S2204 VanDerWaalsContact C-N 3.29Å; C2202-S2204 PolarHBondContact O-N 2.97Å; C2202-S2204 PolarHBondContact SG-N 3.16Å; C2202-S2204 VanDerWaalsContact SG-N 3.42Å; S2204-I2206 VanDerWaalsContact C-N 3.32Å; S2204-I2206 PolarHBondContact O-N 2.98Å; S2204-L2207 PolarHBondContact O-N 2.86Å; S2204-M2208 VanDerWaalsContact O-CG 3.23Å; S2204-M2208 WeakPolarHBondContact O-CG 3.32Å; S2204-M2208 PolarHBondContact O-N 3.16Å |
| 2205 | C | 84.8 | Confident | 73.7 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 22% | 0.223 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 176.6 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | C2202 L2207 M2208 Q2209 | C2202-C2205 HydrophobicContact CB-CB 3.89Å; C2202-C2205 WeakPolarHBondContact O-CB 3.27Å; C2202-C2205 PolarHBondContact O-N 2.97Å; C2202-C2205 VanDerWaalsContact O-N 3.1Å; C2205-L2207 VanDerWaalsContact C-N 3.34Å; C2205-L2207 PolarHBondContact O-N 2.98Å; C2205-M2208 PolarHBondContact O-N 3.41Å; C2205-Q2209 WeakPolarHBondContact O-CB 3.41Å; C2205-Q2209 PolarHBondContact O-N 3.04Å |
| 2206 | I | 84.1 | Confident | 75 | Confident | 6.5 Ų | 6.5 | 45.9 Ų | 45.9 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -48.5 | 174.1 | -65.5 | 168.9 | 0 | 0 | 0 | 109.9 | R2040 C2043 W2044 I2047 C2202 P2203 S2204 Q2209 H2210 | R2040-I2206 HydrophobicContact CG-CD1 4.08Å; C2043-I2206 HydrophobicContact CB-CB 4.46Å; C2043-I2206 HydrophobicContact CB-CG2 4.02Å; W2044-I2206 HydrophobicContact CD2-CG2 4.19Å; W2044-I2206 HydrophobicContact CE3-CG2 4.1Å; W2044-I2206 HydrophobicContact CH2-CG2 3.96Å; W2044-I2206 HydrophobicContact CZ2-CD1 3.85Å; W2044-I2206 HydrophobicContact CZ2-CG1 4.17Å; W2044-I2206 HydrophobicContact CZ2-CG2 4.02Å; W2044-I2206 HydrophobicContact CZ3-CG2 3.99Å; I2047-I2206 HydrophobicContact CD1-CG2 3.64Å; C2202-I2206 WeakPolarHBondContact O-CG1 3.43Å; C2202-I2206 PolarHBondContact O-N 3.16Å; P2203-I2206 WeakPolarHBondContact O-CB 3.28Å; P2203-I2206 PolarHBondContact O-N 3.2Å; S2204-I2206 VanDerWaalsContact C-N 3.32Å; S2204-I2206 PolarHBondContact O-N 2.98Å; I2206-Q2209 PolarHBondContact O-N 3.24Å; I2206-H2210 PolarHBondContact O-CD2 3.25Å; I2206-H2210 VanDerWaalsContact O-CD2 3.26Å; I2206-H2210 PolarHBondContact O-N 3.41Å; I2206-H2210 VanDerWaalsContact O-N 3.14Å |
| 2207 | L | 85.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 177.4 | -67.7 | 176.5 | 0 | 0 | 0 | 111.7 | C2043 W2159 P2203 S2204 C2205 Q2209 H2210 L2211 R2216 F2219 Y2220 | C2043-L2207 HydrophobicContact CB-CD1 4.44Å; C2043-L2207 HydrophobicContact CB-CD2 3.81Å; C2043-L2207 HydrophobicContact CB-CG 3.91Å; C2043-L2207 WeakPolarHBondContact SG-CD1 3.45Å; C2043-L2207 WeakPolarHBondContact SG-CG 3.38Å; W2159-L2207 HydrophobicContact CZ2-CD1 4.27Å; P2203-L2207 PolarHBondContact O-N 3.12Å; S2204-L2207 PolarHBondContact O-N 2.86Å; C2205-L2207 VanDerWaalsContact C-N 3.34Å; C2205-L2207 PolarHBondContact O-N 2.98Å; L2207-Q2209 PolarHBondContact O-N 3.37Å; L2207-H2210 PolarHBondContact O-N 3.15Å; L2207-L2211 HydrophobicContact CD2-CD1 3.57Å; L2207-L2211 HydrophobicContact CD2-CG 4.31Å; L2207-L2211 PolarHBondContact O-N 3.03Å; L2207-R2216 VanDerWaalsContact C-CD 3.44Å; L2207-R2216 HydrophobicContact CB-CG 4.25Å; L2207-R2216 WeakPolarHBondContact O-CD 3.36Å; L2207-F2219 HydrophobicContact CD1-CD1 3.95Å; L2207-F2219 HydrophobicContact CD1-CE1 3.79Å; L2207-Y2220 HydrophobicContact CD1-CE1 4.42Å; L2207-Y2220 HydrophobicContact CD1-CE2 4.09Å; L2207-Y2220 WeakPolarHBondContact CD1-OH 3.49Å |
| 2208 | M | 83.3 | Confident | 77.7 | Confident | 70.5 Ų | 70.5 | 40 Ų | 40 | 35% | 0.347 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.9 | -38.8 | 177.6 | -70 | -78.6 | -41.9 | 0 | 0 | 112.3 | S2204 C2205 R2216 | S2204-M2208 VanDerWaalsContact O-CG 3.23Å; S2204-M2208 WeakPolarHBondContact O-CG 3.32Å; S2204-M2208 PolarHBondContact O-N 3.16Å; C2205-M2208 PolarHBondContact O-N 3.41Å; M2208-R2216 PolarHBondContact SD-NH1 3.21Å; M2208-R2216 PolarHBondContact SD-NH2 3.48Å; M2208-R2216 VanDerWaalsContact SD-NH2 3.44Å |
| 2209 | Q | 81.7 | Confident | 79.3 | Confident | 140.5 Ų | 140.5 | 38.2 Ų | 38.2 | 66% | 0.657 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -74.1 | -36.7 | -178.7 | -177.2 | 177.2 | 1.4 | 0 | 0 | 112.8 | C2205 I2206 L2207 | C2205-Q2209 WeakPolarHBondContact O-CB 3.41Å; C2205-Q2209 PolarHBondContact O-N 3.04Å; I2206-Q2209 PolarHBondContact O-N 3.24Å; L2207-Q2209 PolarHBondContact O-N 3.37Å |
| 2210 | H | 82.2 | Confident | 80.8 | Confident | 66.5 Ų | 66.5 | 35.7 Ų | 35.7 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -108.1 | -19.7 | -168.6 | -69 | -66.8 | 0 | 0 | 0 | 115.1 | W2044 I2047 I2206 L2207 | W2044-H2210 AromaticContact CZ3-NE2 3.97Å; I2047-H2210 HydrophobicContact CD1-CB 3.59Å; I2047-H2210 HydrophobicContact CG1-CB 3.92Å; I2047-H2210 HydrophobicContact CG2-CB 4.36Å; I2206-H2210 PolarHBondContact O-CD2 3.25Å; I2206-H2210 VanDerWaalsContact O-CD2 3.26Å; I2206-H2210 PolarHBondContact O-N 3.41Å; I2206-H2210 VanDerWaalsContact O-N 3.14Å; L2207-H2210 PolarHBondContact O-N 3.15Å |
| 2211 | L | 82.1 | Confident | 82.2 | Confident | 14.5 Ų | 14.5 | 31.3 Ų | 31.3 | 8% | 0.076 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -123.3 | 140.2 | -175.4 | -61.8 | -174.8 | 0 | 0 | 0 | 112.9 | E2046 I2047 L2050 L2207 H2215 R2216 | E2046-L2211 HydrophobicContact CG-CD1 3.97Å; I2047-L2211 HydrophobicContact CG1-CD1 4.33Å; I2047-L2211 HydrophobicContact CG1-CD2 4.19Å; I2047-L2211 HydrophobicContact CG1-CG 4.08Å; L2050-L2211 HydrophobicContact CD1-CD1 4.33Å; L2050-L2211 HydrophobicContact CD1-CD2 3.56Å; L2050-L2211 VanDerWaalsContact CD1-CD2 3.46Å; L2207-L2211 HydrophobicContact CD2-CD1 3.57Å; L2207-L2211 HydrophobicContact CD2-CG 4.31Å; L2207-L2211 PolarHBondContact O-N 3.03Å; L2211-H2215 HydrophobicContact CB-CB 4.3Å; L2211-H2215 HydrophobicContact CD1-CB 4.48Å; L2211-R2216 HydrophobicContact CB-CG 3.82Å; L2211-R2216 WeakPolarHBondContact O-CD 3.2Å; L2211-R2216 PolarHBondContact O-NE 3.08Å |
| 2212 | P | 80.1 | Confident | 82.8 | Confident | 64.5 Ų | 64.5 | 30.5 Ų | 30.5 | 42% | 0.419 | 16% | 0.155 | S | C | . | . | trans | -64.6 | 153.8 | 175 | 28.4 | -34.4 | 0 | 0 | 0 | 111.2 | V2119 V2214 H2215 R2216 | V2119-P2212 HydrophobicContact CG2-CB 3.8Å; V2119-P2212 HydrophobicContact CG2-CG 3.88Å; P2212-V2214 VanDerWaalsContact C-N 3.31Å; P2212-V2214 PolarHBondContact O-N 2.83Å; P2212-V2214 VanDerWaalsContact O-N 3.08Å; P2212-H2215 HydrophobicContact CG-CB 4Å; P2212-H2215 WeakPolarHBondContact CG-ND1 3.38Å; P2212-H2215 PolarHBondContact O-N 3.09Å; P2212-H2215 VanDerWaalsContact O-N 3.14Å; P2212-R2216 WeakPolarHBondContact O-CG 3.35Å; P2212-R2216 PolarHBondContact O-N 3.07Å; P2212-R2216 VanDerWaalsContact O-N 3.07Å | ||
| 2213 | L | 78.7 | Confident | 83.3 | Confident | 41 Ų | 41 | 30.1 Ų | 30.1 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -51.9 | -42.1 | -176.9 | -176.3 | 66.1 | 0 | 0 | 0 | 112.8 | N2170 H2215 R2216 R2217 | N2170-L2213 HydrophobicContact CB-CD1 4Å; N2170-L2213 HydrophobicContact CB-CD2 4.23Å; L2213-H2215 VanDerWaalsContact C-N 3.34Å; L2213-H2215 PolarHBondContact O-N 2.87Å; L2213-R2216 WeakPolarHBondContact O-CB 3.21Å; L2213-R2216 PolarHBondContact O-N 3.34Å; L2213-R2217 VanDerWaalsContact CD2-NH2 3.27Å; L2213-R2217 WeakPolarHBondContact O-CG 3.38Å; L2213-R2217 PolarHBondContact O-N 3.18Å |
| 2214 | V | 73.8 | Confident | 83.5 | Confident | 49 Ų | 49 | 29.8 Ų | 29.8 | 30% | 0.297 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63 | -44.7 | -178.1 | -177.8 | 0 | 0 | 0 | 0 | 112 | V2119 A2124 P2212 R2216 R2217 V2218 | V2119-V2214 HydrophobicContact CB-CG1 3.9Å; V2119-V2214 HydrophobicContact CG1-CG1 3.24Å; V2119-V2214 HydrophobicContact CG2-CG1 3.33Å; A2124-V2214 HydrophobicContact CB-CG1 3.67Å; P2212-V2214 VanDerWaalsContact C-N 3.31Å; P2212-V2214 PolarHBondContact O-N 2.83Å; P2212-V2214 VanDerWaalsContact O-N 3.08Å; V2214-R2216 VanDerWaalsContact C-N 3.25Å; V2214-R2216 PolarHBondContact O-N 3.5Å; V2214-R2217 WeakPolarHBondContact O-CB 3.08Å; V2214-R2217 PolarHBondContact O-N 3.25Å; V2214-V2218 PolarHBondContact O-N 2.86Å |
| 2215 | H | 79.5 | Confident | 83.6 | Confident | 21.5 Ų | 21.5 | 29.7 Ų | 29.7 | 10% | 0.1 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 176.2 | -121 | 126.4 | 0 | 0 | 0 | 111.8 | E2046 L2050 L2123 G2125 L2211 P2212 L2213 R2217 V2218 F2219 | E2046-H2215 IonicContact OE1-CD2 4Å; E2046-H2215 IonicContact OE1-CE1 3.61Å; E2046-H2215 PolarHBondContact OE1-CE1 3.05Å; E2046-H2215 VanDerWaalsContact OE1-CE1 3.29Å; E2046-H2215 IonicContact OE1-NE2 3.28Å; E2046-H2215 PolarHBondContact OE1-NE2 3.33Å; L2050-H2215 WeakPolarHBondContact CD1-NE2 3.24Å; L2123-H2215 VanDerWaalsContact C-CD2 3.42Å; L2123-H2215 PolarHBondContact O-CD2 3.17Å; L2123-H2215 PolarHBondContact O-NE2 3.46Å; G2125-H2215 PolarHBondContact N-ND1 3.02Å; L2211-H2215 HydrophobicContact CB-CB 4.3Å; L2211-H2215 HydrophobicContact CD1-CB 4.48Å; P2212-H2215 HydrophobicContact CG-CB 4Å; P2212-H2215 WeakPolarHBondContact CG-ND1 3.38Å; P2212-H2215 PolarHBondContact O-N 3.09Å; P2212-H2215 VanDerWaalsContact O-N 3.14Å; L2213-H2215 VanDerWaalsContact C-N 3.34Å; L2213-H2215 PolarHBondContact O-N 2.87Å; H2215-R2217 VanDerWaalsContact C-N 3.32Å; H2215-R2217 PolarHBondContact O-N 3.32Å; H2215-V2218 PolarHBondContact O-N 2.76Å; H2215-F2219 WeakPolarHBondContact O-CB 3.2Å; H2215-F2219 PolarHBondContact O-N 3.14Å |
| 2216 | R | 83.5 | Confident | 83.7 | Confident | 22.5 Ų | 22.5 | 30.1 Ų | 30.1 | 9% | 0.085 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 177.4 | -67.6 | -172.9 | -81.4 | 125.1 | -14.1 | 112 | L2207 M2208 L2211 P2212 L2213 V2214 F2219 Y2220 | L2207-R2216 VanDerWaalsContact C-CD 3.44Å; L2207-R2216 HydrophobicContact CB-CG 4.25Å; L2207-R2216 WeakPolarHBondContact O-CD 3.36Å; M2208-R2216 PolarHBondContact SD-NH1 3.21Å; M2208-R2216 PolarHBondContact SD-NH2 3.48Å; M2208-R2216 VanDerWaalsContact SD-NH2 3.44Å; L2211-R2216 HydrophobicContact CB-CG 3.82Å; L2211-R2216 WeakPolarHBondContact O-CD 3.2Å; L2211-R2216 PolarHBondContact O-NE 3.08Å; P2212-R2216 WeakPolarHBondContact O-CG 3.35Å; P2212-R2216 PolarHBondContact O-N 3.07Å; P2212-R2216 VanDerWaalsContact O-N 3.07Å; L2213-R2216 WeakPolarHBondContact O-CB 3.21Å; L2213-R2216 PolarHBondContact O-N 3.34Å; V2214-R2216 VanDerWaalsContact C-N 3.25Å; V2214-R2216 PolarHBondContact O-N 3.5Å; R2216-F2219 PolarHBondContact O-N 3.18Å; R2216-Y2220 WeakPolarHBondContact O-CD2 3.39Å; R2216-Y2220 PolarHBondContact O-N 3.27Å |
| 2217 | R | 80 | Confident | 83.9 | Confident | 42 Ų | 42 | 29.9 Ų | 29.9 | 16% | 0.158 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.5 | -54.2 | 173.5 | -73.5 | 176.9 | -179 | 175.3 | 2.1 | 111.1 | S2167 D2171 L2213 V2214 H2215 F2219 Y2220 E2221 | S2167-R2217 VanDerWaalsContact CB-CG 3.44Å; S2167-R2217 VanDerWaalsContact O-CZ 3.26Å; S2167-R2217 PolarHBondContact O-NE 3.23Å; S2167-R2217 PolarHBondContact O-NH2 2.83Å; S2167-R2217 WeakPolarHBondContact OG-CG 3.41Å; D2171-R2217 IonicContact OD1-CZ 3.62Å; D2171-R2217 IonicContact OD1-NH1 3.95Å; D2171-R2217 PolarHBondContact OD1-NH1 2.79Å; D2171-R2217 IonicContact OD1-NH2 2.77Å; D2171-R2217 PolarHBondContact OD1-NH2 3.07Å; D2171-R2217 IonicContact OD2-CZ 2.76Å; D2171-R2217 IonicContact OD2-NH1 3.41Å; D2171-R2217 PolarHBondContact OD2-NH1 2.83Å; D2171-R2217 VanDerWaalsContact OD2-NH1 3.09Å; D2171-R2217 IonicContact OD2-NH2 3.7Å; L2213-R2217 VanDerWaalsContact CD2-NH2 3.27Å; L2213-R2217 WeakPolarHBondContact O-CG 3.38Å; L2213-R2217 PolarHBondContact O-N 3.18Å; V2214-R2217 WeakPolarHBondContact O-CB 3.08Å; V2214-R2217 PolarHBondContact O-N 3.25Å; H2215-R2217 VanDerWaalsContact C-N 3.32Å; H2215-R2217 PolarHBondContact O-N 3.32Å; R2217-F2219 VanDerWaalsContact C-N 3.33Å; R2217-F2219 PolarHBondContact O-N 3.06Å; R2217-Y2220 PolarHBondContact O-N 3.34Å; R2217-E2221 VanDerWaalsContact O-CB 3.24Å; R2217-E2221 WeakPolarHBondContact O-CB 3.35Å; R2217-E2221 PolarHBondContact O-N 2.84Å |
| 2218 | V | 80.2 | Confident | 83.9 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | -179 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | A2124 V2214 H2215 R2222 W2268 L2269 | A2124-V2218 HydrophobicContact CB-CG2 4.01Å; A2124-V2218 WeakPolarHBondContact O-CB 3.13Å; A2124-V2218 WeakPolarHBondContact O-CG1 3.03Å; A2124-V2218 VanDerWaalsContact O-CG2 3.27Å; A2124-V2218 WeakPolarHBondContact O-CG2 3.04Å; V2214-V2218 PolarHBondContact O-N 2.86Å; H2215-V2218 PolarHBondContact O-N 2.76Å; V2218-R2222 HydrophobicContact CG1-CG 4.18Å; V2218-R2222 WeakPolarHBondContact O-CB 3.25Å; V2218-R2222 VanDerWaalsContact O-CG 3.27Å; V2218-R2222 WeakPolarHBondContact O-CG 3.32Å; V2218-R2222 PolarHBondContact O-N 3.04Å; V2218-W2268 HydrophobicContact CG1-CD2 3.8Å; V2218-W2268 HydrophobicContact CG1-CE3 4.1Å; V2218-W2268 HydrophobicContact CG1-CG 4.1Å; V2218-W2268 HydrophobicContact CG1-CZ2 4.48Å; V2218-W2268 HydrophobicContact CG2-CD2 4.4Å; V2218-W2268 HydrophobicContact CG2-CH2 4.29Å; V2218-W2268 HydrophobicContact CG2-CZ2 3.69Å; V2218-L2269 HydrophobicContact CG2-CD2 3.81Å; V2218-L2269 HydrophobicContact CG2-CG 4.38Å |
| 2219 | F | 86.9 | Confident | 83.9 | Confident | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -53.1 | 177.4 | 173.2 | -95.5 | 0 | 0 | 0 | 112 | L2042 E2046 Y2135 W2159 L2207 H2215 R2216 R2217 L2223 | L2042-F2219 HydrophobicContact CB-CZ 4.31Å; E2046-F2219 HydrophobicContact CB-CD2 4.14Å; E2046-F2219 HydrophobicContact CB-CE2 3.89Å; E2046-F2219 HydrophobicContact CG-CD2 3.68Å; E2046-F2219 HydrophobicContact CG-CE2 3.97Å; E2046-F2219 HydrophobicContact CG-CG 4.46Å; Y2135-F2219 HydrophobicContact CD1-CD2 4.24Å; Y2135-F2219 AromaticContact CD1-CE2 3.74Å; Y2135-F2219 HydrophobicContact CD1-CE2 3.74Å; Y2135-F2219 HydrophobicContact CD1-CZ 4.36Å; Y2135-F2219 AromaticContact CE1-CD2 3.95Å; Y2135-F2219 HydrophobicContact CE1-CD2 3.95Å; Y2135-F2219 AromaticContact CE1-CE2 3.85Å; Y2135-F2219 HydrophobicContact CE1-CE2 3.93Å; W2159-F2219 AromaticContact CH2-CE1 3.79Å; W2159-F2219 HydrophobicContact CH2-CE1 3.79Å; W2159-F2219 HydrophobicContact CH2-CZ 4.17Å; W2159-F2219 HydrophobicContact CZ2-CE1 4.45Å; W2159-F2219 HydrophobicContact CZ3-CE1 4.49Å; L2207-F2219 HydrophobicContact CD1-CD1 3.95Å; L2207-F2219 HydrophobicContact CD1-CE1 3.79Å; H2215-F2219 WeakPolarHBondContact O-CB 3.2Å; H2215-F2219 PolarHBondContact O-N 3.14Å; R2216-F2219 PolarHBondContact O-N 3.18Å; R2217-F2219 VanDerWaalsContact C-N 3.33Å; R2217-F2219 PolarHBondContact O-N 3.06Å; F2219-L2223 HydrophobicContact CE1-CD2 4.41Å; F2219-L2223 VanDerWaalsContact O-CB 3.29Å; F2219-L2223 WeakPolarHBondContact O-CB 3.31Å; F2219-L2223 PolarHBondContact O-N 3.19Å |
| 2220 | Y | 89.3 | Confident | 83.9 | Confident | 5.5 Ų | 5.5 | 23.4 Ų | 23.4 | 2% | 0.022 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.9 | -40.1 | -179.6 | -76.1 | -61.5 | 0 | 0 | 0 | 112.3 | W2159 A2160 G2163 L2207 R2216 R2217 L2223 C2224 | W2159-Y2220 HydrophobicContact CD2-CE1 4.36Å; W2159-Y2220 AromaticContact CE2-CE1 3.87Å; W2159-Y2220 AromaticContact CH2-CE1 3.97Å; W2159-Y2220 HydrophobicContact CH2-CE1 4.01Å; W2159-Y2220 AromaticContact CZ2-CE1 3.68Å; W2159-Y2220 HydrophobicContact CZ2-CE1 3.68Å; W2159-Y2220 HydrophobicContact CZ3-CE1 4.44Å; A2160-Y2220 WeakPolarHBondContact O-CD1 3.43Å; G2163-Y2220 VanDerWaalsContact C-CD2 3.44Å; G2163-Y2220 WeakPolarHBondContact O-CD2 3.37Å; L2207-Y2220 HydrophobicContact CD1-CE1 4.42Å; L2207-Y2220 HydrophobicContact CD1-CE2 4.09Å; L2207-Y2220 WeakPolarHBondContact CD1-OH 3.49Å; R2216-Y2220 WeakPolarHBondContact O-CD2 3.39Å; R2216-Y2220 PolarHBondContact O-N 3.27Å; R2217-Y2220 PolarHBondContact O-N 3.34Å; Y2220-L2223 HydrophobicContact CD1-CD2 4.34Å; Y2220-L2223 WeakPolarHBondContact O-CB 3.25Å; Y2220-L2223 PolarHBondContact O-N 2.94Å; Y2220-C2224 WeakPolarHBondContact O-CB 3.29Å; Y2220-C2224 PolarHBondContact O-N 2.87Å; Y2220-C2224 PolarHBondContact O-SG 3.25Å; Y2220-C2224 VanDerWaalsContact O-SG 3.39Å |
| 2221 | E | 85.7 | Confident | 83.8 | Confident | 10 Ų | 10 | 20.7 Ų | 20.7 | 5% | 0.047 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64 | -48.8 | 180 | -168.4 | 172.6 | -173.6 | 0 | 0 | 110.9 | L2164 R2217 L2223 C2224 Y2225 Q2246 Q2261 W2268 L2272 | L2164-E2221 HydrophobicContact CD1-CB 3.86Å; L2164-E2221 HydrophobicContact CD1-CG 4.35Å; R2217-E2221 VanDerWaalsContact O-CB 3.24Å; R2217-E2221 WeakPolarHBondContact O-CB 3.35Å; R2217-E2221 PolarHBondContact O-N 2.84Å; E2221-L2223 VanDerWaalsContact C-N 3.34Å; E2221-L2223 PolarHBondContact O-N 2.93Å; E2221-C2224 PolarHBondContact O-N 3.16Å; E2221-Y2225 HydrophobicContact CG-CD2 3.76Å; E2221-Y2225 HydrophobicContact CG-CE2 3.69Å; E2221-Y2225 WeakPolarHBondContact O-CB 3.32Å; E2221-Y2225 VanDerWaalsContact O-CD2 3.27Å; E2221-Y2225 WeakPolarHBondContact O-CD2 3.41Å; E2221-Y2225 PolarHBondContact O-N 3.02Å; E2221-Q2246 PolarHBondContact OE1-NE2 2.97Å; E2221-Q2261 PolarHBondContact OE1-NE2 2.95Å; E2221-Q2261 PolarHBondContact OE2-NE2 3.37Å; E2221-Q2261 VanDerWaalsContact OE2-NE2 3.1Å; E2221-W2268 HydrophobicContact CG-CZ3 4.41Å; E2221-W2268 VanDerWaalsContact OE2-CH2 3.27Å; E2221-W2268 WeakPolarHBondContact OE2-CH2 3.38Å; E2221-L2272 HydrophobicContact CB-CD2 4.24Å; E2221-L2272 HydrophobicContact CG-CD2 4.1Å |
| 2222 | R | 86.4 | Confident | 83.6 | Confident | 23 Ų | 23 | 21.2 Ų | 21.2 | 9% | 0.087 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 176.1 | -70.9 | 179.3 | 68.6 | 93 | -1 | 112.1 | A2080 F2133 Y2135 V2218 C2224 Y2225 K2226 W2268 D2271 L2272 | A2080-R2222 PolarHBondContact O-NH1 3.5Å; A2080-R2222 PolarHBondContact O-NH2 3.15Å; F2133-R2222 VanDerWaalsContact CE2-NE 3.33Å; Y2135-R2222 HydrophobicContact CE2-CB 4.35Å; Y2135-R2222 WeakPolarHBondContact OH-CB 3.3Å; Y2135-R2222 PolarHBondContact OH-NE 3.44Å; V2218-R2222 HydrophobicContact CG1-CG 4.18Å; V2218-R2222 WeakPolarHBondContact O-CB 3.25Å; V2218-R2222 VanDerWaalsContact O-CG 3.27Å; V2218-R2222 WeakPolarHBondContact O-CG 3.32Å; V2218-R2222 PolarHBondContact O-N 3.04Å; R2222-C2224 VanDerWaalsContact C-N 3.35Å; R2222-C2224 PolarHBondContact O-N 3.04Å; R2222-Y2225 PolarHBondContact O-N 3.03Å; R2222-K2226 WeakPolarHBondContact O-CB 3.22Å; R2222-K2226 PolarHBondContact O-N 3.35Å; R2222-W2268 HydrophobicContact CG-CE3 4.2Å; R2222-D2271 IonicContact NH1-OD2 3.62Å; R2222-D2271 IonicContact NH2-OD2 3.1Å; R2222-L2272 HydrophobicContact CG-CD1 3.87Å; R2222-L2272 HydrophobicContact CG-CD2 4.21Å |
| 2223 | L | 90.4 | Very high | 83.2 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.7 | -49.6 | 175.5 | 171.5 | 66.1 | 0 | 0 | 0 | 111.2 | Y2135 I2139 W2159 A2160 F2219 Y2220 E2221 K2226 F2227 | Y2135-L2223 VanDerWaalsContact CB-CD1 3.48Å; Y2135-L2223 HydrophobicContact CD1-CB 4.42Å; Y2135-L2223 HydrophobicContact CD1-CD1 4.42Å; Y2135-L2223 HydrophobicContact CD2-CB 4.38Å; Y2135-L2223 HydrophobicContact CD2-CD1 4.14Å; Y2135-L2223 HydrophobicContact CG-CB 4.37Å; Y2135-L2223 HydrophobicContact CG-CD1 3.78Å; I2139-L2223 HydrophobicContact CD1-CD1 3.84Å; W2159-L2223 HydrophobicContact CE3-CD2 4.1Å; W2159-L2223 HydrophobicContact CH2-CD2 4.24Å; W2159-L2223 HydrophobicContact CZ3-CD2 3.47Å; W2159-L2223 VanDerWaalsContact CZ3-CD2 3.47Å; A2160-L2223 HydrophobicContact CB-CD2 3.51Å; A2160-L2223 HydrophobicContact CB-CG 4.01Å; F2219-L2223 HydrophobicContact CE1-CD2 4.41Å; F2219-L2223 VanDerWaalsContact O-CB 3.29Å; F2219-L2223 WeakPolarHBondContact O-CB 3.31Å; F2219-L2223 PolarHBondContact O-N 3.19Å; Y2220-L2223 HydrophobicContact CD1-CD2 4.34Å; Y2220-L2223 WeakPolarHBondContact O-CB 3.25Å; Y2220-L2223 PolarHBondContact O-N 2.94Å; E2221-L2223 VanDerWaalsContact C-N 3.34Å; E2221-L2223 PolarHBondContact O-N 2.93Å; L2223-K2226 PolarHBondContact O-N 2.77Å; L2223-F2227 VanDerWaalsContact O-CB 3.28Å; L2223-F2227 WeakPolarHBondContact O-CB 3.33Å; L2223-F2227 PolarHBondContact O-N 2.77Å |
| 2224 | C | 90.1 | Very high | 83 | Confident | 0.5 Ų | 0.5 | 18.5 Ų | 18.5 | 0% | 0.003 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 179.8 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | W2157 Y2220 E2221 R2222 K2226 F2227 A2228 L2242 | W2157-C2224 HydrophobicContact CH2-CB 4.37Å; W2157-C2224 HydrophobicContact CZ3-CB 4.21Å; Y2220-C2224 WeakPolarHBondContact O-CB 3.29Å; Y2220-C2224 PolarHBondContact O-N 2.87Å; Y2220-C2224 PolarHBondContact O-SG 3.25Å; Y2220-C2224 VanDerWaalsContact O-SG 3.39Å; E2221-C2224 PolarHBondContact O-N 3.16Å; R2222-C2224 VanDerWaalsContact C-N 3.35Å; R2222-C2224 PolarHBondContact O-N 3.04Å; C2224-K2226 PolarHBondContact O-N 3.4Å; C2224-F2227 WeakPolarHBondContact O-CB 3.39Å; C2224-F2227 PolarHBondContact O-N 3.23Å; C2224-A2228 PolarHBondContact O-N 3.22Å; C2224-L2242 HydrophobicContact CB-CD1 4.2Å; C2224-L2242 HydrophobicContact CB-CD2 3.59Å; C2224-L2242 HydrophobicContact CB-CG 4.35Å |
| 2225 | Y | 87.1 | Confident | 83.3 | Confident | 5.5 Ų | 5.5 | 16.2 Ų | 16.2 | 2% | 0.022 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 176.4 | -88.7 | -67.1 | 0 | 0 | 0 | 111.4 | E2221 R2222 F2227 A2228 F2229 Y2239 L2242 Q2246 L2272 N2276 | E2221-Y2225 HydrophobicContact CG-CD2 3.76Å; E2221-Y2225 HydrophobicContact CG-CE2 3.69Å; E2221-Y2225 WeakPolarHBondContact O-CB 3.32Å; E2221-Y2225 VanDerWaalsContact O-CD2 3.27Å; E2221-Y2225 WeakPolarHBondContact O-CD2 3.41Å; E2221-Y2225 PolarHBondContact O-N 3.02Å; R2222-Y2225 PolarHBondContact O-N 3.03Å; Y2225-F2227 VanDerWaalsContact C-N 3.31Å; Y2225-F2227 PolarHBondContact O-N 2.76Å; Y2225-A2228 PolarHBondContact O-N 2.94Å; Y2225-A2228 VanDerWaalsContact O-N 3.14Å; Y2225-F2229 HydrophobicContact CD1-CD2 4.41Å; Y2225-F2229 AromaticContact CD1-CE1 3.98Å; Y2225-F2229 HydrophobicContact CD1-CE1 3.98Å; Y2225-F2229 AromaticContact CD1-CE2 3.75Å; Y2225-F2229 HydrophobicContact CD1-CE2 3.75Å; Y2225-F2229 AromaticContact CD1-CZ 3.45Å; Y2225-F2229 HydrophobicContact CD1-CZ 3.74Å; Y2225-F2229 VanDerWaalsContact CD1-CZ 3.45Å; Y2225-F2229 HydrophobicContact CE1-CZ 4.23Å; Y2225-F2229 AromaticContact CG-CE2 3.96Å; Y2225-F2229 HydrophobicContact CG-CE2 4.13Å; Y2225-F2229 HydrophobicContact CG-CZ 4.23Å; Y2225-F2229 WeakPolarHBondContact O-CB 3.23Å; Y2225-F2229 WeakPolarHBondContact O-CD2 3.26Å; Y2225-F2229 WeakPolarHBondContact O-CG 3.24Å; Y2225-F2229 PolarHBondContact O-N 3.1Å; Y2225-Y2239 HydrophobicContact CD1-CE2 4.36Å; Y2225-Y2239 HydrophobicContact CE1-CD2 4.35Å; Y2225-Y2239 AromaticContact CE1-CE2 3.97Å; Y2225-Y2239 HydrophobicContact CE1-CE2 3.97Å; Y2225-L2242 HydrophobicContact CD1-CD1 3.96Å; Y2225-L2242 HydrophobicContact CD2-CD1 4.47Å; Y2225-L2242 HydrophobicContact CE1-CB 4.14Å; Y2225-L2242 HydrophobicContact CE1-CD1 4.21Å; Y2225-L2242 HydrophobicContact CG-CD1 4.11Å; Y2225-Q2246 PolarHBondContact OH-NE2 2.98Å; Y2225-Q2246 PolarHBondContact OH-OE1 3.05Å; Y2225-L2272 HydrophobicContact CD1-CD1 3.85Å; Y2225-L2272 HydrophobicContact CD2-CD1 3.49Å; Y2225-L2272 VanDerWaalsContact CD2-CD1 3.46Å; Y2225-L2272 HydrophobicContact CD2-CD2 4.26Å; Y2225-L2272 HydrophobicContact CD2-CG 4.29Å; Y2225-L2272 HydrophobicContact CE1-CD1 4.25Å; Y2225-L2272 HydrophobicContact CE2-CD1 3.99Å; Y2225-L2272 HydrophobicContact CE2-CD2 3.9Å; Y2225-L2272 HydrophobicContact CE2-CG 4.25Å; Y2225-L2272 HydrophobicContact CG-CD1 3.75Å; Y2225-L2272 VanDerWaalsContact CG-CD1 3.45Å; Y2225-N2276 HydrophobicContact CE1-CB 4Å; Y2225-N2276 WeakPolarHBondContact CE1-OD1 2.99Å; Y2225-N2276 PolarHBondContact OH-ND2 3.3Å; Y2225-N2276 PolarHBondContact OH-OD1 3.48Å |
| 2226 | K | 87.6 | Confident | 83.2 | Confident | 40 Ų | 40 | 15.3 Ų | 15.3 | 17% | 0.174 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.1 | -44 | 177.4 | 178.8 | 64.3 | 172.3 | 151.9 | 0 | 111.8 | Y2135 D2136 I2139 N2140 R2222 L2223 C2224 F2229 S2230 | Y2135-K2226 HydrophobicContact CD2-CB 4.35Å; Y2135-K2226 HydrophobicContact CD2-CG 4.35Å; Y2135-K2226 HydrophobicContact CE2-CB 4.31Å; D2136-K2226 HydrophobicContact CB-CD 4.49Å; D2136-K2226 WeakPolarHBondContact OD1-CD 3.33Å; D2136-K2226 VanDerWaalsContact OD1-CE 3.3Å; D2136-K2226 WeakPolarHBondContact OD1-CE 3.23Å; D2136-K2226 WeakPolarHBondContact OD1-CG 3.46Å; I2139-K2226 HydrophobicContact CB-CG 4.33Å; I2139-K2226 HydrophobicContact CD1-CB 4.12Å; I2139-K2226 HydrophobicContact CD1-CG 3.81Å; I2139-K2226 HydrophobicContact CG2-CG 4.32Å; N2140-K2226 WeakPolarHBondContact OD1-CE 3.38Å; N2140-K2226 PolarHBondContact OD1-NZ 2.87Å; R2222-K2226 WeakPolarHBondContact O-CB 3.22Å; R2222-K2226 PolarHBondContact O-N 3.35Å; L2223-K2226 PolarHBondContact O-N 2.77Å; C2224-K2226 PolarHBondContact O-N 3.4Å; K2226-F2229 PolarHBondContact O-N 3.34Å; K2226-S2230 WeakPolarHBondContact CE-OG 3.19Å; K2226-S2230 PolarHBondContact NZ-OG 3.05Å; K2226-S2230 WeakPolarHBondContact O-CB 3.29Å; K2226-S2230 PolarHBondContact O-N 3.08Å; K2226-S2230 PolarHBondContact O-OG 3.1Å |
| 2227 | F | 88.8 | Confident | 82.9 | Confident | 3.5 Ų | 3.5 | 16.3 Ų | 16.3 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 177.8 | -165.5 | -73.2 | 0 | 0 | 0 | 110.8 | F1811 I2139 L2153 L2156 W2157 L2223 C2224 Y2225 S2230 L2231 L2238 | F1811-F2227 HydrophobicContact CD2-CE1 4.47Å; F1811-F2227 AromaticContact CE2-CE1 3.88Å; F1811-F2227 HydrophobicContact CE2-CE1 4.15Å; F1811-F2227 HydrophobicContact CE2-CZ 4.03Å; F1811-F2227 HydrophobicContact CZ-CE1 4.12Å; F1811-F2227 HydrophobicContact CZ-CZ 4.25Å; I2139-F2227 HydrophobicContact CD1-CB 4.2Å; I2139-F2227 HydrophobicContact CD1-CD2 3.71Å; I2139-F2227 VanDerWaalsContact CD1-CD2 3.4Å; I2139-F2227 HydrophobicContact CD1-CE2 3.94Å; I2139-F2227 HydrophobicContact CD1-CG 4.3Å; I2139-F2227 HydrophobicContact CG1-CD2 4.33Å; L2153-F2227 HydrophobicContact CB-CE2 3.98Å; L2153-F2227 HydrophobicContact CB-CZ 3.58Å; L2153-F2227 HydrophobicContact CD1-CE2 4.31Å; L2153-F2227 HydrophobicContact CD1-CZ 4.02Å; L2153-F2227 HydrophobicContact CG-CZ 4.48Å; L2156-F2227 HydrophobicContact CB-CE2 4.4Å; L2156-F2227 HydrophobicContact CD2-CD2 4.43Å; L2156-F2227 HydrophobicContact CD2-CE2 4.06Å; L2156-F2227 HydrophobicContact CG-CE2 4.3Å; W2157-F2227 HydrophobicContact CB-CE1 4.36Å; W2157-F2227 HydrophobicContact CB-CE2 4.38Å; W2157-F2227 HydrophobicContact CB-CZ 4.12Å; W2157-F2227 HydrophobicContact CD2-CD1 4.45Å; W2157-F2227 HydrophobicContact CD2-CE1 4.45Å; W2157-F2227 HydrophobicContact CE3-CB 4.25Å; W2157-F2227 AromaticContact CE3-CD1 3.65Å; W2157-F2227 HydrophobicContact CE3-CD1 3.65Å; W2157-F2227 AromaticContact CE3-CE1 3.92Å; W2157-F2227 HydrophobicContact CE3-CE1 4.05Å; W2157-F2227 AromaticContact CE3-CG 3.93Å; W2157-F2227 HydrophobicContact CE3-CG 3.93Å; W2157-F2227 HydrophobicContact CZ3-CB 4.21Å; W2157-F2227 AromaticContact CZ3-CD1 3.91Å; W2157-F2227 HydrophobicContact CZ3-CD1 4.07Å; W2157-F2227 HydrophobicContact CZ3-CG 4.33Å; L2223-F2227 VanDerWaalsContact O-CB 3.28Å; L2223-F2227 WeakPolarHBondContact O-CB 3.33Å; L2223-F2227 PolarHBondContact O-N 2.77Å; C2224-F2227 WeakPolarHBondContact O-CB 3.39Å; C2224-F2227 PolarHBondContact O-N 3.23Å; Y2225-F2227 VanDerWaalsContact C-N 3.31Å; Y2225-F2227 PolarHBondContact O-N 2.76Å; F2227-S2230 PolarHBondContact O-N 3.33Å; F2227-L2231 HydrophobicContact CD1-CD1 3.77Å; F2227-L2231 HydrophobicContact CE1-CD1 3.6Å; F2227-L2231 WeakPolarHBondContact O-CG 3.35Å; F2227-L2231 PolarHBondContact O-N 2.89Å; F2227-L2238 HydrophobicContact CD1-CD1 3.79Å; F2227-L2238 HydrophobicContact CE1-CD1 3.79Å |
| 2228 | A | 85.5 | Confident | 83 | Confident | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C2224 Y2225 S2230 L2231 L2238 L2242 Y2279 | C2224-A2228 PolarHBondContact O-N 3.22Å; Y2225-A2228 PolarHBondContact O-N 2.94Å; Y2225-A2228 VanDerWaalsContact O-N 3.14Å; A2228-S2230 PolarHBondContact O-N 2.95Å; A2228-L2231 PolarHBondContact O-N 2.77Å; A2228-L2238 HydrophobicContact CB-CB 4.31Å; A2228-L2242 HydrophobicContact CB-CD1 3.98Å; A2228-Y2279 PolarHBondContact O-OH 2.92Å |
| 2229 | F | 82.6 | Confident | 83 | Confident | 49 Ų | 49 | 14.2 Ų | 14.2 | 22% | 0.215 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | -179.3 | -71.8 | -42.7 | 0 | 0 | 0 | 113 | Y2225 K2226 L2231 G2232 Y2239 L2272 S2275 N2276 Y2279 | Y2225-F2229 HydrophobicContact CD1-CD2 4.41Å; Y2225-F2229 AromaticContact CD1-CE1 3.98Å; Y2225-F2229 HydrophobicContact CD1-CE1 3.98Å; Y2225-F2229 AromaticContact CD1-CE2 3.75Å; Y2225-F2229 HydrophobicContact CD1-CE2 3.75Å; Y2225-F2229 AromaticContact CD1-CZ 3.45Å; Y2225-F2229 HydrophobicContact CD1-CZ 3.74Å; Y2225-F2229 VanDerWaalsContact CD1-CZ 3.45Å; Y2225-F2229 HydrophobicContact CE1-CZ 4.23Å; Y2225-F2229 AromaticContact CG-CE2 3.96Å; Y2225-F2229 HydrophobicContact CG-CE2 4.13Å; Y2225-F2229 HydrophobicContact CG-CZ 4.23Å; Y2225-F2229 WeakPolarHBondContact O-CB 3.23Å; Y2225-F2229 WeakPolarHBondContact O-CD2 3.26Å; Y2225-F2229 WeakPolarHBondContact O-CG 3.24Å; Y2225-F2229 PolarHBondContact O-N 3.1Å; K2226-F2229 PolarHBondContact O-N 3.34Å; F2229-L2231 VanDerWaalsContact C-N 3.27Å; F2229-L2231 PolarHBondContact O-N 3.02Å; F2229-G2232 PolarHBondContact O-N 3.03Å; F2229-G2232 VanDerWaalsContact O-N 3.1Å; F2229-Y2239 HydrophobicContact CD1-CD2 4.34Å; F2229-Y2239 AromaticContact CE1-CD2 3.65Å; F2229-Y2239 HydrophobicContact CE1-CD2 3.65Å; F2229-Y2239 AromaticContact CE1-CE2 3.55Å; F2229-Y2239 HydrophobicContact CE1-CE2 3.55Å; F2229-Y2239 HydrophobicContact CZ-CE2 4.16Å; F2229-L2272 HydrophobicContact CE2-CD1 4.32Å; F2229-S2275 WeakPolarHBondContact CZ-O 3.49Å; F2229-N2276 WeakPolarHBondContact CZ-OD1 3.33Å; F2229-Y2279 HydrophobicContact CB-CD2 4.28Å; F2229-Y2279 HydrophobicContact CD1-CD1 4.05Å; F2229-Y2279 AromaticContact CD1-CD2 3.29Å; F2229-Y2279 HydrophobicContact CD1-CD2 3.29Å; F2229-Y2279 VanDerWaalsContact CD1-CD2 3.45Å; F2229-Y2279 AromaticContact CD1-CE2 3.82Å; F2229-Y2279 HydrophobicContact CD1-CE2 3.82Å; F2229-Y2279 AromaticContact CD1-CG 3.73Å; F2229-Y2279 HydrophobicContact CD1-CG 3.73Å; F2229-Y2279 VanDerWaalsContact CD1-CG 3.48Å; F2229-Y2279 HydrophobicContact CE1-CD1 4.02Å; F2229-Y2279 AromaticContact CE1-CD2 3.08Å; F2229-Y2279 HydrophobicContact CE1-CD2 3.62Å; F2229-Y2279 HydrophobicContact CE1-CE2 4.03Å; F2229-Y2279 AromaticContact CE1-CG 3.58Å; F2229-Y2279 HydrophobicContact CE1-CG 3.58Å; F2229-Y2279 VanDerWaalsContact CE1-CG 3.46Å; F2229-Y2279 HydrophobicContact CG-CD2 4.25Å; F2229-Y2279 HydrophobicContact CZ-CD2 4.12Å; F2229-Y2279 HydrophobicContact CZ-CG 4.15Å |
| 2230 | S | 82.5 | Confident | 82.5 | Confident | 23 Ų | 23 | 17 Ų | 17 | 16% | 0.161 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.4 | -23.5 | -176.3 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | I2139 N2140 T2143 K2226 F2227 A2228 G2232 | I2139-S2230 VanDerWaalsContact CG2-CB 3.43Å; I2139-S2230 WeakPolarHBondContact CG2-OG 3.46Å; N2140-S2230 PolarHBondContact OD1-OG 2.76Å; N2140-S2230 VanDerWaalsContact OD1-OG 3.09Å; T2143-S2230 WeakPolarHBondContact CG2-O 3.17Å; K2226-S2230 WeakPolarHBondContact CE-OG 3.19Å; K2226-S2230 PolarHBondContact NZ-OG 3.05Å; K2226-S2230 WeakPolarHBondContact O-CB 3.29Å; K2226-S2230 PolarHBondContact O-N 3.08Å; K2226-S2230 PolarHBondContact O-OG 3.1Å; F2227-S2230 PolarHBondContact O-N 3.33Å; A2228-S2230 PolarHBondContact O-N 2.95Å; S2230-G2232 VanDerWaalsContact C-N 3.28Å; S2230-G2232 PolarHBondContact O-N 3.25Å |
| 2231 | L | 79.8 | Confident | 81.9 | Confident | 11.5 Ų | 11.5 | 19.9 Ų | 19.9 | 6% | 0.06 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -11.6 | 172.9 | -69.4 | 174 | 0 | 0 | 0 | 113.5 | F1811 T2143 V2150 F2227 A2228 F2229 W2233 I2234 L2238 | F1811-L2231 HydrophobicContact CB-CD1 4.37Å; F1811-L2231 HydrophobicContact CD2-CD1 4.06Å; F1811-L2231 HydrophobicContact CE2-CD1 4.4Å; F1811-L2231 HydrophobicContact CG-CD1 4.26Å; T2143-L2231 HydrophobicContact CG2-CD2 3.97Å; T2143-L2231 HydrophobicContact CG2-CG 4.42Å; V2150-L2231 HydrophobicContact CB-CD2 3.73Å; V2150-L2231 HydrophobicContact CG1-CD2 3.59Å; V2150-L2231 HydrophobicContact CG2-CD2 4.15Å; F2227-L2231 HydrophobicContact CD1-CD1 3.77Å; F2227-L2231 HydrophobicContact CE1-CD1 3.6Å; F2227-L2231 WeakPolarHBondContact O-CG 3.35Å; F2227-L2231 PolarHBondContact O-N 2.89Å; A2228-L2231 PolarHBondContact O-N 2.77Å; F2229-L2231 VanDerWaalsContact C-N 3.27Å; F2229-L2231 PolarHBondContact O-N 3.02Å; L2231-W2233 PolarHBondContact O-N 3.18Å; L2231-I2234 HydrophobicContact CB-CB 4.39Å; L2231-I2234 WeakPolarHBondContact O-CB 3.31Å; L2231-I2234 PolarHBondContact O-N 3.2Å; L2231-I2234 VanDerWaalsContact O-N 3.16Å; L2231-L2238 HydrophobicContact CD1-CD1 3.79Å |
| 2232 | G | 76.6 | Confident | 81.6 | Confident | 24 Ų | 24 | 19.6 Ų | 19.6 | 25% | 0.247 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | 56 | -128 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F2229 S2230 I2234 G2235 Y2279 | F2229-G2232 PolarHBondContact O-N 3.03Å; F2229-G2232 VanDerWaalsContact O-N 3.1Å; S2230-G2232 VanDerWaalsContact C-N 3.28Å; S2230-G2232 PolarHBondContact O-N 3.25Å; G2232-I2234 VanDerWaalsContact C-N 3.29Å; G2232-I2234 PolarHBondContact O-N 3.17Å; G2232-G2235 PolarHBondContact O-N 3.4Å; G2232-G2235 VanDerWaalsContact O-N 3.16Å; G2232-Y2279 PolarHBondContact O-OH 3.02Å |
| 2233 | W | 71.6 | Confident | 80.9 | Confident | 39 Ų | 39 | 18.8 Ų | 18.8 | 15% | 0.148 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -66.5 | -28 | -178.5 | 76.6 | -89.5 | 0 | 0 | 0 | 113.4 | P1802 N1806 L1809 L1810 C1835 L2231 G2235 I2236 I2327 | P1802-W2233 HydrophobicContact CB-CD2 3.99Å; P1802-W2233 HydrophobicContact CB-CE3 4.06Å; P1802-W2233 HydrophobicContact CB-CG 4.3Å; N1806-W2233 HydrophobicContact CB-CH2 3.91Å; N1806-W2233 HydrophobicContact CB-CZ3 3.84Å; L1809-W2233 HydrophobicContact CB-CH2 4.14Å; L1809-W2233 HydrophobicContact CD1-CH2 4.3Å; L1810-W2233 HydrophobicContact CD2-CE3 3.58Å; L1810-W2233 HydrophobicContact CD2-CZ3 3.54Å; L1810-W2233 VanDerWaalsContact CD2-CZ3 3.44Å; L1810-W2233 VanDerWaalsContact CD2-O 3.29Å; L1810-W2233 WeakPolarHBondContact CD2-O 3.35Å; L1810-W2233 HydrophobicContact CG-CZ3 4.25Å; C1835-W2233 HydrophobicContact CB-CH2 4.31Å; C1835-W2233 HydrophobicContact CB-CZ2 3.58Å; C1835-W2233 WeakPolarHBondContact O-CZ2 3.23Å; C1835-W2233 PolarHBondContact O-NE1 3.18Å; L2231-W2233 PolarHBondContact O-N 3.18Å; W2233-G2235 VanDerWaalsContact C-N 3.26Å; W2233-G2235 PolarHBondContact O-N 3.35Å; W2233-I2236 HydrophobicContact CB-CD1 4.24Å; W2233-I2236 WeakPolarHBondContact O-CD1 3.34Å; W2233-I2236 VanDerWaalsContact O-CG1 3.29Å; W2233-I2236 WeakPolarHBondContact O-CG1 3.37Å; W2233-I2236 PolarHBondContact O-N 3.27Å; W2233-I2327 HydrophobicContact CB-CD1 3.95Å |
| 2234 | I | 75.3 | Confident | 79.9 | Confident | 10.5 Ų | 10.5 | 22.3 Ų | 22.3 | 5% | 0.054 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -66.3 | -30.5 | 178 | -60.1 | 171.3 | 0 | 0 | 0 | 110.4 | L1809 F1811 C1835 V2150 L2231 G2232 | L1809-I2234 WeakPolarHBondContact O-CG2 3.35Å; F1811-I2234 HydrophobicContact CB-CG2 4.02Å; F1811-I2234 WeakPolarHBondContact CB-O 3.42Å; F1811-I2234 PolarHBondContact N-O 3.21Å; C1835-I2234 HydrophobicContact CB-CD1 4.11Å; C1835-I2234 HydrophobicContact CB-CG1 4.38Å; V2150-I2234 HydrophobicContact CG2-CG2 4.13Å; L2231-I2234 HydrophobicContact CB-CB 4.39Å; L2231-I2234 WeakPolarHBondContact O-CB 3.31Å; L2231-I2234 PolarHBondContact O-N 3.2Å; L2231-I2234 VanDerWaalsContact O-N 3.16Å; G2232-I2234 VanDerWaalsContact C-N 3.29Å; G2232-I2234 PolarHBondContact O-N 3.17Å |
| 2235 | G | 79.6 | Confident | 79 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -86.1 | 1.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G2232 W2233 P2237 L2238 Y2239 | G2232-G2235 PolarHBondContact O-N 3.4Å; G2232-G2235 VanDerWaalsContact O-N 3.16Å; W2233-G2235 VanDerWaalsContact C-N 3.26Å; W2233-G2235 PolarHBondContact O-N 3.35Å; G2235-P2237 VanDerWaalsContact C-CD 3.44Å; G2235-P2237 VanDerWaalsContact C-N 3.33Å; G2235-L2238 WeakPolarHBondContact O-CB 3.4Å; G2235-L2238 PolarHBondContact O-N 3.32Å; G2235-Y2239 PolarHBondContact O-N 3.26Å |
| 2236 | I | 78.3 | Confident | 78.1 | Confident | 2.5 Ų | 2.5 | 25.5 Ų | 25.5 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -51.2 | -43.5 | -177.4 | -70.8 | 168.4 | 0 | 0 | 0 | 113 | W2233 L2238 Y2239 K2240 Y2279 I2327 V2330 F2331 | W2233-I2236 HydrophobicContact CB-CD1 4.24Å; W2233-I2236 WeakPolarHBondContact O-CD1 3.34Å; W2233-I2236 VanDerWaalsContact O-CG1 3.29Å; W2233-I2236 WeakPolarHBondContact O-CG1 3.37Å; W2233-I2236 PolarHBondContact O-N 3.27Å; I2236-L2238 VanDerWaalsContact C-N 3.28Å; I2236-L2238 PolarHBondContact O-N 3.44Å; I2236-Y2239 WeakPolarHBondContact O-CB 3.19Å; I2236-Y2239 PolarHBondContact O-N 3.16Å; I2236-K2240 PolarHBondContact O-N 3.11Å; I2236-Y2279 PolarHBondContact N-OH 3.44Å; I2236-I2327 HydrophobicContact CD1-CD1 3.93Å; I2236-I2327 HydrophobicContact CD1-CG2 4.25Å; I2236-V2330 HydrophobicContact CB-CG1 4.12Å; I2236-V2330 HydrophobicContact CD1-CG1 4.21Å; I2236-V2330 HydrophobicContact CG2-CG1 3.82Å; I2236-F2331 HydrophobicContact CD1-CD2 3.96Å; I2236-F2331 HydrophobicContact CD1-CE2 3.56Å; I2236-F2331 HydrophobicContact CD1-CZ 4.23Å; I2236-F2331 HydrophobicContact CG1-CD2 4.33Å; I2236-F2331 HydrophobicContact CG1-CE2 3.73Å; I2236-F2331 HydrophobicContact CG1-CZ 4.18Å; I2236-F2331 HydrophobicContact CG2-CD1 4.03Å; I2236-F2331 HydrophobicContact CG2-CD2 4.19Å; I2236-F2331 HydrophobicContact CG2-CE1 3.86Å; I2236-F2331 HydrophobicContact CG2-CE2 4.05Å; I2236-F2331 HydrophobicContact CG2-CG 3.83Å; I2236-F2331 HydrophobicContact CG2-CZ 3.87Å |
| 2237 | P | 77.4 | Confident | 76.8 | Confident | 44 Ų | 44 | 27.4 Ų | 27.4 | 29% | 0.286 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.7 | -33.7 | 178 | -24.3 | 35 | 0 | 0 | 0 | 114 | L1810 G2235 Y2239 K2240 R2241 | L1810-P2237 HydrophobicContact CB-CG 4.05Å; L1810-P2237 HydrophobicContact CD1-CG 4.29Å; G2235-P2237 VanDerWaalsContact C-CD 3.44Å; G2235-P2237 VanDerWaalsContact C-N 3.33Å; P2237-Y2239 VanDerWaalsContact C-N 3.29Å; P2237-Y2239 PolarHBondContact O-N 3.44Å; P2237-K2240 PolarHBondContact O-N 3.31Å; P2237-R2241 PolarHBondContact O-N 3.39Å; P2237-R2241 VanDerWaalsContact O-N 3.11Å |
| 2238 | L | 82.5 | Confident | 75.1 | Confident | 0.5 Ų | 0.5 | 31.5 Ų | 31.5 | 0% | 0.003 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.7 | -37.1 | 178.8 | -60.9 | -174.1 | 0 | 0 | 0 | 111.4 | F1811 E1813 W2157 F2227 A2228 L2231 G2235 I2236 R2241 L2242 | F1811-L2238 HydrophobicContact CB-CD1 4.38Å; F1811-L2238 HydrophobicContact CB-CG 4.44Å; F1811-L2238 HydrophobicContact CD1-CD1 3.69Å; F1811-L2238 HydrophobicContact CD1-CD2 3.63Å; F1811-L2238 HydrophobicContact CD1-CG 3.83Å; F1811-L2238 HydrophobicContact CD2-CD1 4.47Å; F1811-L2238 HydrophobicContact CE1-CD1 3.98Å; F1811-L2238 HydrophobicContact CE1-CD2 3.9Å; F1811-L2238 HydrophobicContact CE1-CG 4.21Å; F1811-L2238 HydrophobicContact CG-CD1 4.13Å; F1811-L2238 HydrophobicContact CG-CG 4.35Å; E1813-L2238 HydrophobicContact CB-CD2 4.26Å; E1813-L2238 VanDerWaalsContact OE2-CD2 3.23Å; E1813-L2238 WeakPolarHBondContact OE2-CD2 3.41Å; W2157-L2238 HydrophobicContact CD2-CD1 4.19Å; W2157-L2238 HydrophobicContact CD2-CD2 4.19Å; W2157-L2238 HydrophobicContact CE3-CD1 4.06Å; W2157-L2238 HydrophobicContact CH2-CB 3.82Å; W2157-L2238 HydrophobicContact CH2-CD1 4.24Å; W2157-L2238 HydrophobicContact CH2-CD2 4.32Å; W2157-L2238 HydrophobicContact CH2-CG 4.36Å; W2157-L2238 HydrophobicContact CZ2-CB 3.94Å; W2157-L2238 HydrophobicContact CZ2-CD1 4.38Å; W2157-L2238 HydrophobicContact CZ2-CD2 3.7Å; W2157-L2238 HydrophobicContact CZ2-CG 4.22Å; W2157-L2238 HydrophobicContact CZ3-CB 4.17Å; W2157-L2238 HydrophobicContact CZ3-CD1 4.09Å; F2227-L2238 HydrophobicContact CD1-CD1 3.79Å; F2227-L2238 HydrophobicContact CE1-CD1 3.79Å; A2228-L2238 HydrophobicContact CB-CB 4.31Å; L2231-L2238 HydrophobicContact CD1-CD1 3.79Å; G2235-L2238 WeakPolarHBondContact O-CB 3.4Å; G2235-L2238 PolarHBondContact O-N 3.32Å; I2236-L2238 VanDerWaalsContact C-N 3.28Å; I2236-L2238 PolarHBondContact O-N 3.44Å; L2238-R2241 PolarHBondContact O-N 3.09Å; L2238-R2241 VanDerWaalsContact O-N 3.17Å; L2238-L2242 PolarHBondContact O-N 3.11Å |
| 2239 | Y | 79.6 | Confident | 73.7 | Confident | 1.5 Ų | 1.5 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 177.4 | -177.6 | -103 | 0 | 0 | 0 | 111.8 | Y2225 F2229 G2235 I2236 P2237 R2241 L2242 F2243 N2276 Y2279 R2280 F2331 L2340 | Y2225-Y2239 HydrophobicContact CD1-CE2 4.36Å; Y2225-Y2239 HydrophobicContact CE1-CD2 4.35Å; Y2225-Y2239 AromaticContact CE1-CE2 3.97Å; Y2225-Y2239 HydrophobicContact CE1-CE2 3.97Å; F2229-Y2239 HydrophobicContact CD1-CD2 4.34Å; F2229-Y2239 AromaticContact CE1-CD2 3.65Å; F2229-Y2239 HydrophobicContact CE1-CD2 3.65Å; F2229-Y2239 AromaticContact CE1-CE2 3.55Å; F2229-Y2239 HydrophobicContact CE1-CE2 3.55Å; F2229-Y2239 HydrophobicContact CZ-CE2 4.16Å; G2235-Y2239 PolarHBondContact O-N 3.26Å; I2236-Y2239 WeakPolarHBondContact O-CB 3.19Å; I2236-Y2239 PolarHBondContact O-N 3.16Å; P2237-Y2239 VanDerWaalsContact C-N 3.29Å; P2237-Y2239 PolarHBondContact O-N 3.44Å; Y2239-R2241 VanDerWaalsContact C-N 3.26Å; Y2239-R2241 PolarHBondContact O-N 3.04Å; Y2239-L2242 WeakPolarHBondContact O-CB 3.41Å; Y2239-L2242 PolarHBondContact O-N 3.03Å; Y2239-L2242 VanDerWaalsContact O-N 3.1Å; Y2239-F2243 AromaticContact CD1-CD2 3.77Å; Y2239-F2243 HydrophobicContact CD1-CD2 3.77Å; Y2239-F2243 AromaticContact CD1-CE2 3.32Å; Y2239-F2243 HydrophobicContact CD1-CE2 3.32Å; Y2239-F2243 HydrophobicContact CD1-CZ 4.36Å; Y2239-F2243 HydrophobicContact CD2-CD2 4.41Å; Y2239-F2243 AromaticContact CD2-CE2 3.35Å; Y2239-F2243 HydrophobicContact CD2-CE2 3.35Å; Y2239-F2243 AromaticContact CD2-CZ 3.93Å; Y2239-F2243 HydrophobicContact CD2-CZ 3.93Å; Y2239-F2243 AromaticContact CE1-CD2 3.63Å; Y2239-F2243 HydrophobicContact CE1-CD2 3.63Å; Y2239-F2243 AromaticContact CE1-CE2 3.01Å; Y2239-F2243 HydrophobicContact CE1-CE2 3.01Å; Y2239-F2243 AromaticContact CE1-CZ 3.72Å; Y2239-F2243 HydrophobicContact CE1-CZ 3.72Å; Y2239-F2243 HydrophobicContact CE2-CD2 4.27Å; Y2239-F2243 AromaticContact CE2-CE2 3.01Å; Y2239-F2243 HydrophobicContact CE2-CE2 3.01Å; Y2239-F2243 AromaticContact CE2-CZ 3.16Å; Y2239-F2243 HydrophobicContact CE2-CZ 3.16Å; Y2239-F2243 HydrophobicContact CG-CD2 4.2Å; Y2239-F2243 AromaticContact CG-CE2 3.51Å; Y2239-F2243 HydrophobicContact CG-CE2 3.51Å; Y2239-F2243 HydrophobicContact CG-CZ 4.48Å; Y2239-F2243 AromaticContact CZ-CD2 3.91Å; Y2239-F2243 AromaticContact CZ-CE2 2.85Å; Y2239-F2243 AromaticContact CZ-CZ 3.06Å; Y2239-F2243 WeakPolarHBondContact O-CB 3.48Å; Y2239-F2243 WeakPolarHBondContact O-CD2 3.34Å; Y2239-F2243 WeakPolarHBondContact O-CE2 3.29Å; Y2239-F2243 PolarHBondContact O-N 3.02Å; Y2239-F2243 VanDerWaalsContact O-N 3.12Å; Y2239-F2243 WeakPolarHBondContact OH-CE2 3.48Å; Y2239-F2243 WeakPolarHBondContact OH-CZ 3.12Å; Y2239-N2276 WeakPolarHBondContact CE2-OD1 3.28Å; Y2239-N2276 PolarHBondContact OH-OD1 3.49Å; Y2239-Y2279 AromaticContact CD1-CD1 3.99Å; Y2239-Y2279 HydrophobicContact CD1-CD1 4.12Å; Y2239-Y2279 AromaticContact CD1-CE1 3.77Å; Y2239-Y2279 HydrophobicContact CD1-CE1 3.92Å; Y2239-Y2279 AromaticContact CD2-CD1 3.43Å; Y2239-Y2279 HydrophobicContact CD2-CD1 3.43Å; Y2239-Y2279 AromaticContact CD2-CE1 3.42Å; Y2239-Y2279 HydrophobicContact CD2-CE1 3.42Å; Y2239-Y2279 HydrophobicContact CD2-CG 4.04Å; Y2239-Y2279 HydrophobicContact CE1-CD1 4.16Å; Y2239-Y2279 HydrophobicContact CE1-CE1 4.42Å; Y2239-Y2279 AromaticContact CE2-CD1 2.92Å; Y2239-Y2279 HydrophobicContact CE2-CD1 3.49Å; Y2239-Y2279 AromaticContact CE2-CE1 3.49Å; Y2239-Y2279 HydrophobicContact CE2-CE1 4Å; Y2239-Y2279 VanDerWaalsContact CE2-CE1 3.49Å; Y2239-Y2279 AromaticContact CE2-CG 3.78Å; Y2239-Y2279 HydrophobicContact CE2-CG 3.78Å; Y2239-Y2279 AromaticContact CG-CD1 3.75Å; Y2239-Y2279 HydrophobicContact CG-CD1 3.75Å; Y2239-Y2279 AromaticContact CG-CE1 3.37Å; Y2239-Y2279 HydrophobicContact CG-CE1 3.37Å; Y2239-Y2279 VanDerWaalsContact CG-CE1 3.45Å; Y2239-Y2279 AromaticContact CZ-CD1 3.53Å; Y2239-R2280 WeakPolarHBondContact OH-CA 3.49Å; Y2239-R2280 WeakPolarHBondContact OH-CG 3.24Å; Y2239-F2331 HydrophobicContact CD1-CD1 4.21Å; Y2239-F2331 AromaticContact CD1-CE1 3.62Å; Y2239-F2331 HydrophobicContact CD1-CE1 3.62Å; Y2239-F2331 VanDerWaalsContact CD1-CE1 3.42Å; Y2239-F2331 HydrophobicContact CD1-CZ 4.04Å; Y2239-F2331 HydrophobicContact CE1-CE1 4.2Å; Y2239-F2331 HydrophobicContact CG-CE1 4.18Å; Y2239-L2340 HydrophobicContact CE1-CD2 3.98Å |
| 2240 | K | 75.1 | Confident | 72.4 | Confident | 61.5 Ų | 61.5 | 34.8 Ų | 34.8 | 27% | 0.267 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -52.7 | -45.5 | 174.1 | 177.8 | -179.9 | 179.7 | 161.3 | 0 | 111.2 | I2236 P2237 F2243 I2244 F2331 K2332 | I2236-K2240 PolarHBondContact O-N 3.11Å; P2237-K2240 PolarHBondContact O-N 3.31Å; K2240-F2243 WeakPolarHBondContact O-CB 3.49Å; K2240-F2243 PolarHBondContact O-N 3.21Å; K2240-I2244 HydrophobicContact CD-CD1 4.37Å; K2240-I2244 HydrophobicContact CG-CD1 3.96Å; K2240-I2244 VanDerWaalsContact O-CG1 3.31Å; K2240-I2244 WeakPolarHBondContact O-CG1 3.21Å; K2240-I2244 PolarHBondContact O-N 3.05Å; K2240-F2331 WeakPolarHBondContact CD-O 3.22Å; K2240-K2332 PolarHBondContact NZ-O 2.99Å |
| 2241 | R | 76.7 | Confident | 70.8 | Confident | 66 Ų | 66 | 39.5 Ų | 39.5 | 25% | 0.249 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | -179.7 | -122 | 177.9 | -172.2 | -164.1 | 1.6 | 112.4 | E1813 N1814 P2237 L2238 Y2239 F2243 I2244 Y2245 | E1813-R2241 VanDerWaalsContact OE1-CD 3.26Å; E1813-R2241 WeakPolarHBondContact OE1-CD 3.17Å; E1813-R2241 IonicContact OE1-CZ 3.69Å; E1813-R2241 IonicContact OE1-NE 3.13Å; E1813-R2241 PolarHBondContact OE1-NE 3.08Å; E1813-R2241 IonicContact OE1-NH1 3.25Å; E1813-R2241 PolarHBondContact OE1-NH1 3.1Å; E1813-R2241 WeakPolarHBondContact OE2-CD 3.29Å; E1813-R2241 IonicContact OE2-CZ 3.59Å; E1813-R2241 IonicContact OE2-NE 3.3Å; E1813-R2241 IonicContact OE2-NH1 3.62Å; E1813-R2241 PolarHBondContact OE2-NH1 2.83Å; N1814-R2241 VanDerWaalsContact CG-NH2 3.35Å; N1814-R2241 PolarHBondContact ND2-NH2 3.36Å; N1814-R2241 PolarHBondContact OD1-NH1 3.29Å; N1814-R2241 PolarHBondContact OD1-NH2 2.99Å; P2237-R2241 PolarHBondContact O-N 3.39Å; P2237-R2241 VanDerWaalsContact O-N 3.11Å; L2238-R2241 PolarHBondContact O-N 3.09Å; L2238-R2241 VanDerWaalsContact O-N 3.17Å; Y2239-R2241 VanDerWaalsContact C-N 3.26Å; Y2239-R2241 PolarHBondContact O-N 3.04Å; R2241-F2243 VanDerWaalsContact C-N 3.29Å; R2241-F2243 PolarHBondContact O-N 3.26Å; R2241-I2244 PolarHBondContact O-N 3.37Å; R2241-Y2245 HydrophobicContact CB-CD2 4.41Å; R2241-Y2245 HydrophobicContact CB-CE2 4.18Å; R2241-Y2245 HydrophobicContact CG-CD2 4Å; R2241-Y2245 HydrophobicContact CG-CE2 3.56Å; R2241-Y2245 PolarHBondContact NE-OH 3.21Å; R2241-Y2245 PolarHBondContact NH2-OH 3.17Å; R2241-Y2245 WeakPolarHBondContact O-CD2 3.42Å; R2241-Y2245 PolarHBondContact O-N 2.92Å; R2241-Y2245 VanDerWaalsContact O-N 3.12Å |
| 2242 | L | 79.7 | Confident | 69.3 | Low | 3.5 Ų | 3.5 | 44.3 Ų | 44.3 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 174 | -70.7 | 172.2 | 0 | 0 | 0 | 111.9 | W2157 I2161 L2164 C2224 Y2225 A2228 L2238 Y2239 Y2245 Q2246 | W2157-L2242 HydrophobicContact CH2-CD1 3.95Å; W2157-L2242 HydrophobicContact CH2-CD2 3.93Å; W2157-L2242 HydrophobicContact CH2-CG 3.84Å; W2157-L2242 HydrophobicContact CZ2-CD2 4.35Å; W2157-L2242 HydrophobicContact CZ2-CG 4.49Å; W2157-L2242 HydrophobicContact CZ3-CD1 4.41Å; I2161-L2242 HydrophobicContact CD1-CD2 3.81Å; L2164-L2242 HydrophobicContact CD2-CD2 3.93Å; C2224-L2242 HydrophobicContact CB-CD1 4.2Å; C2224-L2242 HydrophobicContact CB-CD2 3.59Å; C2224-L2242 HydrophobicContact CB-CG 4.35Å; Y2225-L2242 HydrophobicContact CD1-CD1 3.96Å; Y2225-L2242 HydrophobicContact CD2-CD1 4.47Å; Y2225-L2242 HydrophobicContact CE1-CB 4.14Å; Y2225-L2242 HydrophobicContact CE1-CD1 4.21Å; Y2225-L2242 HydrophobicContact CG-CD1 4.11Å; A2228-L2242 HydrophobicContact CB-CD1 3.98Å; L2238-L2242 PolarHBondContact O-N 3.11Å; Y2239-L2242 WeakPolarHBondContact O-CB 3.41Å; Y2239-L2242 PolarHBondContact O-N 3.03Å; Y2239-L2242 VanDerWaalsContact O-N 3.1Å; L2242-Y2245 PolarHBondContact O-N 2.91Å; L2242-Q2246 WeakPolarHBondContact O-CB 3.34Å; L2242-Q2246 WeakPolarHBondContact O-CG 3.34Å; L2242-Q2246 PolarHBondContact O-N 3.32Å; L2242-Q2246 VanDerWaalsContact O-N 3.08Å |
| 2243 | F | 71.5 | Confident | 68 | Low | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -47.9 | 174.7 | -120.3 | -85.1 | 0 | 0 | 0 | 112.2 | Y2239 K2240 R2241 Y2245 Q2246 E2247 N2254 I2333 E2338 | Y2239-F2243 AromaticContact CD1-CD2 3.77Å; Y2239-F2243 HydrophobicContact CD1-CD2 3.77Å; Y2239-F2243 AromaticContact CD1-CE2 3.32Å; Y2239-F2243 HydrophobicContact CD1-CE2 3.32Å; Y2239-F2243 HydrophobicContact CD1-CZ 4.36Å; Y2239-F2243 HydrophobicContact CD2-CD2 4.41Å; Y2239-F2243 AromaticContact CD2-CE2 3.35Å; Y2239-F2243 HydrophobicContact CD2-CE2 3.35Å; Y2239-F2243 AromaticContact CD2-CZ 3.93Å; Y2239-F2243 HydrophobicContact CD2-CZ 3.93Å; Y2239-F2243 AromaticContact CE1-CD2 3.63Å; Y2239-F2243 HydrophobicContact CE1-CD2 3.63Å; Y2239-F2243 AromaticContact CE1-CE2 3.01Å; Y2239-F2243 HydrophobicContact CE1-CE2 3.01Å; Y2239-F2243 AromaticContact CE1-CZ 3.72Å; Y2239-F2243 HydrophobicContact CE1-CZ 3.72Å; Y2239-F2243 HydrophobicContact CE2-CD2 4.27Å; Y2239-F2243 AromaticContact CE2-CE2 3.01Å; Y2239-F2243 HydrophobicContact CE2-CE2 3.01Å; Y2239-F2243 AromaticContact CE2-CZ 3.16Å; Y2239-F2243 HydrophobicContact CE2-CZ 3.16Å; Y2239-F2243 HydrophobicContact CG-CD2 4.2Å; Y2239-F2243 AromaticContact CG-CE2 3.51Å; Y2239-F2243 HydrophobicContact CG-CE2 3.51Å; Y2239-F2243 HydrophobicContact CG-CZ 4.48Å; Y2239-F2243 AromaticContact CZ-CD2 3.91Å; Y2239-F2243 AromaticContact CZ-CE2 2.85Å; Y2239-F2243 AromaticContact CZ-CZ 3.06Å; Y2239-F2243 WeakPolarHBondContact O-CB 3.48Å; Y2239-F2243 WeakPolarHBondContact O-CD2 3.34Å; Y2239-F2243 WeakPolarHBondContact O-CE2 3.29Å; Y2239-F2243 PolarHBondContact O-N 3.02Å; Y2239-F2243 VanDerWaalsContact O-N 3.12Å; Y2239-F2243 WeakPolarHBondContact OH-CE2 3.48Å; Y2239-F2243 WeakPolarHBondContact OH-CZ 3.12Å; K2240-F2243 WeakPolarHBondContact O-CB 3.49Å; K2240-F2243 PolarHBondContact O-N 3.21Å; R2241-F2243 VanDerWaalsContact C-N 3.29Å; R2241-F2243 PolarHBondContact O-N 3.26Å; F2243-Y2245 VanDerWaalsContact C-N 3.27Å; F2243-Y2245 PolarHBondContact O-N 3.28Å; F2243-Q2246 CarbonylContact O-C 3.49Å; F2243-Q2246 WeakPolarHBondContact O-CA 3.37Å; F2243-Q2246 VanDerWaalsContact O-CB 3.31Å; F2243-Q2246 WeakPolarHBondContact O-CB 3.43Å; F2243-Q2246 PolarHBondContact O-N 3.07Å; F2243-E2247 HydrophobicContact CD1-CG 4.23Å; F2243-E2247 HydrophobicContact CE1-CG 4.17Å; F2243-E2247 VanDerWaalsContact CE1-OE1 3.29Å; F2243-E2247 WeakPolarHBondContact CE1-OE1 3.25Å; F2243-E2247 VanDerWaalsContact O-CG 3.29Å; F2243-E2247 WeakPolarHBondContact O-CG 3.25Å; F2243-E2247 PolarHBondContact O-N 3.34Å; F2243-N2254 HydrophobicContact CE1-CB 4.49Å; F2243-N2254 HydrophobicContact CE2-CB 4.48Å; F2243-N2254 HydrophobicContact CZ-CB 3.81Å; F2243-I2333 HydrophobicContact CE1-CG2 4.45Å; F2243-E2338 VanDerWaalsContact CD2-OE1 3.23Å; F2243-E2338 WeakPolarHBondContact CD2-OE1 3.43Å; F2243-E2338 WeakPolarHBondContact CE1-OE2 3.32Å; F2243-E2338 WeakPolarHBondContact CG-OE1 3.36Å |
| 2244 | I | 71.1 | Confident | 66.9 | Low | 75.5 Ų | 75.5 | 51 Ų | 51 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56 | -44 | 177.5 | -67.4 | 165.4 | 0 | 0 | 0 | 110.9 | K2240 R2241 Q2246 E2247 C2248 | K2240-I2244 HydrophobicContact CD-CD1 4.37Å; K2240-I2244 HydrophobicContact CG-CD1 3.96Å; K2240-I2244 VanDerWaalsContact O-CG1 3.31Å; K2240-I2244 WeakPolarHBondContact O-CG1 3.21Å; K2240-I2244 PolarHBondContact O-N 3.05Å; R2241-I2244 PolarHBondContact O-N 3.37Å; I2244-Q2246 VanDerWaalsContact C-N 3.32Å; I2244-Q2246 PolarHBondContact O-N 3.15Å; I2244-E2247 WeakPolarHBondContact O-CB 3.13Å; I2244-E2247 PolarHBondContact O-N 3.2Å; I2244-C2248 PolarHBondContact O-N 3.15Å; I2244-C2248 VanDerWaalsContact O-N 3.12Å; I2244-C2248 PolarHBondContact O-SG 2.95Å |
| 2245 | Y | 69.5 | Low | 66 | Low | 55 Ų | 55 | 52.4 Ų | 52.4 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.1 | -74.5 | -58.1 | 0 | 0 | 0 | 111.9 | I2161 I2165 R2241 L2242 F2243 E2247 C2248 Y2249 | I2161-Y2245 HydrophobicContact CD1-CD2 4.01Å; I2161-Y2245 HydrophobicContact CD1-CE2 3.96Å; I2161-Y2245 HydrophobicContact CG1-CE2 3.95Å; I2161-Y2245 HydrophobicContact CG2-CD2 4.43Å; I2161-Y2245 HydrophobicContact CG2-CE1 4.4Å; I2161-Y2245 HydrophobicContact CG2-CE2 3.81Å; I2165-Y2245 HydrophobicContact CD1-CD1 4.35Å; I2165-Y2245 HydrophobicContact CD1-CE1 3.91Å; I2165-Y2245 HydrophobicContact CD1-CE2 4.13Å; I2165-Y2245 WeakPolarHBondContact CD1-OH 3.19Å; I2165-Y2245 HydrophobicContact CG1-CD1 4.36Å; I2165-Y2245 HydrophobicContact CG1-CE1 4.12Å; I2165-Y2245 HydrophobicContact CG1-CE2 4.36Å; R2241-Y2245 HydrophobicContact CB-CD2 4.41Å; R2241-Y2245 HydrophobicContact CB-CE2 4.18Å; R2241-Y2245 HydrophobicContact CG-CD2 4Å; R2241-Y2245 HydrophobicContact CG-CE2 3.56Å; R2241-Y2245 PolarHBondContact NE-OH 3.21Å; R2241-Y2245 PolarHBondContact NH2-OH 3.17Å; R2241-Y2245 WeakPolarHBondContact O-CD2 3.42Å; R2241-Y2245 PolarHBondContact O-N 2.92Å; R2241-Y2245 VanDerWaalsContact O-N 3.12Å; L2242-Y2245 PolarHBondContact O-N 2.91Å; F2243-Y2245 VanDerWaalsContact C-N 3.27Å; F2243-Y2245 PolarHBondContact O-N 3.28Å; Y2245-E2247 VanDerWaalsContact C-N 3.28Å; Y2245-E2247 PolarHBondContact O-N 3.24Å; Y2245-C2248 PolarHBondContact O-N 3.09Å; Y2245-Y2249 WeakPolarHBondContact O-CD2 3.25Å; Y2245-Y2249 WeakPolarHBondContact O-CE2 3.37Å |
| 2246 | Q | 68.2 | Low | 65.4 | Low | 17.5 Ų | 17.5 | 55 Ų | 55 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 176.8 | -117.1 | 178.2 | -12.1 | 0 | 0 | 112.8 | E2221 Y2225 L2242 F2243 I2244 C2248 Y2249 S2250 L2257 | E2221-Q2246 PolarHBondContact OE1-NE2 2.97Å; Y2225-Q2246 PolarHBondContact OH-NE2 2.98Å; Y2225-Q2246 PolarHBondContact OH-OE1 3.05Å; L2242-Q2246 WeakPolarHBondContact O-CB 3.34Å; L2242-Q2246 WeakPolarHBondContact O-CG 3.34Å; L2242-Q2246 PolarHBondContact O-N 3.32Å; L2242-Q2246 VanDerWaalsContact O-N 3.08Å; F2243-Q2246 CarbonylContact O-C 3.49Å; F2243-Q2246 WeakPolarHBondContact O-CA 3.37Å; F2243-Q2246 VanDerWaalsContact O-CB 3.31Å; F2243-Q2246 WeakPolarHBondContact O-CB 3.43Å; F2243-Q2246 PolarHBondContact O-N 3.07Å; I2244-Q2246 VanDerWaalsContact C-N 3.32Å; I2244-Q2246 PolarHBondContact O-N 3.15Å; Q2246-C2248 VanDerWaalsContact C-N 3.33Å; Q2246-C2248 PolarHBondContact O-N 2.87Å; Q2246-Y2249 PolarHBondContact O-N 3.38Å; Q2246-S2250 WeakPolarHBondContact O-CB 3.24Å; Q2246-S2250 PolarHBondContact O-N 2.95Å; Q2246-S2250 VanDerWaalsContact O-N 3.11Å; Q2246-L2257 HydrophobicContact CB-CD2 3.61Å; Q2246-L2257 VanDerWaalsContact CD-CD2 3.43Å; Q2246-L2257 HydrophobicContact CG-CD2 3.51Å |
| 2247 | E | 60.5 | Low | 65.1 | Low | 80 Ų | 80 | 55.9 Ų | 55.9 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 175.9 | -60.8 | -166.2 | 139.7 | 0 | 0 | 112.3 | F2243 I2244 Y2245 Y2249 S2250 N2254 N2335 | F2243-E2247 HydrophobicContact CD1-CG 4.23Å; F2243-E2247 HydrophobicContact CE1-CG 4.17Å; F2243-E2247 VanDerWaalsContact CE1-OE1 3.29Å; F2243-E2247 WeakPolarHBondContact CE1-OE1 3.25Å; F2243-E2247 VanDerWaalsContact O-CG 3.29Å; F2243-E2247 WeakPolarHBondContact O-CG 3.25Å; F2243-E2247 PolarHBondContact O-N 3.34Å; I2244-E2247 WeakPolarHBondContact O-CB 3.13Å; I2244-E2247 PolarHBondContact O-N 3.2Å; Y2245-E2247 VanDerWaalsContact C-N 3.28Å; Y2245-E2247 PolarHBondContact O-N 3.24Å; E2247-Y2249 PolarHBondContact O-N 3.14Å; E2247-S2250 PolarHBondContact O-N 3.02Å; E2247-S2250 PolarHBondContact O-OG 3.25Å; E2247-N2254 WeakPolarHBondContact CB-ND2 3.47Å; E2247-N2254 WeakPolarHBondContact CG-ND2 3.48Å; E2247-N2254 PolarHBondContact OE1-ND2 3.29Å; E2247-N2335 VanDerWaalsContact CD-ND2 3.35Å; E2247-N2335 PolarHBondContact OE1-ND2 3.37Å; E2247-N2335 PolarHBondContact OE2-ND2 3.5Å; E2247-N2335 VanDerWaalsContact OE2-ND2 3.1Å |
| 2248 | C | 54.2 | Low | 65.2 | Low | 91 Ų | 91 | 54.1 Ų | 54.1 | 62% | 0.615 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.9 | -18.5 | 177.8 | -69.9 | 0 | 0 | 0 | 0 | 113.9 | I2244 Y2245 Q2246 | I2244-C2248 PolarHBondContact O-N 3.15Å; I2244-C2248 VanDerWaalsContact O-N 3.12Å; I2244-C2248 PolarHBondContact O-SG 2.95Å; Y2245-C2248 PolarHBondContact O-N 3.09Å; Q2246-C2248 VanDerWaalsContact C-N 3.33Å; Q2246-C2248 PolarHBondContact O-N 2.87Å |
| 2249 | Y | 56.2 | Low | 65.1 | Low | 73 Ų | 73 | 55.1 Ų | 55.1 | 29% | 0.286 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -117.7 | -9.3 | -174.5 | -54.3 | -59.8 | 0 | 0 | 0 | 114.4 | Y2168 Y2245 Q2246 E2247 T2251 | Y2168-Y2249 HydrophobicContact CD1-CD1 4.06Å; Y2168-Y2249 AromaticContact CD1-CD2 3.73Å; Y2168-Y2249 HydrophobicContact CD1-CD2 3.97Å; Y2168-Y2249 HydrophobicContact CD1-CE1 4.3Å; Y2168-Y2249 HydrophobicContact CD1-CE2 4.01Å; Y2168-Y2249 AromaticContact CD1-CG 3.79Å; Y2168-Y2249 HydrophobicContact CD1-CG 3.91Å; Y2168-Y2249 AromaticContact CD2-CD2 3.66Å; Y2168-Y2249 HydrophobicContact CD2-CD2 3.85Å; Y2168-Y2249 AromaticContact CD2-CE2 3.85Å; Y2168-Y2249 HydrophobicContact CD2-CE2 3.85Å; Y2168-Y2249 HydrophobicContact CD2-CG 4.25Å; Y2168-Y2249 AromaticContact CE1-CD2 3.98Å; Y2168-Y2249 HydrophobicContact CE1-CD2 3.98Å; Y2168-Y2249 HydrophobicContact CE1-CG 4.13Å; Y2168-Y2249 HydrophobicContact CE2-CD2 4.28Å; Y2168-Y2249 HydrophobicContact CE2-CE2 4.33Å; Y2168-Y2249 HydrophobicContact CG-CD1 4.31Å; Y2168-Y2249 AromaticContact CG-CD2 3.71Å; Y2168-Y2249 HydrophobicContact CG-CD2 3.71Å; Y2168-Y2249 HydrophobicContact CG-CE1 4.16Å; Y2168-Y2249 AromaticContact CG-CE2 3.56Å; Y2168-Y2249 HydrophobicContact CG-CE2 3.85Å; Y2168-Y2249 AromaticContact CG-CG 3.75Å; Y2168-Y2249 HydrophobicContact CG-CG 3.97Å; Y2168-Y2249 AromaticContact CG-CZ 3.77Å; Y2245-Y2249 WeakPolarHBondContact O-CD2 3.25Å; Y2245-Y2249 WeakPolarHBondContact O-CE2 3.37Å; Q2246-Y2249 PolarHBondContact O-N 3.38Å; E2247-Y2249 PolarHBondContact O-N 3.14Å; Y2249-T2251 VanDerWaalsContact C-N 3.28Å; Y2249-T2251 PolarHBondContact O-N 3.47Å |
| 2250 | S | 53.8 | Low | 65 | Low | 46 Ų | 46 | 57.1 Ų | 57.1 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | trans | -87.2 | 109.7 | 175.1 | 128.5 | 0 | 0 | 0 | 0 | 110.9 | Q2246 E2247 M2252 | Q2246-S2250 WeakPolarHBondContact O-CB 3.24Å; Q2246-S2250 PolarHBondContact O-N 2.95Å; Q2246-S2250 VanDerWaalsContact O-N 3.11Å; E2247-S2250 PolarHBondContact O-N 3.02Å; E2247-S2250 PolarHBondContact O-OG 3.25Å; S2250-M2252 VanDerWaalsContact C-N 3.3Å; S2250-M2252 PolarHBondContact OG-N 3Å | ||
| 2251 | T | 49.7 | Very low | 65.2 | Low | 120.5 Ų | 120.5 | 54.9 Ų | 54.9 | 74% | 0.739 | 29% | 0.292 | S | S | * | . | trans | -83.1 | -8.1 | 176 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | L2115 Y2249 | L2115-T2251 HydrophobicContact CD1-CG2 4.18Å; Y2249-T2251 VanDerWaalsContact C-N 3.28Å; Y2249-T2251 PolarHBondContact O-N 3.47Å | ||
| 2252 | M | 47.3 | Very low | 65.4 | Low | 112 Ų | 112 | 51.8 Ų | 51.8 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -98.7 | 128.6 | -171.3 | -78.3 | -91.2 | -172.9 | 0 | 0 | 112.2 | S2250 N2254 S2255 L2257 T2260 | S2250-M2252 VanDerWaalsContact C-N 3.3Å; S2250-M2252 PolarHBondContact OG-N 3Å; M2252-N2254 PolarHBondContact O-N 3.33Å; M2252-N2254 PolarHBondContact O-OD1 3.31Å; M2252-S2255 PolarHBondContact O-OG 2.89Å; M2252-L2257 HydrophobicContact CB-CD1 4.46Å; M2252-T2260 HydrophobicContact CE-CG2 4.36Å; M2252-T2260 HydrophobicContact SD-CG2 4.2Å |
| 2253 | N | 49.5 | Very low | 65.2 | Low | 103 Ų | 103 | 52.3 Ų | 52.3 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | trans | -4.4 | 137.5 | 169.7 | -119 | -17.7 | 0 | 0 | 0 | 112.5 | S2255 T2256 Q2382 | N2253-S2255 VanDerWaalsContact C-N 3.28Å; N2253-S2255 PolarHBondContact O-N 3.32Å; N2253-S2255 PolarHBondContact OD1-OG 2.96Å; N2253-T2256 PolarHBondContact O-N 3.16Å; N2253-T2256 PolarHBondContact O-OG1 3.22Å; N2253-T2256 VanDerWaalsContact O-OG1 3.12Å; N2253-Q2382 PolarHBondContact ND2-NE2 2.84Å; N2253-Q2382 PolarHBondContact ND2-OE1 3.48Å | ||
| 2254 | N | 49.7 | Very low | 65.3 | Low | 101.5 Ų | 101.5 | 53.5 Ų | 53.5 | 54% | 0.543 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -62.6 | -5.4 | -173.5 | -69.1 | -29.2 | 0 | 0 | 0 | 114.9 | F2243 E2247 M2252 T2256 L2257 | F2243-N2254 HydrophobicContact CE1-CB 4.49Å; F2243-N2254 HydrophobicContact CE2-CB 4.48Å; F2243-N2254 HydrophobicContact CZ-CB 3.81Å; E2247-N2254 WeakPolarHBondContact CB-ND2 3.47Å; E2247-N2254 WeakPolarHBondContact CG-ND2 3.48Å; E2247-N2254 PolarHBondContact OE1-ND2 3.29Å; M2252-N2254 PolarHBondContact O-N 3.33Å; M2252-N2254 PolarHBondContact O-OD1 3.31Å; N2254-T2256 PolarHBondContact O-N 3.3Å; N2254-L2257 WeakPolarHBondContact O-CB 3.37Å; N2254-L2257 PolarHBondContact O-N 3.5Å |
| 2255 | S | 56.2 | Low | 65.2 | Low | 39 Ų | 39 | 53.1 Ų | 53.1 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -68.7 | 51 | 174.6 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | M2252 N2253 W2258 | M2252-S2255 PolarHBondContact O-OG 2.89Å; N2253-S2255 VanDerWaalsContact C-N 3.28Å; N2253-S2255 PolarHBondContact O-N 3.32Å; N2253-S2255 PolarHBondContact OD1-OG 2.96Å; S2255-W2258 PolarHBondContact O-NE1 3.42Å |
| 2256 | T | 65.9 | Low | 65.3 | Low | 54.5 Ų | 54.5 | 50.5 Ų | 50.5 | 33% | 0.334 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -85.9 | 74.4 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | N2253 N2254 W2258 Y2259 T2260 | N2253-T2256 PolarHBondContact O-N 3.16Å; N2253-T2256 PolarHBondContact O-OG1 3.22Å; N2253-T2256 VanDerWaalsContact O-OG1 3.12Å; N2254-T2256 PolarHBondContact O-N 3.3Å; T2256-W2258 PolarHBondContact O-N 2.84Å; T2256-W2258 VanDerWaalsContact O-N 3.1Å; T2256-Y2259 WeakPolarHBondContact O-CA 3.43Å; T2256-Y2259 VanDerWaalsContact O-CB 3.31Å; T2256-Y2259 WeakPolarHBondContact O-CB 3.38Å; T2256-Y2259 PolarHBondContact O-N 3.36Å; T2256-T2260 PolarHBondContact O-N 3.36Å |
| 2257 | L | 72.3 | Confident | 65.6 | Low | 22.5 Ų | 22.5 | 50.1 Ų | 50.1 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.1 | -40.2 | 179.7 | -179 | 67 | 0 | 0 | 0 | 112.4 | Q2246 M2252 N2254 Y2259 T2260 Q2261 | Q2246-L2257 HydrophobicContact CB-CD2 3.61Å; Q2246-L2257 VanDerWaalsContact CD-CD2 3.43Å; Q2246-L2257 HydrophobicContact CG-CD2 3.51Å; M2252-L2257 HydrophobicContact CB-CD1 4.46Å; N2254-L2257 WeakPolarHBondContact O-CB 3.37Å; N2254-L2257 PolarHBondContact O-N 3.5Å; L2257-Y2259 VanDerWaalsContact C-N 3.31Å; L2257-Y2259 PolarHBondContact O-N 3.19Å; L2257-T2260 PolarHBondContact O-N 2.96Å; L2257-T2260 VanDerWaalsContact O-N 3.14Å; L2257-T2260 PolarHBondContact O-OG1 3.27Å; L2257-Q2261 HydrophobicContact CD1-CG 4.47Å; L2257-Q2261 HydrophobicContact CG-CG 4.45Å; L2257-Q2261 WeakPolarHBondContact O-CB 3.45Å; L2257-Q2261 WeakPolarHBondContact O-CG 3.16Å; L2257-Q2261 PolarHBondContact O-N 3.18Å |
| 2258 | W | 79.8 | Confident | 66.3 | Low | 6.5 Ų | 6.5 | 46.6 Ų | 46.6 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.1 | -41.1 | 173.7 | 119.1 | -5.2 | 0 | 0 | 0 | 111.8 | S2255 T2256 T2260 Q2261 A2262 S2273 N2276 A2277 F2344 F2349 L2352 L2432 | S2255-W2258 PolarHBondContact O-NE1 3.42Å; T2256-W2258 PolarHBondContact O-N 2.84Å; T2256-W2258 VanDerWaalsContact O-N 3.1Å; W2258-T2260 VanDerWaalsContact C-N 3.34Å; W2258-T2260 PolarHBondContact O-N 2.82Å; W2258-Q2261 PolarHBondContact O-N 3.28Å; W2258-A2262 HydrophobicContact CZ2-CB 4.36Å; W2258-A2262 VanDerWaalsContact O-CB 3.31Å; W2258-A2262 WeakPolarHBondContact O-CB 3.33Å; W2258-A2262 PolarHBondContact O-N 3.21Å; W2258-S2273 VanDerWaalsContact CD1-O 3.3Å; W2258-S2273 PolarHBondContact NE1-O 3.38Å; W2258-S2273 WeakPolarHBondContact O-CB 3.46Å; W2258-N2276 HydrophobicContact CB-CB 4.43Å; W2258-A2277 HydrophobicContact CE3-CB 3.96Å; W2258-A2277 HydrophobicContact CZ2-CB 4.48Å; W2258-A2277 HydrophobicContact CZ3-CB 4.25Å; W2258-F2344 HydrophobicContact CD2-CE2 4.23Å; W2258-F2344 AromaticContact CD2-CZ 3.87Å; W2258-F2344 HydrophobicContact CD2-CZ 3.95Å; W2258-F2344 AromaticContact CE2-CE2 3.6Å; W2258-F2344 AromaticContact CE2-CZ 3.57Å; W2258-F2344 VanDerWaalsContact CE2-CZ 3.5Å; W2258-F2344 HydrophobicContact CE3-CE2 4.03Å; W2258-F2344 HydrophobicContact CE3-CZ 4.33Å; W2258-F2344 HydrophobicContact CG-CZ 4.41Å; W2258-F2344 AromaticContact CH2-CZ 3.91Å; W2258-F2344 HydrophobicContact CH2-CZ 4.05Å; W2258-F2344 AromaticContact CZ2-CE2 3.65Å; W2258-F2344 HydrophobicContact CZ2-CE2 3.65Å; W2258-F2344 AromaticContact CZ2-CZ 3.63Å; W2258-F2344 HydrophobicContact CZ2-CZ 3.63Å; W2258-F2344 VanDerWaalsContact CZ2-CZ 3.44Å; W2258-F2344 HydrophobicContact CZ3-CE2 4.28Å; W2258-F2344 HydrophobicContact CZ3-CZ 4.37Å; W2258-F2344 AromaticContact NE1-CE2 3.59Å; W2258-F2344 AromaticContact NE1-CZ 3.93Å; W2258-F2349 HydrophobicContact CH2-CB 4.4Å; W2258-F2349 AromaticContact CH2-CD2 3.67Å; W2258-F2349 HydrophobicContact CH2-CD2 4.03Å; W2258-F2349 HydrophobicContact CH2-CE2 4.42Å; W2258-F2349 HydrophobicContact CH2-CG 4.42Å; W2258-F2349 AromaticContact CZ2-CD2 3.9Å; W2258-F2349 HydrophobicContact CZ2-CD2 3.9Å; W2258-F2349 AromaticContact CZ3-CD2 3.82Å; W2258-F2349 HydrophobicContact CZ3-CD2 3.82Å; W2258-F2349 HydrophobicContact CZ3-CE2 4.16Å; W2258-L2352 HydrophobicContact CH2-CB 4.42Å; W2258-L2352 HydrophobicContact CH2-CD1 4.01Å; W2258-L2352 HydrophobicContact CH2-CD2 3.58Å; W2258-L2352 HydrophobicContact CZ2-CD1 3.83Å; W2258-L2352 HydrophobicContact CZ2-CD2 4.2Å; W2258-L2352 HydrophobicContact CZ3-CD2 4.17Å; W2258-L2432 HydrophobicContact CH2-CD2 4.46Å; W2258-L2432 HydrophobicContact CZ3-CD2 3.81Å |
| 2259 | Y | 80.4 | Confident | 67.5 | Low | 22 Ų | 22 | 42.9 Ų | 42.9 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.2 | -40.7 | -178.6 | 179.2 | -96 | 0 | 0 | 0 | 111.8 | T2256 L2257 Q2261 A2262 C2263 L2352 R2355 D2356 R2428 L2432 | T2256-Y2259 WeakPolarHBondContact O-CA 3.43Å; T2256-Y2259 VanDerWaalsContact O-CB 3.31Å; T2256-Y2259 WeakPolarHBondContact O-CB 3.38Å; T2256-Y2259 PolarHBondContact O-N 3.36Å; L2257-Y2259 VanDerWaalsContact C-N 3.31Å; L2257-Y2259 PolarHBondContact O-N 3.19Å; Y2259-Q2261 VanDerWaalsContact C-N 3.32Å; Y2259-Q2261 PolarHBondContact O-N 3.33Å; Y2259-A2262 WeakPolarHBondContact O-CB 3.42Å; Y2259-A2262 PolarHBondContact O-N 3.25Å; Y2259-A2262 VanDerWaalsContact O-N 3.13Å; Y2259-C2263 WeakPolarHBondContact O-CB 3.29Å; Y2259-C2263 PolarHBondContact O-N 3.09Å; Y2259-C2263 PolarHBondContact O-SG 3.24Å; Y2259-L2352 HydrophobicContact CD1-CD1 4.3Å; Y2259-L2352 HydrophobicContact CD1-CD2 4.2Å; Y2259-L2352 HydrophobicContact CD2-CB 4.07Å; Y2259-L2352 HydrophobicContact CD2-CD1 3.78Å; Y2259-L2352 HydrophobicContact CD2-CG 4.35Å; Y2259-L2352 HydrophobicContact CE1-CD2 3.75Å; Y2259-L2352 HydrophobicContact CE2-CB 3.55Å; Y2259-L2352 HydrophobicContact CE2-CD1 4.04Å; Y2259-L2352 HydrophobicContact CE2-CD2 4.15Å; Y2259-L2352 HydrophobicContact CE2-CG 4.13Å; Y2259-L2352 HydrophobicContact CG-CD1 3.87Å; Y2259-R2355 VanDerWaalsContact OH-CZ 3.28Å; Y2259-R2355 PolarHBondContact OH-NE 3.47Å; Y2259-R2355 PolarHBondContact OH-NH1 2.54Å; Y2259-R2355 PolarHBondContact OH-NH2 3.4Å; Y2259-D2356 VanDerWaalsContact CZ-OD2 3.32Å; Y2259-D2356 PolarHBondContact OH-OD1 2.89Å; Y2259-D2356 PolarHBondContact OH-OD2 3.28Å; Y2259-R2428 VanDerWaalsContact CE1-NH1 3.33Å; Y2259-R2428 HydrophobicContact CE2-CG 4.47Å; Y2259-L2432 HydrophobicContact CD2-CD1 4.49Å; Y2259-L2432 HydrophobicContact CE2-CD1 3.91Å |
| 2260 | T | 77.2 | Confident | 68.6 | Low | 42.5 Ų | 42.5 | 39.5 Ų | 39.5 | 26% | 0.261 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -37.6 | 175.2 | 61.8 | 0 | 0 | 0 | 0 | 112 | M2252 T2256 L2257 W2258 A2262 C2263 N2264 | M2252-T2260 HydrophobicContact CE-CG2 4.36Å; M2252-T2260 HydrophobicContact SD-CG2 4.2Å; T2256-T2260 PolarHBondContact O-N 3.36Å; L2257-T2260 PolarHBondContact O-N 2.96Å; L2257-T2260 VanDerWaalsContact O-N 3.14Å; L2257-T2260 PolarHBondContact O-OG1 3.27Å; W2258-T2260 VanDerWaalsContact C-N 3.34Å; W2258-T2260 PolarHBondContact O-N 2.82Å; T2260-A2262 PolarHBondContact O-N 3.32Å; T2260-C2263 WeakPolarHBondContact O-CB 3.49Å; T2260-C2263 PolarHBondContact O-N 3.22Å; T2260-C2263 PolarHBondContact O-SG 3.38Å; T2260-N2264 PolarHBondContact O-N 3.13Å |
| 2261 | Q | 79.2 | Confident | 69.9 | Low | 15.5 Ų | 15.5 | 37.7 Ų | 37.7 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.4 | -33.3 | 174.7 | -71.7 | 177.6 | -23.3 | 0 | 0 | 112.8 | E2221 L2257 W2258 Y2259 C2263 N2264 | E2221-Q2261 PolarHBondContact OE1-NE2 2.95Å; E2221-Q2261 PolarHBondContact OE2-NE2 3.37Å; E2221-Q2261 VanDerWaalsContact OE2-NE2 3.1Å; L2257-Q2261 HydrophobicContact CD1-CG 4.47Å; L2257-Q2261 HydrophobicContact CG-CG 4.45Å; L2257-Q2261 WeakPolarHBondContact O-CB 3.45Å; L2257-Q2261 WeakPolarHBondContact O-CG 3.16Å; L2257-Q2261 PolarHBondContact O-N 3.18Å; W2258-Q2261 PolarHBondContact O-N 3.28Å; Y2259-Q2261 VanDerWaalsContact C-N 3.32Å; Y2259-Q2261 PolarHBondContact O-N 3.33Å; Q2261-C2263 VanDerWaalsContact C-N 3.29Å; Q2261-C2263 PolarHBondContact O-N 3.01Å; Q2261-N2264 VanDerWaalsContact O-CB 3.25Å; Q2261-N2264 WeakPolarHBondContact O-CB 3.38Å; Q2261-N2264 PolarHBondContact O-N 2.77Å; Q2261-N2264 VanDerWaalsContact O-N 3.14Å |
| 2262 | A | 81 | Confident | 71.4 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | W2258 Y2259 T2260 N2264 R2270 S2273 L2352 R2428 | W2258-A2262 HydrophobicContact CZ2-CB 4.36Å; W2258-A2262 VanDerWaalsContact O-CB 3.31Å; W2258-A2262 WeakPolarHBondContact O-CB 3.33Å; W2258-A2262 PolarHBondContact O-N 3.21Å; Y2259-A2262 WeakPolarHBondContact O-CB 3.42Å; Y2259-A2262 PolarHBondContact O-N 3.25Å; Y2259-A2262 VanDerWaalsContact O-N 3.13Å; T2260-A2262 PolarHBondContact O-N 3.32Å; A2262-N2264 VanDerWaalsContact C-N 3.33Å; A2262-R2270 VanDerWaalsContact O-CD 3.26Å; A2262-R2270 WeakPolarHBondContact O-CD 3.23Å; A2262-R2270 WeakPolarHBondContact O-CG 3.5Å; A2262-S2273 VanDerWaalsContact CA-OG 3.23Å; A2262-S2273 WeakPolarHBondContact CA-OG 3.46Å; A2262-S2273 PolarHBondContact N-OG 2.66Å; A2262-L2352 HydrophobicContact CB-CD2 4.03Å; A2262-R2428 HydrophobicContact CB-CG 4.1Å; A2262-R2428 VanDerWaalsContact O-CA 3.3Å; A2262-R2428 WeakPolarHBondContact O-CA 3.2Å |
| 2263 | C | 76.1 | Confident | 73.2 | Confident | 14.5 Ų | 14.5 | 27 Ų | 27 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.8 | 175.8 | -48.6 | 0 | 0 | 0 | 0 | 113.5 | Y2259 T2260 Q2261 E2381 V2424 R2428 | Y2259-C2263 WeakPolarHBondContact O-CB 3.29Å; Y2259-C2263 PolarHBondContact O-N 3.09Å; Y2259-C2263 PolarHBondContact O-SG 3.24Å; T2260-C2263 WeakPolarHBondContact O-CB 3.49Å; T2260-C2263 PolarHBondContact O-N 3.22Å; T2260-C2263 PolarHBondContact O-SG 3.38Å; Q2261-C2263 VanDerWaalsContact C-N 3.29Å; Q2261-C2263 PolarHBondContact O-N 3.01Å; C2263-E2381 WeakPolarHBondContact CB-OE1 3.39Å; C2263-V2424 HydrophobicContact CB-CG1 3.92Å; C2263-R2428 WeakPolarHBondContact SG-CD 3.36Å; C2263-R2428 PolarHBondContact SG-NE 3.36Å; C2263-R2428 PolarHBondContact SG-NH1 2.82Å |
| 2264 | N | 73.4 | Confident | 74.9 | Confident | 31.5 Ų | 31.5 | 22.1 Ų | 22.1 | 17% | 0.168 | 12% | 0.124 | C | C | . | . | trans | -66.6 | 147.3 | -171.1 | -158.7 | -72.1 | 0 | 0 | 0 | 111.8 | N2118 T2260 Q2261 A2262 S2266 L2269 R2270 | N2118-N2264 PolarHBondContact OD1-ND2 2.99Å; T2260-N2264 PolarHBondContact O-N 3.13Å; Q2261-N2264 VanDerWaalsContact O-CB 3.25Å; Q2261-N2264 WeakPolarHBondContact O-CB 3.38Å; Q2261-N2264 PolarHBondContact O-N 2.77Å; Q2261-N2264 VanDerWaalsContact O-N 3.14Å; A2262-N2264 VanDerWaalsContact C-N 3.33Å; N2264-S2266 VanDerWaalsContact C-N 3.34Å; N2264-S2266 PolarHBondContact O-N 2.83Å; N2264-S2266 WeakPolarHBondContact OD1-CB 3.07Å; N2264-S2266 PolarHBondContact OD1-N 3.02Å; N2264-L2269 HydrophobicContact CB-CB 4Å; N2264-L2269 HydrophobicContact CB-CD1 4.18Å; N2264-L2269 VanDerWaalsContact CG-CD1 3.45Å; N2264-L2269 WeakPolarHBondContact ND2-CD1 3.38Å; N2264-R2270 VanDerWaalsContact O-CD 3.28Å; N2264-R2270 WeakPolarHBondContact O-CD 3.24Å; N2264-R2270 VanDerWaalsContact O-CG 3.26Å; N2264-R2270 WeakPolarHBondContact O-CG 3.39Å; N2264-R2270 PolarHBondContact O-NH1 2.98Å | ||
| 2265 | N | 69.2 | Low | 76.6 | Confident | 66.5 Ų | 66.5 | 18.4 Ų | 18.4 | 36% | 0.356 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -68.6 | -24.3 | 174.6 | -70.2 | -11.1 | 0 | 0 | 0 | 112.4 | V2267 R2270 | N2265-V2267 PolarHBondContact O-N 3.17Å; N2265-R2270 PolarHBondContact O-NH1 3Å |
| 2266 | S | 72.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | trans | -70.4 | 122.2 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | V2119 A2124 N2264 W2268 L2269 R2270 | V2119-S2266 VanDerWaalsContact O-CB 3.28Å; V2119-S2266 WeakPolarHBondContact O-CB 2.8Å; V2119-S2266 PolarHBondContact O-OG 3.37Å; A2124-S2266 PolarHBondContact O-OG 2.93Å; N2264-S2266 VanDerWaalsContact C-N 3.34Å; N2264-S2266 PolarHBondContact O-N 2.83Å; N2264-S2266 WeakPolarHBondContact OD1-CB 3.07Å; N2264-S2266 PolarHBondContact OD1-N 3.02Å; S2266-W2268 VanDerWaalsContact C-N 3.3Å; S2266-W2268 PolarHBondContact O-N 3.34Å; S2266-W2268 PolarHBondContact OG-N 3.06Å; S2266-W2268 PolarHBondContact OG-NE1 3.44Å; S2266-L2269 PolarHBondContact O-N 3.29Å; S2266-L2269 PolarHBondContact OG-N 3.14Å; S2266-R2270 WeakPolarHBondContact O-CG 3.39Å; S2266-R2270 PolarHBondContact O-N 3.22Å; S2266-R2270 VanDerWaalsContact O-N 3.08Å | ||
| 2267 | V | 74 | Confident | 78.8 | Confident | 8 Ų | 8 | 14.1 Ų | 14.1 | 5% | 0.048 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.9 | -41.7 | 178 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | P2077 Y2079 A2080 A2084 Q2121 F2128 N2265 L2269 R2270 D2271 | P2077-V2267 HydrophobicContact CB-CG1 4.01Å; P2077-V2267 HydrophobicContact CG-CG1 3.61Å; Y2079-V2267 HydrophobicContact CD1-CG1 4.46Å; A2080-V2267 HydrophobicContact CB-CG1 3.48Å; A2080-V2267 VanDerWaalsContact CB-CG1 3.48Å; A2084-V2267 VanDerWaalsContact CA-CG2 3.45Å; A2084-V2267 HydrophobicContact CB-CB 4.25Å; A2084-V2267 HydrophobicContact CB-CG1 3.44Å; A2084-V2267 VanDerWaalsContact CB-CG1 3.44Å; A2084-V2267 HydrophobicContact CB-CG2 3.67Å; A2084-V2267 WeakPolarHBondContact CB-O 3.39Å; Q2121-V2267 HydrophobicContact CB-CG2 4.33Å; Q2121-V2267 HydrophobicContact CG-CB 4.25Å; Q2121-V2267 HydrophobicContact CG-CG2 4.1Å; F2128-V2267 HydrophobicContact CD2-CG1 4.46Å; F2128-V2267 HydrophobicContact CD2-CG2 4.13Å; F2128-V2267 HydrophobicContact CE2-CG1 4.38Å; F2128-V2267 HydrophobicContact CE2-CG2 3.72Å; N2265-V2267 PolarHBondContact O-N 3.17Å; V2267-L2269 PolarHBondContact O-N 2.92Å; V2267-R2270 PolarHBondContact O-N 3.36Å; V2267-D2271 WeakPolarHBondContact O-CB 3.35Å; V2267-D2271 PolarHBondContact O-N 3.09Å |
| 2268 | W | 75.6 | Confident | 79.4 | Confident | 7 Ų | 7 | 13.5 Ų | 13.5 | 3% | 0.027 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -70.1 | -33.6 | -178.3 | 8.2 | -168.3 | 0 | 0 | 0 | 112.9 | T2075 P2077 A2124 G2125 G2126 P2127 R2130 F2133 V2218 E2221 R2222 S2266 D2271 L2272 | T2075-W2268 HydrophobicContact CG2-CH2 3.91Å; T2075-W2268 HydrophobicContact CG2-CZ3 3.97Å; P2077-W2268 HydrophobicContact CG-CD2 4.35Å; P2077-W2268 HydrophobicContact CG-CE3 4.09Å; P2077-W2268 HydrophobicContact CG-CH2 4.07Å; P2077-W2268 HydrophobicContact CG-CZ2 4.3Å; P2077-W2268 HydrophobicContact CG-CZ3 3.95Å; A2124-W2268 VanDerWaalsContact CB-CD1 3.47Å; A2124-W2268 VanDerWaalsContact CB-NE1 3.26Å; A2124-W2268 WeakPolarHBondContact O-CB 3.5Å; G2125-W2268 PolarHBondContact O-NE1 3.22Å; G2126-W2268 PolarHBondContact O-NE1 2.66Å; P2127-W2268 WeakPolarHBondContact O-CZ2 3.24Å; R2130-W2268 HydrophobicContact CG-CH2 3.8Å; R2130-W2268 HydrophobicContact CG-CZ2 3.63Å; F2133-W2268 HydrophobicContact CE2-CE3 4.19Å; F2133-W2268 HydrophobicContact CE2-CH2 4.17Å; F2133-W2268 AromaticContact CE2-CZ3 3.76Å; F2133-W2268 HydrophobicContact CE2-CZ3 3.76Å; F2133-W2268 HydrophobicContact CZ-CE3 4.43Å; F2133-W2268 HydrophobicContact CZ-CZ3 4.35Å; V2218-W2268 HydrophobicContact CG1-CD2 3.8Å; V2218-W2268 HydrophobicContact CG1-CE3 4.1Å; V2218-W2268 HydrophobicContact CG1-CG 4.1Å; V2218-W2268 HydrophobicContact CG1-CZ2 4.48Å; V2218-W2268 HydrophobicContact CG2-CD2 4.4Å; V2218-W2268 HydrophobicContact CG2-CH2 4.29Å; V2218-W2268 HydrophobicContact CG2-CZ2 3.69Å; E2221-W2268 HydrophobicContact CG-CZ3 4.41Å; E2221-W2268 VanDerWaalsContact OE2-CH2 3.27Å; E2221-W2268 WeakPolarHBondContact OE2-CH2 3.38Å; R2222-W2268 HydrophobicContact CG-CE3 4.2Å; S2266-W2268 VanDerWaalsContact C-N 3.3Å; S2266-W2268 PolarHBondContact O-N 3.34Å; S2266-W2268 PolarHBondContact OG-N 3.06Å; S2266-W2268 PolarHBondContact OG-NE1 3.44Å; W2268-D2271 PolarHBondContact O-N 3.41Å; W2268-L2272 HydrophobicContact CE3-CB 4.41Å; W2268-L2272 HydrophobicContact CE3-CD2 4.38Å; W2268-L2272 HydrophobicContact CZ3-CD2 3.72Å; W2268-L2272 VanDerWaalsContact O-CB 3.31Å; W2268-L2272 WeakPolarHBondContact O-CB 3.38Å; W2268-L2272 PolarHBondContact O-N 3.12Å |
| 2269 | L | 78.4 | Confident | 79.4 | Confident | 13 Ų | 13 | 13.8 Ų | 13.8 | 7% | 0.068 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.3 | -39 | 173.9 | -74.9 | 175.2 | 0 | 0 | 0 | 111.2 | T2117 V2218 N2264 S2266 V2267 D2271 L2272 S2273 | T2117-L2269 WeakPolarHBondContact O-CD1 2.96Å; V2218-L2269 HydrophobicContact CG2-CD2 3.81Å; V2218-L2269 HydrophobicContact CG2-CG 4.38Å; N2264-L2269 HydrophobicContact CB-CB 4Å; N2264-L2269 HydrophobicContact CB-CD1 4.18Å; N2264-L2269 VanDerWaalsContact CG-CD1 3.45Å; N2264-L2269 WeakPolarHBondContact ND2-CD1 3.38Å; S2266-L2269 PolarHBondContact O-N 3.29Å; S2266-L2269 PolarHBondContact OG-N 3.14Å; V2267-L2269 PolarHBondContact O-N 2.92Å; L2269-D2271 VanDerWaalsContact C-N 3.32Å; L2269-L2272 WeakPolarHBondContact O-CB 3.39Å; L2269-L2272 PolarHBondContact O-N 3.22Å; L2269-S2273 WeakPolarHBondContact O-CB 3.39Å; L2269-S2273 PolarHBondContact O-N 3.32Å; L2269-S2273 PolarHBondContact O-OG 3.41Å |
| 2270 | R | 80.3 | Confident | 79.4 | Confident | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 171.9 | -66.3 | -162.4 | -59.1 | -83.7 | 3.6 | 112 | F2083 A2084 G2085 A2262 N2264 N2265 S2266 V2267 L2272 S2273 A2274 C2431 | F2083-R2270 PolarHBondContact O-NH2 3.47Å; A2084-R2270 HydrophobicContact CB-CB 3.7Å; G2085-R2270 PolarHBondContact O-NH2 3.24Å; A2262-R2270 VanDerWaalsContact O-CD 3.26Å; A2262-R2270 WeakPolarHBondContact O-CD 3.23Å; A2262-R2270 WeakPolarHBondContact O-CG 3.5Å; N2264-R2270 VanDerWaalsContact O-CD 3.28Å; N2264-R2270 WeakPolarHBondContact O-CD 3.24Å; N2264-R2270 VanDerWaalsContact O-CG 3.26Å; N2264-R2270 WeakPolarHBondContact O-CG 3.39Å; N2264-R2270 PolarHBondContact O-NH1 2.98Å; N2265-R2270 PolarHBondContact O-NH1 3Å; S2266-R2270 WeakPolarHBondContact O-CG 3.39Å; S2266-R2270 PolarHBondContact O-N 3.22Å; S2266-R2270 VanDerWaalsContact O-N 3.08Å; V2267-R2270 PolarHBondContact O-N 3.36Å; R2270-L2272 VanDerWaalsContact C-N 3.29Å; R2270-L2272 PolarHBondContact O-N 3.49Å; R2270-S2273 VanDerWaalsContact C-OG 3.25Å; R2270-S2273 VanDerWaalsContact CA-OG 3.23Å; R2270-S2273 WeakPolarHBondContact CA-OG 3.42Å; R2270-S2273 PolarHBondContact O-N 3.24Å; R2270-S2273 VanDerWaalsContact O-N 3.17Å; R2270-S2273 PolarHBondContact O-OG 3.1Å; R2270-A2274 WeakPolarHBondContact O-CB 3.31Å; R2270-A2274 PolarHBondContact O-N 3.14Å; R2270-C2431 PolarHBondContact O-SG 3.1Å |
| 2271 | D | 80.1 | Confident | 79.5 | Confident | 7 Ų | 7 | 11.3 Ų | 11.3 | 4% | 0.037 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.8 | -37.7 | 177.2 | -168.4 | 61.9 | 0 | 0 | 0 | 112.7 | P2077 N2078 Y2079 A2080 G2081 R2082 F2083 A2084 R2222 V2267 W2268 L2269 A2274 S2275 | P2077-D2271 HydrophobicContact CB-CB 4.01Å; N2078-D2271 PolarHBondContact N-OD1 3.29Å; Y2079-D2271 PolarHBondContact N-OD1 2.83Å; A2080-D2271 HydrophobicContact CB-CB 4.42Å; G2081-D2271 WeakPolarHBondContact CA-OD1 3.37Å; G2081-D2271 WeakPolarHBondContact CA-OD2 3.43Å; R2082-D2271 PolarHBondContact N-OD1 3.1Å; F2083-D2271 WeakPolarHBondContact CD2-OD1 3.44Å; F2083-D2271 PolarHBondContact N-OD1 3.4Å; A2084-D2271 HydrophobicContact CB-CB 4.31Å; R2222-D2271 IonicContact NH1-OD2 3.62Å; R2222-D2271 IonicContact NH2-OD2 3.1Å; V2267-D2271 WeakPolarHBondContact O-CB 3.35Å; V2267-D2271 PolarHBondContact O-N 3.09Å; W2268-D2271 PolarHBondContact O-N 3.41Å; L2269-D2271 VanDerWaalsContact C-N 3.32Å; D2271-A2274 WeakPolarHBondContact O-CB 3.31Å; D2271-A2274 PolarHBondContact O-N 3.23Å; D2271-S2275 WeakPolarHBondContact O-CB 3.47Å; D2271-S2275 PolarHBondContact O-N 3.37Å; D2271-S2275 PolarHBondContact O-OG 3.12Å |
| 2272 | L | 81.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 12.1 Ų | 12.1 | 3% | 0.031 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.6 | -45.2 | 173.7 | -178.6 | 58.7 | 0 | 0 | 0 | 111.4 | E2221 R2222 Y2225 F2229 W2268 L2269 R2270 A2274 S2275 N2276 | E2221-L2272 HydrophobicContact CB-CD2 4.24Å; E2221-L2272 HydrophobicContact CG-CD2 4.1Å; R2222-L2272 HydrophobicContact CG-CD1 3.87Å; R2222-L2272 HydrophobicContact CG-CD2 4.21Å; Y2225-L2272 HydrophobicContact CD1-CD1 3.85Å; Y2225-L2272 HydrophobicContact CD2-CD1 3.49Å; Y2225-L2272 VanDerWaalsContact CD2-CD1 3.46Å; Y2225-L2272 HydrophobicContact CD2-CD2 4.26Å; Y2225-L2272 HydrophobicContact CD2-CG 4.29Å; Y2225-L2272 HydrophobicContact CE1-CD1 4.25Å; Y2225-L2272 HydrophobicContact CE2-CD1 3.99Å; Y2225-L2272 HydrophobicContact CE2-CD2 3.9Å; Y2225-L2272 HydrophobicContact CE2-CG 4.25Å; Y2225-L2272 HydrophobicContact CG-CD1 3.75Å; Y2225-L2272 VanDerWaalsContact CG-CD1 3.45Å; F2229-L2272 HydrophobicContact CE2-CD1 4.32Å; W2268-L2272 HydrophobicContact CE3-CB 4.41Å; W2268-L2272 HydrophobicContact CE3-CD2 4.38Å; W2268-L2272 HydrophobicContact CZ3-CD2 3.72Å; W2268-L2272 VanDerWaalsContact O-CB 3.31Å; W2268-L2272 WeakPolarHBondContact O-CB 3.38Å; W2268-L2272 PolarHBondContact O-N 3.12Å; L2269-L2272 WeakPolarHBondContact O-CB 3.39Å; L2269-L2272 PolarHBondContact O-N 3.22Å; R2270-L2272 VanDerWaalsContact C-N 3.29Å; R2270-L2272 PolarHBondContact O-N 3.49Å; L2272-A2274 VanDerWaalsContact C-N 3.31Å; L2272-A2274 PolarHBondContact O-N 3.31Å; L2272-S2275 WeakPolarHBondContact O-CB 3.23Å; L2272-S2275 PolarHBondContact O-N 3.12Å; L2272-N2276 WeakPolarHBondContact O-CB 3.37Å; L2272-N2276 PolarHBondContact O-N 2.91Å; L2272-N2276 PolarHBondContact O-ND2 2.91Å |
| 2273 | S | 84.8 | Confident | 78.7 | Confident | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.014 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 175.8 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | W2258 A2262 L2269 R2270 N2276 A2277 | W2258-S2273 VanDerWaalsContact CD1-O 3.3Å; W2258-S2273 PolarHBondContact NE1-O 3.38Å; W2258-S2273 WeakPolarHBondContact O-CB 3.46Å; A2262-S2273 VanDerWaalsContact CA-OG 3.23Å; A2262-S2273 WeakPolarHBondContact CA-OG 3.46Å; A2262-S2273 PolarHBondContact N-OG 2.66Å; L2269-S2273 WeakPolarHBondContact O-CB 3.39Å; L2269-S2273 PolarHBondContact O-N 3.32Å; L2269-S2273 PolarHBondContact O-OG 3.41Å; R2270-S2273 VanDerWaalsContact C-OG 3.25Å; R2270-S2273 VanDerWaalsContact CA-OG 3.23Å; R2270-S2273 WeakPolarHBondContact CA-OG 3.42Å; R2270-S2273 PolarHBondContact O-N 3.24Å; R2270-S2273 VanDerWaalsContact O-N 3.17Å; R2270-S2273 PolarHBondContact O-OG 3.1Å; S2273-N2276 WeakPolarHBondContact O-CB 3.4Å; S2273-N2276 PolarHBondContact O-N 3.05Å; S2273-A2277 WeakPolarHBondContact O-CB 3.34Å; S2273-A2277 PolarHBondContact O-N 3.35Å |
| 2274 | A | 85.7 | Confident | 78.1 | Confident | 1.5 Ų | 1.5 | 12 Ų | 12 | 1% | 0.012 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | Y2079 F2083 R2270 D2271 L2272 N2276 A2277 I2278 C2435 | Y2079-A2274 HydrophobicContact CD2-CB 3.68Å; Y2079-A2274 HydrophobicContact CG-CB 3.74Å; F2083-A2274 HydrophobicContact CB-CB 3.27Å; F2083-A2274 HydrophobicContact CD1-CB 4.22Å; F2083-A2274 HydrophobicContact CD2-CB 3.47Å; F2083-A2274 VanDerWaalsContact CD2-CB 3.47Å; F2083-A2274 HydrophobicContact CE2-CB 4.37Å; F2083-A2274 HydrophobicContact CG-CB 3.39Å; R2270-A2274 WeakPolarHBondContact O-CB 3.31Å; R2270-A2274 PolarHBondContact O-N 3.14Å; D2271-A2274 WeakPolarHBondContact O-CB 3.31Å; D2271-A2274 PolarHBondContact O-N 3.23Å; L2272-A2274 VanDerWaalsContact C-N 3.31Å; L2272-A2274 PolarHBondContact O-N 3.31Å; A2274-N2276 VanDerWaalsContact C-N 3.34Å; A2274-N2276 PolarHBondContact O-N 3.44Å; A2274-A2277 WeakPolarHBondContact O-CB 3.31Å; A2274-A2277 PolarHBondContact O-N 3.24Å; A2274-I2278 WeakPolarHBondContact O-CB 3.03Å; A2274-I2278 VanDerWaalsContact O-CG1 3.29Å; A2274-I2278 WeakPolarHBondContact O-CG1 3.33Å; A2274-I2278 PolarHBondContact O-N 3.03Å; A2274-I2278 VanDerWaalsContact O-N 3.07Å; A2274-C2435 WeakPolarHBondContact CA-SG 3.44Å; A2274-C2435 WeakPolarHBondContact CB-SG 3.46Å |
| 2275 | S | 84.6 | Confident | 77.6 | Confident | 23.5 Ų | 23.5 | 11 Ų | 11 | 16% | 0.164 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 176.3 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | Y2079 F2229 D2271 L2272 A2277 I2278 Y2279 | Y2079-S2275 WeakPolarHBondContact CE2-OG 3.43Å; F2229-S2275 WeakPolarHBondContact CZ-O 3.49Å; D2271-S2275 WeakPolarHBondContact O-CB 3.47Å; D2271-S2275 PolarHBondContact O-N 3.37Å; D2271-S2275 PolarHBondContact O-OG 3.12Å; L2272-S2275 WeakPolarHBondContact O-CB 3.23Å; L2272-S2275 PolarHBondContact O-N 3.12Å; S2275-A2277 PolarHBondContact O-N 3.4Å; S2275-I2278 PolarHBondContact O-N 3.15Å; S2275-Y2279 WeakPolarHBondContact O-CB 3.43Å; S2275-Y2279 PolarHBondContact O-N 3.13Å |
| 2276 | N | 83.7 | Confident | 77 | Confident | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.011 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 174.1 | -131.6 | -12.8 | 0 | 0 | 0 | 111.9 | Y2225 F2229 Y2239 W2258 L2272 S2273 A2274 I2278 Y2279 R2280 | Y2225-N2276 HydrophobicContact CE1-CB 4Å; Y2225-N2276 WeakPolarHBondContact CE1-OD1 2.99Å; Y2225-N2276 PolarHBondContact OH-ND2 3.3Å; Y2225-N2276 PolarHBondContact OH-OD1 3.48Å; F2229-N2276 WeakPolarHBondContact CZ-OD1 3.33Å; Y2239-N2276 WeakPolarHBondContact CE2-OD1 3.28Å; Y2239-N2276 PolarHBondContact OH-OD1 3.49Å; W2258-N2276 HydrophobicContact CB-CB 4.43Å; L2272-N2276 WeakPolarHBondContact O-CB 3.37Å; L2272-N2276 PolarHBondContact O-N 2.91Å; L2272-N2276 PolarHBondContact O-ND2 2.91Å; S2273-N2276 WeakPolarHBondContact O-CB 3.4Å; S2273-N2276 PolarHBondContact O-N 3.05Å; A2274-N2276 VanDerWaalsContact C-N 3.34Å; A2274-N2276 PolarHBondContact O-N 3.44Å; N2276-I2278 VanDerWaalsContact C-N 3.34Å; N2276-I2278 PolarHBondContact O-N 3.24Å; N2276-Y2279 PolarHBondContact O-N 3.48Å; N2276-R2280 VanDerWaalsContact O-CG 3.29Å; N2276-R2280 WeakPolarHBondContact O-CG 3.42Å; N2276-R2280 PolarHBondContact O-N 2.93Å; N2276-R2280 VanDerWaalsContact O-N 3.1Å |
| 2277 | A | 85.6 | Confident | 75.9 | Confident | 0.5 Ų | 0.5 | 11 Ų | 11 | 0% | 0.004 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | W2258 S2273 A2274 S2275 Y2279 R2280 F2344 F2349 M2439 | W2258-A2277 HydrophobicContact CE3-CB 3.96Å; W2258-A2277 HydrophobicContact CZ2-CB 4.48Å; W2258-A2277 HydrophobicContact CZ3-CB 4.25Å; S2273-A2277 WeakPolarHBondContact O-CB 3.34Å; S2273-A2277 PolarHBondContact O-N 3.35Å; A2274-A2277 WeakPolarHBondContact O-CB 3.31Å; A2274-A2277 PolarHBondContact O-N 3.24Å; S2275-A2277 PolarHBondContact O-N 3.4Å; A2277-Y2279 PolarHBondContact O-N 3.23Å; A2277-R2280 PolarHBondContact O-N 3.33Å; A2277-F2344 HydrophobicContact CB-CE1 3.94Å; A2277-F2344 HydrophobicContact CB-CZ 4.1Å; A2277-F2349 HydrophobicContact CB-CD2 4.18Å; A2277-F2349 HydrophobicContact CB-CE2 4.17Å; A2277-M2439 HydrophobicContact CB-CE 3.6Å; A2277-M2439 VanDerWaalsContact O-CE 3.26Å; A2277-M2439 WeakPolarHBondContact O-CE 3.46Å |
| 2278 | I | 84.2 | Confident | 74.8 | Confident | 11 Ų | 11 | 11.4 Ų | 11.4 | 6% | 0.056 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 178 | -71.6 | 164 | 0 | 0 | 0 | 111 | Y2079 F2083 A2274 S2275 N2276 R2280 V2281 L2282 C2435 V2438 M2439 | Y2079-I2278 HydrophobicContact CD1-CD1 4.17Å; Y2079-I2278 HydrophobicContact CE1-CD1 3.29Å; Y2079-I2278 HydrophobicContact CE2-CD1 3.99Å; Y2079-I2278 WeakPolarHBondContact OH-CD1 3.43Å; F2083-I2278 HydrophobicContact CD1-CD1 4.11Å; F2083-I2278 HydrophobicContact CE1-CD1 3.36Å; F2083-I2278 HydrophobicContact CE2-CD1 3.86Å; F2083-I2278 HydrophobicContact CZ-CD1 3.22Å; A2274-I2278 WeakPolarHBondContact O-CB 3.03Å; A2274-I2278 VanDerWaalsContact O-CG1 3.29Å; A2274-I2278 WeakPolarHBondContact O-CG1 3.33Å; A2274-I2278 PolarHBondContact O-N 3.03Å; A2274-I2278 VanDerWaalsContact O-N 3.07Å; S2275-I2278 PolarHBondContact O-N 3.15Å; N2276-I2278 VanDerWaalsContact C-N 3.34Å; N2276-I2278 PolarHBondContact O-N 3.24Å; I2278-R2280 VanDerWaalsContact C-N 3.33Å; I2278-R2280 PolarHBondContact O-N 3.21Å; I2278-V2281 PolarHBondContact O-N 3.34Å; I2278-V2281 VanDerWaalsContact O-N 3.12Å; I2278-L2282 HydrophobicContact CG2-CD1 3.3Å; I2278-L2282 HydrophobicContact CG2-CG 3.76Å; I2278-L2282 WeakPolarHBondContact O-CB 3.49Å; I2278-L2282 VanDerWaalsContact O-CG 3.3Å; I2278-L2282 WeakPolarHBondContact O-CG 3.26Å; I2278-L2282 PolarHBondContact O-N 3.23Å; I2278-C2435 HydrophobicContact CD1-CB 4.46Å; I2278-C2435 HydrophobicContact CG1-CB 4.31Å; I2278-V2438 HydrophobicContact CD1-CB 4.1Å; I2278-V2438 HydrophobicContact CD1-CG1 4.11Å; I2278-V2438 HydrophobicContact CD1-CG2 4.49Å; I2278-V2438 HydrophobicContact CG1-CG1 4.47Å; I2278-V2438 HydrophobicContact CG2-CG1 4.13Å; I2278-M2439 HydrophobicContact CG1-CE 4.17Å; I2278-M2439 HydrophobicContact CG1-CG 4.33Å |
| 2279 | Y | 80.9 | Confident | 73.4 | Confident | 12.5 Ų | 12.5 | 11.9 Ų | 11.9 | 5% | 0.049 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 179.7 | -161 | -99.9 | 0 | 0 | 0 | 113 | A2228 F2229 G2232 I2236 Y2239 S2275 N2276 A2277 V2281 L2282 T2283 F2331 | A2228-Y2279 PolarHBondContact O-OH 2.92Å; F2229-Y2279 HydrophobicContact CB-CD2 4.28Å; F2229-Y2279 HydrophobicContact CD1-CD1 4.05Å; F2229-Y2279 AromaticContact CD1-CD2 3.29Å; F2229-Y2279 HydrophobicContact CD1-CD2 3.29Å; F2229-Y2279 VanDerWaalsContact CD1-CD2 3.45Å; F2229-Y2279 AromaticContact CD1-CE2 3.82Å; F2229-Y2279 HydrophobicContact CD1-CE2 3.82Å; F2229-Y2279 AromaticContact CD1-CG 3.73Å; F2229-Y2279 HydrophobicContact CD1-CG 3.73Å; F2229-Y2279 VanDerWaalsContact CD1-CG 3.48Å; F2229-Y2279 HydrophobicContact CE1-CD1 4.02Å; F2229-Y2279 AromaticContact CE1-CD2 3.08Å; F2229-Y2279 HydrophobicContact CE1-CD2 3.62Å; F2229-Y2279 HydrophobicContact CE1-CE2 4.03Å; F2229-Y2279 AromaticContact CE1-CG 3.58Å; F2229-Y2279 HydrophobicContact CE1-CG 3.58Å; F2229-Y2279 VanDerWaalsContact CE1-CG 3.46Å; F2229-Y2279 HydrophobicContact CG-CD2 4.25Å; F2229-Y2279 HydrophobicContact CZ-CD2 4.12Å; F2229-Y2279 HydrophobicContact CZ-CG 4.15Å; G2232-Y2279 PolarHBondContact O-OH 3.02Å; I2236-Y2279 PolarHBondContact N-OH 3.44Å; Y2239-Y2279 AromaticContact CD1-CD1 3.99Å; Y2239-Y2279 HydrophobicContact CD1-CD1 4.12Å; Y2239-Y2279 AromaticContact CD1-CE1 3.77Å; Y2239-Y2279 HydrophobicContact CD1-CE1 3.92Å; Y2239-Y2279 AromaticContact CD2-CD1 3.43Å; Y2239-Y2279 HydrophobicContact CD2-CD1 3.43Å; Y2239-Y2279 AromaticContact CD2-CE1 3.42Å; Y2239-Y2279 HydrophobicContact CD2-CE1 3.42Å; Y2239-Y2279 HydrophobicContact CD2-CG 4.04Å; Y2239-Y2279 HydrophobicContact CE1-CD1 4.16Å; Y2239-Y2279 HydrophobicContact CE1-CE1 4.42Å; Y2239-Y2279 AromaticContact CE2-CD1 2.92Å; Y2239-Y2279 HydrophobicContact CE2-CD1 3.49Å; Y2239-Y2279 AromaticContact CE2-CE1 3.49Å; Y2239-Y2279 HydrophobicContact CE2-CE1 4Å; Y2239-Y2279 VanDerWaalsContact CE2-CE1 3.49Å; Y2239-Y2279 AromaticContact CE2-CG 3.78Å; Y2239-Y2279 HydrophobicContact CE2-CG 3.78Å; Y2239-Y2279 AromaticContact CG-CD1 3.75Å; Y2239-Y2279 HydrophobicContact CG-CD1 3.75Å; Y2239-Y2279 AromaticContact CG-CE1 3.37Å; Y2239-Y2279 HydrophobicContact CG-CE1 3.37Å; Y2239-Y2279 VanDerWaalsContact CG-CE1 3.45Å; Y2239-Y2279 AromaticContact CZ-CD1 3.53Å; S2275-Y2279 WeakPolarHBondContact O-CB 3.43Å; S2275-Y2279 PolarHBondContact O-N 3.13Å; N2276-Y2279 PolarHBondContact O-N 3.48Å; A2277-Y2279 PolarHBondContact O-N 3.23Å; Y2279-V2281 PolarHBondContact O-N 3.2Å; Y2279-L2282 PolarHBondContact O-N 3.21Å; Y2279-T2283 HydrophobicContact CD1-CG2 3.69Å; Y2279-T2283 HydrophobicContact CD2-CG2 4.03Å; Y2279-T2283 HydrophobicContact CE1-CG2 3.43Å; Y2279-T2283 HydrophobicContact CE2-CG2 3.78Å; Y2279-T2283 HydrophobicContact CG-CG2 4.06Å; Y2279-T2283 WeakPolarHBondContact O-CG2 3.37Å; Y2279-T2283 PolarHBondContact O-N 3.15Å; Y2279-T2283 PolarHBondContact O-OG1 3.33Å; Y2279-F2331 HydrophobicContact CE1-CE1 4.48Å; Y2279-F2331 HydrophobicContact CE1-CZ 4.11Å |
| 2280 | R | 80.3 | Confident | 71.9 | Confident | 10.5 Ų | 10.5 | 17.4 Ų | 17.4 | 4% | 0.04 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.7 | -28.3 | 175.7 | -76.2 | 171.7 | 175.4 | -104.8 | -6.8 | 112.6 | Y2239 N2276 A2277 I2278 E2338 L2340 G2341 F2344 | Y2239-R2280 WeakPolarHBondContact OH-CA 3.49Å; Y2239-R2280 WeakPolarHBondContact OH-CG 3.24Å; N2276-R2280 VanDerWaalsContact O-CG 3.29Å; N2276-R2280 WeakPolarHBondContact O-CG 3.42Å; N2276-R2280 PolarHBondContact O-N 2.93Å; N2276-R2280 VanDerWaalsContact O-N 3.1Å; A2277-R2280 PolarHBondContact O-N 3.33Å; I2278-R2280 VanDerWaalsContact C-N 3.33Å; I2278-R2280 PolarHBondContact O-N 3.21Å; R2280-E2338 IonicContact CZ-OE1 3.51Å; R2280-E2338 IonicContact NH1-OE1 3.4Å; R2280-E2338 PolarHBondContact NH1-OE1 3.26Å; R2280-E2338 IonicContact NH2-OE1 3.12Å; R2280-E2338 PolarHBondContact NH2-OE1 3.23Å; R2280-L2340 HydrophobicContact CB-CD2 4.14Å; R2280-L2340 HydrophobicContact CG-CD2 4.09Å; R2280-G2341 PolarHBondContact O-N 3.33Å; R2280-F2344 HydrophobicContact CB-CD1 4.04Å; R2280-F2344 HydrophobicContact CB-CE1 3.97Å; R2280-F2344 HydrophobicContact CB-CG 4.23Å; R2280-F2344 HydrophobicContact CB-CZ 4.5Å; R2280-F2344 VanDerWaalsContact CD-CE2 3.42Å |
| 2281 | V | 78.3 | Confident | 70.2 | Confident | 0.5 Ų | 0.5 | 19.1 Ų | 19.1 | 0% | 0.003 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -98.4 | -42.6 | -179.2 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | I2278 Y2279 T2283 V2284 N2285 G2341 F2344 L2345 M2439 S2443 | I2278-V2281 PolarHBondContact O-N 3.34Å; I2278-V2281 VanDerWaalsContact O-N 3.12Å; Y2279-V2281 PolarHBondContact O-N 3.2Å; V2281-T2283 PolarHBondContact O-N 3.2Å; V2281-V2284 PolarHBondContact O-N 3.06Å; V2281-N2285 PolarHBondContact O-N 2.89Å; V2281-G2341 WeakPolarHBondContact CG2-O 3.28Å; V2281-F2344 HydrophobicContact CG2-CD1 3.61Å; V2281-F2344 HydrophobicContact CG2-CE1 4.3Å; V2281-L2345 HydrophobicContact CG2-CB 4.43Å; V2281-M2439 HydrophobicContact CG2-CE 3.96Å; V2281-M2439 HydrophobicContact CG2-CG 4.41Å; V2281-M2439 HydrophobicContact CG2-SD 4.25Å; V2281-S2443 VanDerWaalsContact CG1-OG 3.23Å; V2281-S2443 WeakPolarHBondContact CG1-OG 3.42Å |
| 2282 | L | 74.7 | Confident | 68.5 | Low | 32.5 Ų | 32.5 | 20 Ų | 20 | 17% | 0.17 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66 | -41 | -174.8 | -72.4 | -177.8 | 0 | 0 | 0 | 114 | I2278 Y2279 V2284 N2285 N2286 Y2442 S2443 | I2278-L2282 HydrophobicContact CG2-CD1 3.3Å; I2278-L2282 HydrophobicContact CG2-CG 3.76Å; I2278-L2282 WeakPolarHBondContact O-CB 3.49Å; I2278-L2282 VanDerWaalsContact O-CG 3.3Å; I2278-L2282 WeakPolarHBondContact O-CG 3.26Å; I2278-L2282 PolarHBondContact O-N 3.23Å; Y2279-L2282 PolarHBondContact O-N 3.21Å; L2282-V2284 VanDerWaalsContact C-N 3.26Å; L2282-V2284 PolarHBondContact O-N 3.28Å; L2282-N2285 CarbonylContact O-C 3.39Å; L2282-N2285 PolarHBondContact O-N 3.31Å; L2282-N2286 VanDerWaalsContact O-CB 3.24Å; L2282-N2286 WeakPolarHBondContact O-CB 3.49Å; L2282-N2286 PolarHBondContact O-N 2.84Å; L2282-N2286 PolarHBondContact O-ND2 3.29Å; L2282-N2286 PolarHBondContact O-OD1 3.06Å; L2282-Y2442 HydrophobicContact CD2-CG 4.4Å; L2282-S2443 WeakPolarHBondContact CD2-OG 3.4Å |
| 2283 | T | 68.4 | Low | 66.6 | Low | 4.5 Ų | 4.5 | 26.2 Ų | 26.2 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.3 | -36.4 | -174.4 | 46.6 | 0 | 0 | 0 | 0 | 112.9 | Y2279 V2281 F2331 | Y2279-T2283 HydrophobicContact CD1-CG2 3.69Å; Y2279-T2283 HydrophobicContact CD2-CG2 4.03Å; Y2279-T2283 HydrophobicContact CE1-CG2 3.43Å; Y2279-T2283 HydrophobicContact CE2-CG2 3.78Å; Y2279-T2283 HydrophobicContact CG-CG2 4.06Å; Y2279-T2283 WeakPolarHBondContact O-CG2 3.37Å; Y2279-T2283 PolarHBondContact O-N 3.15Å; Y2279-T2283 PolarHBondContact O-OG1 3.33Å; V2281-T2283 PolarHBondContact O-N 3.2Å; T2283-F2331 HydrophobicContact CG2-CZ 4.16Å; T2283-F2331 WeakPolarHBondContact OG1-CE2 3.42Å; T2283-F2331 WeakPolarHBondContact OG1-CZ 3.34Å |
| 2284 | V | 64.9 | Low | 64.5 | Low | 8.5 Ų | 8.5 | 29.6 Ų | 29.6 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -78.9 | -34.8 | 178.6 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | V2281 L2282 Q2324 I2327 L2340 | V2281-V2284 PolarHBondContact O-N 3.06Å; L2282-V2284 VanDerWaalsContact C-N 3.26Å; L2282-V2284 PolarHBondContact O-N 3.28Å; V2284-Q2324 HydrophobicContact CG1-CB 4.39Å; V2284-Q2324 HydrophobicContact CG1-CG 4.19Å; V2284-I2327 HydrophobicContact CB-CG2 4.44Å; V2284-I2327 HydrophobicContact CG2-CG2 3.89Å; V2284-L2340 HydrophobicContact CG2-CB 4.04Å |
| 2285 | N | 61.9 | Low | 62.3 | Low | 11.5 Ų | 11.5 | 33.5 Ų | 33.5 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -104.8 | -0.8 | -169 | -71.3 | -1.3 | 0 | 0 | 0 | 114.9 | V2281 L2282 L2287 I2288 Q2324 S2443 | V2281-N2285 PolarHBondContact O-N 2.89Å; L2282-N2285 CarbonylContact O-C 3.39Å; L2282-N2285 PolarHBondContact O-N 3.31Å; N2285-L2287 PolarHBondContact O-N 3.14Å; N2285-L2287 VanDerWaalsContact O-N 3.07Å; N2285-I2288 HydrophobicContact CB-CD1 4.05Å; N2285-I2288 HydrophobicContact CB-CG1 4.46Å; N2285-I2288 VanDerWaalsContact O-CB 3.25Å; N2285-I2288 WeakPolarHBondContact O-CB 3.37Å; N2285-I2288 PolarHBondContact O-N 3.13Å; N2285-Q2324 PolarHBondContact OD1-NE2 3.45Å; N2285-S2443 WeakPolarHBondContact CB-O 3.37Å; N2285-S2443 PolarHBondContact ND2-O 2.81Å |
| 2286 | N | 56.7 | Low | 60.1 | Low | 47.5 Ų | 47.5 | 37.2 Ų | 37.2 | 25% | 0.254 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -51.1 | -34.3 | -177.7 | -96.5 | -21.6 | 0 | 0 | 0 | 113.6 | L2282 I2288 C2289 Y2290 | L2282-N2286 VanDerWaalsContact O-CB 3.24Å; L2282-N2286 WeakPolarHBondContact O-CB 3.49Å; L2282-N2286 PolarHBondContact O-N 2.84Å; L2282-N2286 PolarHBondContact O-ND2 3.29Å; L2282-N2286 PolarHBondContact O-OD1 3.06Å; N2286-I2288 VanDerWaalsContact C-N 3.27Å; N2286-I2288 PolarHBondContact O-N 3.11Å; N2286-C2289 WeakPolarHBondContact O-CB 3.37Å; N2286-C2289 PolarHBondContact O-N 3.04Å; N2286-Y2290 VanDerWaalsContact O-CD2 3.31Å; N2286-Y2290 WeakPolarHBondContact O-CD2 3.23Å; N2286-Y2290 PolarHBondContact O-N 3.35Å |
| 2287 | L | 50.4 | Low | 57.9 | Low | 19.5 Ų | 19.5 | 40.8 Ų | 40.8 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.6 | -35.6 | 179.2 | -156.3 | 80 | 0 | 0 | 0 | 112.8 | F1837 N2285 C2289 Y2290 N2291 L2315 Y2323 | F1837-L2287 HydrophobicContact CE1-CD1 3.64Å; F1837-L2287 HydrophobicContact CZ-CD1 3.79Å; N2285-L2287 PolarHBondContact O-N 3.14Å; N2285-L2287 VanDerWaalsContact O-N 3.07Å; L2287-C2289 VanDerWaalsContact C-N 3.27Å; L2287-C2289 PolarHBondContact O-N 3.3Å; L2287-Y2290 PolarHBondContact O-N 3.34Å; L2287-Y2290 VanDerWaalsContact O-N 3.14Å; L2287-N2291 WeakPolarHBondContact O-CB 3.49Å; L2287-N2291 VanDerWaalsContact O-CG 3.25Å; L2287-N2291 PolarHBondContact O-N 3.01Å; L2287-N2291 PolarHBondContact O-ND2 3.36Å; L2287-L2315 HydrophobicContact CD1-CD1 4.43Å; L2287-L2315 HydrophobicContact CD2-CD1 3.79Å; L2287-L2315 HydrophobicContact CG-CD1 4.07Å; L2287-Y2323 HydrophobicContact CB-CD1 3.6Å; L2287-Y2323 HydrophobicContact CB-CE1 3.58Å; L2287-Y2323 HydrophobicContact CB-CG 4.18Å; L2287-Y2323 HydrophobicContact CD1-CD1 4.01Å; L2287-Y2323 HydrophobicContact CD1-CD2 3.64Å; L2287-Y2323 HydrophobicContact CD1-CE1 4.11Å; L2287-Y2323 HydrophobicContact CD1-CE2 3.73Å; L2287-Y2323 HydrophobicContact CD1-CG 3.75Å; L2287-Y2323 HydrophobicContact CD2-CD1 4.02Å; L2287-Y2323 HydrophobicContact CD2-CD2 3.29Å; L2287-Y2323 HydrophobicContact CD2-CE1 4.23Å; L2287-Y2323 HydrophobicContact CD2-CE2 3.84Å; L2287-Y2323 HydrophobicContact CD2-CG 3.73Å; L2287-Y2323 HydrophobicContact CG-CD1 4.16Å; L2287-Y2323 HydrophobicContact CG-CE1 4.4Å; L2287-Y2323 HydrophobicContact CG-CG 4.23Å |
| 2288 | I | 49.2 | Very low | 55.7 | Low | 15.5 Ų | 15.5 | 43.8 Ų | 43.8 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 179 | -56.3 | 173.4 | 0 | 0 | 0 | 109.5 | N2285 N2286 Y2290 N2291 N2292 T2320 P2445 F2470 | N2285-I2288 HydrophobicContact CB-CD1 4.05Å; N2285-I2288 HydrophobicContact CB-CG1 4.46Å; N2285-I2288 VanDerWaalsContact O-CB 3.25Å; N2285-I2288 WeakPolarHBondContact O-CB 3.37Å; N2285-I2288 PolarHBondContact O-N 3.13Å; N2286-I2288 VanDerWaalsContact C-N 3.27Å; N2286-I2288 PolarHBondContact O-N 3.11Å; I2288-Y2290 PolarHBondContact O-N 3.31Å; I2288-N2291 PolarHBondContact O-N 2.91Å; I2288-N2292 WeakPolarHBondContact CG2-ND2 3.49Å; I2288-N2292 WeakPolarHBondContact O-CB 3.48Å; I2288-N2292 PolarHBondContact O-N 3Å; I2288-N2292 VanDerWaalsContact O-N 3.08Å; I2288-N2292 PolarHBondContact O-ND2 3.46Å; I2288-N2292 VanDerWaalsContact O-ND2 3.12Å; I2288-N2292 PolarHBondContact O-OD1 2.88Å; I2288-T2320 HydrophobicContact CG1-CG2 4.29Å; I2288-P2445 HydrophobicContact CG2-CB 4.25Å; I2288-P2445 HydrophobicContact CG2-CG 4.32Å; I2288-F2470 HydrophobicContact CD1-CD1 4.06Å; I2288-F2470 HydrophobicContact CD1-CE1 3.66Å; I2288-F2470 HydrophobicContact CG1-CE1 4.39Å |
| 2289 | C | 46.5 | Very low | 53.6 | Low | 18.5 Ų | 18.5 | 46.6 Ų | 46.6 | 13% | 0.125 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 176.5 | -126.7 | 0 | 0 | 0 | 0 | 112.9 | N2286 L2287 K2293 Y2442 | N2286-C2289 WeakPolarHBondContact O-CB 3.37Å; N2286-C2289 PolarHBondContact O-N 3.04Å; L2287-C2289 VanDerWaalsContact C-N 3.27Å; L2287-C2289 PolarHBondContact O-N 3.3Å; C2289-K2293 WeakPolarHBondContact O-CB 3.34Å; C2289-K2293 WeakPolarHBondContact O-CG 3.32Å; C2289-K2293 PolarHBondContact O-N 3.28Å; C2289-K2293 VanDerWaalsContact O-N 3.08Å; C2289-Y2442 VanDerWaalsContact SG-C 3.53Å; C2289-Y2442 PolarHBondContact SG-O 2.95Å |
| 2290 | Y | 47 | Very low | 51.6 | Low | 129 Ų | 129 | 48.6 Ų | 48.6 | 51% | 0.506 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71 | -39.3 | 178 | -81.4 | -75.4 | 0 | 0 | 0 | 112 | F1837 N2286 L2287 I2288 N2292 K2293 N2294 | F1837-Y2290 HydrophobicContact CD2-CD2 4.1Å; F1837-Y2290 HydrophobicContact CD2-CE2 4.11Å; F1837-Y2290 HydrophobicContact CD2-CG 4.46Å; F1837-Y2290 AromaticContact CE2-CD2 3.91Å; F1837-Y2290 HydrophobicContact CE2-CD2 3.91Å; F1837-Y2290 HydrophobicContact CE2-CE2 4.03Å; N2286-Y2290 VanDerWaalsContact O-CD2 3.31Å; N2286-Y2290 WeakPolarHBondContact O-CD2 3.23Å; N2286-Y2290 PolarHBondContact O-N 3.35Å; L2287-Y2290 PolarHBondContact O-N 3.34Å; L2287-Y2290 VanDerWaalsContact O-N 3.14Å; I2288-Y2290 PolarHBondContact O-N 3.31Å; Y2290-N2292 VanDerWaalsContact C-N 3.32Å; Y2290-N2292 PolarHBondContact O-N 3.37Å; Y2290-K2293 PolarHBondContact O-N 3.08Å; Y2290-N2294 WeakPolarHBondContact O-CB 3.46Å; Y2290-N2294 PolarHBondContact O-N 3.37Å; Y2290-N2294 PolarHBondContact O-ND2 2.89Å |
| 2291 | N | 44.5 | Very low | 49.4 | Very low | 37.5 Ų | 37.5 | 54.4 Ų | 54.4 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 172.9 | -72.9 | -20.5 | 0 | 0 | 0 | 112.3 | L2287 I2288 K2293 N2294 N2295 L2315 T2320 | L2287-N2291 WeakPolarHBondContact O-CB 3.49Å; L2287-N2291 VanDerWaalsContact O-CG 3.25Å; L2287-N2291 PolarHBondContact O-N 3.01Å; L2287-N2291 PolarHBondContact O-ND2 3.36Å; I2288-N2291 PolarHBondContact O-N 2.91Å; N2291-K2293 VanDerWaalsContact C-N 3.31Å; N2291-K2293 PolarHBondContact O-N 3.25Å; N2291-N2294 PolarHBondContact O-N 2.88Å; N2291-N2295 PolarHBondContact O-N 2.8Å; N2291-L2315 WeakPolarHBondContact ND2-CB 3.31Å; N2291-L2315 VanDerWaalsContact ND2-CD1 3.32Å; N2291-L2315 WeakPolarHBondContact ND2-CD1 3.36Å; N2291-L2315 VanDerWaalsContact OD1-CD1 3.25Å; N2291-L2315 WeakPolarHBondContact OD1-CD1 3.4Å; N2291-T2320 PolarHBondContact ND2-OG1 3.19Å |
| 2292 | N | 43.7 | Very low | 47.6 | Very low | 25 Ų | 25 | 59.4 Ų | 59.4 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.8 | -27.3 | -178.3 | -73.7 | -6.2 | 0 | 0 | 0 | 113.4 | I2288 Y2290 N2295 P2445 Q2548 | I2288-N2292 WeakPolarHBondContact CG2-ND2 3.49Å; I2288-N2292 WeakPolarHBondContact O-CB 3.48Å; I2288-N2292 PolarHBondContact O-N 3Å; I2288-N2292 VanDerWaalsContact O-N 3.08Å; I2288-N2292 PolarHBondContact O-ND2 3.46Å; I2288-N2292 VanDerWaalsContact O-ND2 3.12Å; I2288-N2292 PolarHBondContact O-OD1 2.88Å; Y2290-N2292 VanDerWaalsContact C-N 3.32Å; Y2290-N2292 PolarHBondContact O-N 3.37Å; N2292-N2295 WeakPolarHBondContact O-CB 3.27Å; N2292-N2295 PolarHBondContact O-N 2.84Å; N2292-P2445 WeakPolarHBondContact ND2-CB 3.39Å; N2292-Q2548 PolarHBondContact ND2-OE1 3.05Å |
| 2293 | K | 42.3 | Very low | 46.1 | Very low | 137.5 Ų | 137.5 | 65.4 Ų | 65.4 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -84.1 | -36.3 | 178.2 | -77.5 | -177 | 178.6 | 178.5 | 0 | 112.9 | C2289 Y2290 N2291 N2295 L2296 | C2289-K2293 WeakPolarHBondContact O-CB 3.34Å; C2289-K2293 WeakPolarHBondContact O-CG 3.32Å; C2289-K2293 PolarHBondContact O-N 3.28Å; C2289-K2293 VanDerWaalsContact O-N 3.08Å; Y2290-K2293 PolarHBondContact O-N 3.08Å; N2291-K2293 VanDerWaalsContact C-N 3.31Å; N2291-K2293 PolarHBondContact O-N 3.25Å; K2293-N2295 PolarHBondContact O-N 2.92Å; K2293-L2296 WeakPolarHBondContact O-CG 3.44Å; K2293-L2296 PolarHBondContact O-N 2.79Å |
| 2294 | N | 40.3 | Very low | 45 | Very low | 72.5 Ų | 72.5 | 74.2 Ų | 74.2 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 62.2 | -179.3 | -67.5 | -22.2 | 0 | 0 | 0 | 110.2 | I1838 Y2290 N2291 L2296 | I1838-N2294 WeakPolarHBondContact CD1-ND2 3.47Å; Y2290-N2294 WeakPolarHBondContact O-CB 3.46Å; Y2290-N2294 PolarHBondContact O-N 3.37Å; Y2290-N2294 PolarHBondContact O-ND2 2.89Å; N2291-N2294 PolarHBondContact O-N 2.88Å; N2294-L2296 HydrophobicContact CB-CD2 4.28Å; N2294-L2296 HydrophobicContact CB-CG 3.94Å; N2294-L2296 CarbonylContact O-C 3.58Å; N2294-L2296 PolarHBondContact O-N 3.38Å; N2294-L2296 VanDerWaalsContact O-O 3.14Å |
| 2295 | N | 40.3 | Very low | 43.7 | Very low | 84 Ų | 84 | 78.6 Ų | 78.6 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 37.5 | 156.2 | -76.2 | -15.6 | 0 | 0 | 0 | 109.4 | N2291 N2292 K2293 N2297 Q2314 | N2291-N2295 PolarHBondContact O-N 2.8Å; N2292-N2295 WeakPolarHBondContact O-CB 3.27Å; N2292-N2295 PolarHBondContact O-N 2.84Å; K2293-N2295 PolarHBondContact O-N 2.92Å; N2295-N2297 VanDerWaalsContact C-N 3.27Å; N2295-N2297 PolarHBondContact O-N 3.22Å; N2295-Q2314 PolarHBondContact ND2-NE2 3.11Å; N2295-Q2314 WeakPolarHBondContact OD1-CG 3.46Å; N2295-Q2314 PolarHBondContact OD1-NE2 3.13Å |
| 2296 | L | 37.6 | Very low | 42.5 | Very low | 100.5 Ų | 100.5 | 84.9 Ų | 84.9 | 53% | 0.526 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -60.8 | 100.8 | 162.8 | -76.2 | 166.8 | 0 | 0 | 0 | 105.4 | K2293 N2294 I2298 | K2293-L2296 WeakPolarHBondContact O-CG 3.44Å; K2293-L2296 PolarHBondContact O-N 2.79Å; N2294-L2296 HydrophobicContact CB-CD2 4.28Å; N2294-L2296 HydrophobicContact CB-CG 3.94Å; N2294-L2296 CarbonylContact O-C 3.58Å; N2294-L2296 PolarHBondContact O-N 3.38Å; N2294-L2296 VanDerWaalsContact O-O 3.14Å; L2296-I2298 VanDerWaalsContact C-N 3.31Å; L2296-I2298 PolarHBondContact O-N 3.39Å |
| 2297 | N | 39.1 | Very low | 41.4 | Very low | 78 Ų | 78 | 88.6 Ų | 88.6 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | trans | -49.2 | 102.9 | 166.6 | -73.6 | -19.5 | 0 | 0 | 0 | 106.9 | N2295 I2299 C2310 | N2295-N2297 VanDerWaalsContact C-N 3.27Å; N2295-N2297 PolarHBondContact O-N 3.22Å; N2297-I2299 VanDerWaalsContact C-N 3.26Å; N2297-I2299 PolarHBondContact O-N 2.93Å; N2297-I2299 VanDerWaalsContact O-N 3.16Å; N2297-C2310 VanDerWaalsContact CB-SG 3.52Å; N2297-C2310 WeakPolarHBondContact CB-SG 3.4Å; N2297-C2310 PolarHBondContact OD1-SG 2.98Å | ||
| 2298 | I | 39.3 | Very low | 40.6 | Very low | 63 Ų | 63 | 93 Ų | 93 | 32% | 0.323 | 46% | 0.455 | S | S | . | . | trans | -71.1 | 107.4 | 176.4 | -67.5 | 168.9 | 0 | 0 | 0 | 104.9 | A1800 L2296 I2300 L2311 L2315 | A1800-I2298 HydrophobicContact CB-CB 4.42Å; A1800-I2298 HydrophobicContact CB-CD1 3.59Å; A1800-I2298 HydrophobicContact CB-CG1 3.77Å; A1800-I2298 HydrophobicContact CB-CG2 3.76Å; L2296-I2298 VanDerWaalsContact C-N 3.31Å; L2296-I2298 PolarHBondContact O-N 3.39Å; I2298-I2300 VanDerWaalsContact C-N 3.33Å; I2298-I2300 HydrophobicContact CG2-CG1 3.85Å; I2298-I2300 PolarHBondContact O-N 2.88Å; I2298-L2311 PolarHBondContact N-O 3.08Å; I2298-L2311 PolarHBondContact O-N 3.39Å; I2298-L2315 HydrophobicContact CD1-CB 4.46Å; I2298-L2315 HydrophobicContact CD1-CD1 4.02Å; I2298-L2315 HydrophobicContact CD1-CD2 3.2Å; I2298-L2315 HydrophobicContact CD1-CG 3.26Å | ||
| 2299 | I | 39.7 | Very low | 39.9 | Very low | 70.5 Ų | 70.5 | 98.8 Ų | 98.8 | 36% | 0.362 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 105.2 | 173.5 | -63.5 | 178.2 | 0 | 0 | 0 | 107.1 | Y1839 N2297 Y2301 L2308 K2309 | Y1839-I2299 HydrophobicContact CE1-CD1 3.66Å; Y1839-I2299 HydrophobicContact CE1-CG1 4.25Å; Y1839-I2299 WeakPolarHBondContact OH-CD1 3.3Å; Y1839-I2299 WeakPolarHBondContact OH-CG1 3.42Å; N2297-I2299 VanDerWaalsContact C-N 3.26Å; N2297-I2299 PolarHBondContact O-N 2.93Å; N2297-I2299 VanDerWaalsContact O-N 3.16Å; I2299-Y2301 HydrophobicContact CG2-CD2 3.97Å; I2299-Y2301 HydrophobicContact CG2-CE2 3.81Å; I2299-Y2301 PolarHBondContact O-N 3.14Å; I2299-L2308 HydrophobicContact CB-CD2 4.43Å; I2299-L2308 HydrophobicContact CD1-CB 4.3Å; I2299-L2308 HydrophobicContact CD1-CD2 4.46Å; I2299-L2308 HydrophobicContact CG2-CB 3.62Å; I2299-L2308 HydrophobicContact CG2-CD2 3.34Å; I2299-L2308 HydrophobicContact CG2-CG 4.06Å; I2299-K2309 WeakPolarHBondContact CA-O 3.25Å |
| 2300 | I | 37.8 | Very low | 39.3 | Very low | 54 Ų | 54 | 101.1 Ų | 101.1 | 28% | 0.277 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 117.1 | 170.2 | -62.6 | 175.3 | 0 | 0 | 0 | 107.5 | P1797 I2298 K2302 K2309 L2311 | P1797-I2300 HydrophobicContact CB-CB 4.13Å; P1797-I2300 HydrophobicContact CB-CD1 3.5Å; P1797-I2300 HydrophobicContact CB-CG1 3.66Å; P1797-I2300 HydrophobicContact CB-CG2 3.34Å; P1797-I2300 HydrophobicContact CG-CD1 4.22Å; I2298-I2300 VanDerWaalsContact C-N 3.33Å; I2298-I2300 HydrophobicContact CG2-CG1 3.85Å; I2298-I2300 PolarHBondContact O-N 2.88Å; I2300-K2302 PolarHBondContact O-N 3.35Å; I2300-K2302 VanDerWaalsContact O-N 3.12Å; I2300-K2309 PolarHBondContact N-O 2.91Å; I2300-L2311 HydrophobicContact CD1-CB 4.27Å; I2300-L2311 HydrophobicContact CD1-CD1 3.58Å; I2300-L2311 HydrophobicContact CD1-CG 3.83Å; I2300-L2311 HydrophobicContact CG1-CD1 3.96Å; I2300-L2311 HydrophobicContact CG1-CG 4.42Å |
| 2301 | Y | 34.4 | Very low | 38.8 | Very low | 133 Ų | 133 | 99.2 Ų | 99.2 | 52% | 0.522 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 111.6 | 168.3 | -116.9 | -90.7 | 0 | 0 | 0 | 109.4 | I2299 L2303 L2308 | I2299-Y2301 HydrophobicContact CG2-CD2 3.97Å; I2299-Y2301 HydrophobicContact CG2-CE2 3.81Å; I2299-Y2301 PolarHBondContact O-N 3.14Å; Y2301-L2303 PolarHBondContact O-N 3.45Å; Y2301-L2308 HydrophobicContact CD2-CD2 4.11Å; Y2301-L2308 HydrophobicContact CE2-CD2 4.22Å |
| 2302 | K | 40.7 | Very low | 38.6 | Very low | 104 Ų | 104 | 99.4 Ų | 99.4 | 45% | 0.452 | 50% | 0.497 | S | S | . | . | trans | -83.3 | 111 | 162.1 | -81.8 | -172.8 | 177 | -177.3 | 0 | 108.3 | I2300 K2304 Q2305 | I2300-K2302 PolarHBondContact O-N 3.35Å; I2300-K2302 VanDerWaalsContact O-N 3.12Å; K2302-K2304 PolarHBondContact O-N 3.47Å; K2302-Q2305 HydrophobicContact CB-CB 4.3Å; K2302-Q2305 VanDerWaalsContact CD-OE1 3.29Å; K2302-Q2305 PolarHBondContact O-N 3.3Å; K2302-Q2305 VanDerWaalsContact O-N 3.1Å; K2302-Q2305 VanDerWaalsContact O-O 3.09Å | ||
| 2303 | L | 42.5 | Very low | 38.5 | Very low | 159 Ų | 159 | 103.8 Ų | 103.8 | 83% | 0.832 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -21.7 | -179.1 | -104.6 | 132.2 | 0 | 0 | 0 | 115.3 | I1798 Y2301 | I1798-L2303 HydrophobicContact CD1-CD1 3.78Å; I1798-L2303 HydrophobicContact CD1-CG 3.97Å; Y2301-L2303 PolarHBondContact O-N 3.45Å |
| 2304 | K | 45.9 | Very low | 38.6 | Very low | 189.5 Ų | 189.5 | 102.7 Ų | 102.7 | 82% | 0.824 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -9.5 | -177.6 | -72.2 | -171.3 | 175 | -175.3 | 0 | 115.5 | K2302 | K2302-K2304 PolarHBondContact O-N 3.47Š|
| 2305 | Q | 38.5 | Very low | 39 | Very low | 100.5 Ų | 100.5 | 100.5 Ų | 100.5 | 47% | 0.47 | 51% | 0.506 | S | S | . | . | trans | -126.8 | 120.2 | -178.8 | -74.8 | 175.8 | -29.8 | 0 | 0 | 107.6 | K2302 E2307 | K2302-Q2305 HydrophobicContact CB-CB 4.3Å; K2302-Q2305 VanDerWaalsContact CD-OE1 3.29Å; K2302-Q2305 PolarHBondContact O-N 3.3Å; K2302-Q2305 VanDerWaalsContact O-N 3.1Å; K2302-Q2305 VanDerWaalsContact O-O 3.09Å; Q2305-E2307 HydrophobicContact CB-CB 4.39Å; Q2305-E2307 PolarHBondContact O-N 3.29Å | ||
| 2306 | T | 36.7 | Very low | 39.5 | Very low | 144 Ų | 144 | 99 Ų | 99 | 88% | 0.883 | 50% | 0.502 | S | S | * | . | trans | -65.6 | 13.5 | 173.8 | 46.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2307 | E | 33.7 | Very low | 40.3 | Very low | 125.5 Ų | 125.5 | 96.5 Ų | 96.5 | 59% | 0.586 | 49% | 0.488 | S | S | * | . | trans | -91 | 113.1 | 176.1 | -71.8 | -174.3 | 170 | 0 | 0 | 110.6 | Q2305 K2309 | Q2305-E2307 HydrophobicContact CB-CB 4.39Å; Q2305-E2307 PolarHBondContact O-N 3.29Å; E2307-K2309 PolarHBondContact O-N 3.03Å | ||
| 2308 | L | 31.8 | Very low | 41 | Very low | 113 Ų | 113 | 99.8 Ų | 99.8 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 101.5 | 168.6 | -76.4 | 159.2 | 0 | 0 | 0 | 109 | I2299 Y2301 | I2299-L2308 HydrophobicContact CB-CD2 4.43Å; I2299-L2308 HydrophobicContact CD1-CB 4.3Å; I2299-L2308 HydrophobicContact CD1-CD2 4.46Å; I2299-L2308 HydrophobicContact CG2-CB 3.62Å; I2299-L2308 HydrophobicContact CG2-CD2 3.34Å; I2299-L2308 HydrophobicContact CG2-CG 4.06Å; Y2301-L2308 HydrophobicContact CD2-CD2 4.11Å; Y2301-L2308 HydrophobicContact CE2-CD2 4.22Å |
| 2309 | K | 34.5 | Very low | 41.7 | Very low | 136.5 Ų | 136.5 | 99 Ų | 99 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 108.4 | 166.6 | -87.2 | -171.5 | 177.2 | -176.9 | 0 | 109.7 | I2299 I2300 E2307 L2311 | I2299-K2309 WeakPolarHBondContact CA-O 3.25Å; I2300-K2309 PolarHBondContact N-O 2.91Å; E2307-K2309 PolarHBondContact O-N 3.03Å; K2309-L2311 PolarHBondContact O-N 3.03Å |
| 2310 | C | 34.9 | Very low | 42.6 | Very low | 67.5 Ų | 67.5 | 96.6 Ų | 96.6 | 46% | 0.456 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 110.8 | 165.8 | -143.2 | 0 | 0 | 0 | 0 | 108.6 | N2297 S2312 | N2297-C2310 VanDerWaalsContact CB-SG 3.52Å; N2297-C2310 WeakPolarHBondContact CB-SG 3.4Å; N2297-C2310 PolarHBondContact OD1-SG 2.98Å; C2310-S2312 PolarHBondContact SG-OG 3.08Å |
| 2311 | L | 37 | Very low | 43.5 | Very low | 88 Ų | 88 | 95.2 Ų | 95.2 | 46% | 0.461 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 84 | 167 | -75.1 | 173.8 | 0 | 0 | 0 | 108.6 | I2298 I2300 K2309 N2313 | I2298-L2311 PolarHBondContact N-O 3.08Å; I2298-L2311 PolarHBondContact O-N 3.39Å; I2300-L2311 HydrophobicContact CD1-CB 4.27Å; I2300-L2311 HydrophobicContact CD1-CD1 3.58Å; I2300-L2311 HydrophobicContact CD1-CG 3.83Å; I2300-L2311 HydrophobicContact CG1-CD1 3.96Å; I2300-L2311 HydrophobicContact CG1-CG 4.42Å; K2309-L2311 PolarHBondContact O-N 3.03Å; L2311-N2313 PolarHBondContact O-N 3.45Å |
| 2312 | S | 39.6 | Very low | 44.7 | Very low | 41 Ų | 41 | 90.8 Ų | 90.8 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | trans | -88.6 | 39.6 | 166.9 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | C2310 Q2314 | C2310-S2312 PolarHBondContact SG-OG 3.08Å; S2312-Q2314 VanDerWaalsContact C-N 3.31Å; S2312-Q2314 PolarHBondContact O-N 3.42Å | ||
| 2313 | N | 41.9 | Very low | 45.7 | Very low | 118.5 Ų | 118.5 | 86.5 Ų | 86.5 | 63% | 0.634 | 44% | 0.444 | S | S | * | . | trans | -73.4 | 118.9 | 170.1 | -72.5 | -1.8 | 0 | 0 | 0 | 107.9 | L2311 L2315 | L2311-N2313 PolarHBondContact O-N 3.45Å; N2313-L2315 PolarHBondContact O-N 3.33Å | ||
| 2314 | Q | 44.1 | Very low | 46.6 | Very low | 113.5 Ų | 113.5 | 79.6 Ų | 79.6 | 53% | 0.53 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -47.4 | 139.7 | 165.6 | -74.5 | 177.9 | -19.4 | 0 | 0 | 108.8 | N2295 S2312 S2316 | N2295-Q2314 PolarHBondContact ND2-NE2 3.11Å; N2295-Q2314 WeakPolarHBondContact OD1-CG 3.46Å; N2295-Q2314 PolarHBondContact OD1-NE2 3.13Å; S2312-Q2314 VanDerWaalsContact C-N 3.31Å; S2312-Q2314 PolarHBondContact O-N 3.42Å; Q2314-S2316 PolarHBondContact O-N 2.82Å |
| 2315 | L | 48.8 | Very low | 47.5 | Very low | 28 Ų | 28 | 73.1 Ų | 73.1 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -49.5 | 130.1 | 168.6 | -84.7 | 169.3 | 0 | 0 | 0 | 108.8 | V1799 A1800 L2287 N2291 I2298 N2313 D2319 Y2323 | V1799-L2315 HydrophobicContact CG1-CD2 3.7Å; A1800-L2315 HydrophobicContact CB-CD2 3.6Å; L2287-L2315 HydrophobicContact CD1-CD1 4.43Å; L2287-L2315 HydrophobicContact CD2-CD1 3.79Å; L2287-L2315 HydrophobicContact CG-CD1 4.07Å; N2291-L2315 WeakPolarHBondContact ND2-CB 3.31Å; N2291-L2315 VanDerWaalsContact ND2-CD1 3.32Å; N2291-L2315 WeakPolarHBondContact ND2-CD1 3.36Å; N2291-L2315 VanDerWaalsContact OD1-CD1 3.25Å; N2291-L2315 WeakPolarHBondContact OD1-CD1 3.4Å; I2298-L2315 HydrophobicContact CD1-CB 4.46Å; I2298-L2315 HydrophobicContact CD1-CD1 4.02Å; I2298-L2315 HydrophobicContact CD1-CD2 3.2Å; I2298-L2315 HydrophobicContact CD1-CG 3.26Å; N2313-L2315 PolarHBondContact O-N 3.33Å; L2315-D2319 HydrophobicContact CB-CB 4.44Å; L2315-D2319 HydrophobicContact CD2-CB 3.58Å; L2315-D2319 VanDerWaalsContact CD2-CB 3.42Å; L2315-Y2323 HydrophobicContact CD1-CD2 4.17Å; L2315-Y2323 HydrophobicContact CD1-CE2 3.67Å; L2315-Y2323 HydrophobicContact CD2-CE2 3.93Å; L2315-Y2323 HydrophobicContact CG-CE2 4.49Å |
| 2316 | S | 51.7 | Low | 48.8 | Very low | 52 Ų | 52 | 69 Ų | 69 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 153.9 | 172 | 73.6 | 0 | 0 | 0 | 0 | 109 | Q2314 K2318 D2319 T2320 | Q2314-S2316 PolarHBondContact O-N 2.82Å; S2316-K2318 PolarHBondContact O-N 3.38Å; S2316-K2318 VanDerWaalsContact O-N 3.15Å; S2316-D2319 WeakPolarHBondContact CB-OD2 3.33Å; S2316-D2319 PolarHBondContact N-OD2 3.16Å; S2316-D2319 VanDerWaalsContact N-OD2 3.12Å; S2316-D2319 WeakPolarHBondContact O-CB 3.39Å; S2316-D2319 PolarHBondContact O-N 3.16Å; S2316-D2319 VanDerWaalsContact O-N 3.08Å; S2316-D2319 PolarHBondContact OG-N 2.82Å; S2316-D2319 VanDerWaalsContact OG-N 3.11Å; S2316-D2319 PolarHBondContact OG-OD2 3.4Å; S2316-T2320 PolarHBondContact O-N 3.09Å; S2316-T2320 PolarHBondContact O-OG1 3.44Å |
| 2317 | I | 52.6 | Low | 50.2 | Low | 47 Ų | 47 | 62.3 Ų | 62.3 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -54.5 | -36.9 | 173.9 | -66 | 139.2 | 0 | 0 | 0 | 110.4 | D2319 T2320 L2321 S2451 I2455 | I2317-D2319 VanDerWaalsContact C-N 3.32Å; I2317-D2319 PolarHBondContact O-N 2.88Å; I2317-T2320 PolarHBondContact O-N 2.83Å; I2317-L2321 HydrophobicContact CG2-CD1 3.86Å; I2317-L2321 HydrophobicContact CG2-CG 4.33Å; I2317-L2321 WeakPolarHBondContact O-CB 3.04Å; I2317-L2321 WeakPolarHBondContact O-CG 3.28Å; I2317-L2321 PolarHBondContact O-N 3.29Å; I2317-S2451 WeakPolarHBondContact CD1-O 3.48Å; I2317-I2455 HydrophobicContact CD1-CD1 4.26Å; I2317-I2455 HydrophobicContact CD1-CG1 4.31Å; I2317-I2455 HydrophobicContact CG2-CD1 3.92Å |
| 2318 | K | 53.9 | Low | 51.7 | Low | 147.5 Ų | 147.5 | 59.8 Ų | 59.8 | 64% | 0.641 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.9 | -41.8 | 176.1 | -121.1 | 179.3 | -179.8 | 177 | 0 | 112.2 | S2316 L2321 N2322 | S2316-K2318 PolarHBondContact O-N 3.38Å; S2316-K2318 VanDerWaalsContact O-N 3.15Å; K2318-L2321 WeakPolarHBondContact O-CB 3.36Å; K2318-L2321 PolarHBondContact O-N 2.66Å; K2318-N2322 VanDerWaalsContact O-CB 3.31Å; K2318-N2322 WeakPolarHBondContact O-CB 3.19Å; K2318-N2322 VanDerWaalsContact O-CG 3.27Å; K2318-N2322 PolarHBondContact O-N 3.15Å; K2318-N2322 PolarHBondContact O-ND2 2.89Å; K2318-N2322 VanDerWaalsContact O-ND2 3.16Å |
| 2319 | D | 55.8 | Low | 53.4 | Low | 47.5 Ų | 47.5 | 57.1 Ų | 57.1 | 25% | 0.254 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 177.6 | -59 | -44.9 | 0 | 0 | 0 | 110.9 | V1799 L2315 S2316 I2317 L2321 N2322 Y2323 | V1799-D2319 HydrophobicContact CG1-CB 3.98Å; L2315-D2319 HydrophobicContact CB-CB 4.44Å; L2315-D2319 HydrophobicContact CD2-CB 3.58Å; L2315-D2319 VanDerWaalsContact CD2-CB 3.42Å; S2316-D2319 WeakPolarHBondContact CB-OD2 3.33Å; S2316-D2319 PolarHBondContact N-OD2 3.16Å; S2316-D2319 VanDerWaalsContact N-OD2 3.12Å; S2316-D2319 WeakPolarHBondContact O-CB 3.39Å; S2316-D2319 PolarHBondContact O-N 3.16Å; S2316-D2319 VanDerWaalsContact O-N 3.08Å; S2316-D2319 PolarHBondContact OG-N 2.82Å; S2316-D2319 VanDerWaalsContact OG-N 3.11Å; S2316-D2319 PolarHBondContact OG-OD2 3.4Å; I2317-D2319 VanDerWaalsContact C-N 3.32Å; I2317-D2319 PolarHBondContact O-N 2.88Å; D2319-L2321 PolarHBondContact O-N 2.9Å; D2319-N2322 WeakPolarHBondContact O-CB 3.26Å; D2319-N2322 PolarHBondContact O-N 3.16Å; D2319-Y2323 VanDerWaalsContact C-CD2 3.41Å; D2319-Y2323 HydrophobicContact CB-CD2 4.31Å; D2319-Y2323 HydrophobicContact CB-CE2 3.93Å; D2319-Y2323 WeakPolarHBondContact O-CD2 3.23Å; D2319-Y2323 PolarHBondContact O-N 3.41Å |
| 2320 | T | 57.2 | Low | 54.9 | Low | 18.5 Ų | 18.5 | 51.9 Ų | 51.9 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 178.2 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | I2288 N2291 S2316 I2317 Y2323 Q2324 | I2288-T2320 HydrophobicContact CG1-CG2 4.29Å; N2291-T2320 PolarHBondContact ND2-OG1 3.19Å; S2316-T2320 PolarHBondContact O-N 3.09Å; S2316-T2320 PolarHBondContact O-OG1 3.44Å; I2317-T2320 PolarHBondContact O-N 2.83Å; T2320-Y2323 PolarHBondContact O-N 3.13Å; T2320-Q2324 PolarHBondContact O-N 3.32Å; T2320-Q2324 VanDerWaalsContact O-N 3.16Å |
| 2321 | L | 58.3 | Low | 56.3 | Low | 24.5 Ų | 24.5 | 48.8 Ų | 48.8 | 13% | 0.128 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.7 | -47.7 | 174.8 | -118.2 | 120.2 | 0 | 0 | 0 | 112.1 | I2317 K2318 D2319 Y2323 Q2324 L2325 M2463 Y2468 | I2317-L2321 HydrophobicContact CG2-CD1 3.86Å; I2317-L2321 HydrophobicContact CG2-CG 4.33Å; I2317-L2321 WeakPolarHBondContact O-CB 3.04Å; I2317-L2321 WeakPolarHBondContact O-CG 3.28Å; I2317-L2321 PolarHBondContact O-N 3.29Å; K2318-L2321 WeakPolarHBondContact O-CB 3.36Å; K2318-L2321 PolarHBondContact O-N 2.66Å; D2319-L2321 PolarHBondContact O-N 2.9Å; L2321-Y2323 VanDerWaalsContact C-N 3.26Å; L2321-Y2323 PolarHBondContact O-N 3.12Å; L2321-Q2324 PolarHBondContact O-N 3.24Å; L2321-Q2324 VanDerWaalsContact O-N 3.13Å; L2321-L2325 WeakPolarHBondContact O-CB 3.43Å; L2321-L2325 VanDerWaalsContact O-CG 3.3Å; L2321-L2325 WeakPolarHBondContact O-CG 3.35Å; L2321-L2325 PolarHBondContact O-N 2.73Å; L2321-M2463 HydrophobicContact CD1-SD 3.8Å; L2321-M2463 HydrophobicContact CD2-SD 4.14Å; L2321-Y2468 HydrophobicContact CD1-CD1 3.85Å; L2321-Y2468 HydrophobicContact CD1-CD2 3.22Å; L2321-Y2468 HydrophobicContact CD1-CE1 3.82Å; L2321-Y2468 HydrophobicContact CD1-CE2 3.17Å; L2321-Y2468 HydrophobicContact CD1-CG 3.55Å; L2321-Y2468 VanDerWaalsContact CD1-CZ 3.49Å; L2321-Y2468 HydrophobicContact CD2-CE2 4.13Å; L2321-Y2468 HydrophobicContact CG-CD2 4.32Å; L2321-Y2468 HydrophobicContact CG-CE2 3.82Å |
| 2322 | N | 58.9 | Low | 57.4 | Low | 42 Ų | 42 | 48.9 Ų | 48.9 | 23% | 0.225 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -37.8 | 178 | -73.4 | -23.2 | 0 | 0 | 0 | 111.7 | V1799 K2318 D2319 L2325 F2326 | V1799-N2322 HydrophobicContact CG1-CB 4.25Å; K2318-N2322 VanDerWaalsContact O-CB 3.31Å; K2318-N2322 WeakPolarHBondContact O-CB 3.19Å; K2318-N2322 VanDerWaalsContact O-CG 3.27Å; K2318-N2322 PolarHBondContact O-N 3.15Å; K2318-N2322 PolarHBondContact O-ND2 2.89Å; K2318-N2322 VanDerWaalsContact O-ND2 3.16Å; D2319-N2322 WeakPolarHBondContact O-CB 3.26Å; D2319-N2322 PolarHBondContact O-N 3.16Å; N2322-L2325 PolarHBondContact O-N 3.15Å; N2322-F2326 VanDerWaalsContact O-CB 3.29Å; N2322-F2326 WeakPolarHBondContact O-CB 3.32Å; N2322-F2326 PolarHBondContact O-N 3.13Å |
| 2323 | Y | 61.6 | Low | 58 | Low | 13.5 Ų | 13.5 | 48.9 Ų | 48.9 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -45.9 | 173.8 | -128 | -85.9 | 0 | 0 | 0 | 112.4 | V1799 P1802 R1803 F1837 L2287 L2315 D2319 T2320 L2321 L2325 F2326 I2327 | V1799-Y2323 PolarHBondContact O-OH 2.82Å; P1802-Y2323 VanDerWaalsContact CD-CE2 3.46Å; P1802-Y2323 HydrophobicContact CG-CD1 4.05Å; P1802-Y2323 HydrophobicContact CG-CE2 4.29Å; P1802-Y2323 WeakPolarHBondContact O-CD1 3.49Å; R1803-Y2323 HydrophobicContact CG-CD1 3.98Å; R1803-Y2323 HydrophobicContact CG-CE1 3.21Å; F1837-Y2323 HydrophobicContact CZ-CE2 4.2Å; L2287-Y2323 HydrophobicContact CB-CD1 3.6Å; L2287-Y2323 HydrophobicContact CB-CE1 3.58Å; L2287-Y2323 HydrophobicContact CB-CG 4.18Å; L2287-Y2323 HydrophobicContact CD1-CD1 4.01Å; L2287-Y2323 HydrophobicContact CD1-CD2 3.64Å; L2287-Y2323 HydrophobicContact CD1-CE1 4.11Å; L2287-Y2323 HydrophobicContact CD1-CE2 3.73Å; L2287-Y2323 HydrophobicContact CD1-CG 3.75Å; L2287-Y2323 HydrophobicContact CD2-CD1 4.02Å; L2287-Y2323 HydrophobicContact CD2-CD2 3.29Å; L2287-Y2323 HydrophobicContact CD2-CE1 4.23Å; L2287-Y2323 HydrophobicContact CD2-CE2 3.84Å; L2287-Y2323 HydrophobicContact CD2-CG 3.73Å; L2287-Y2323 HydrophobicContact CG-CD1 4.16Å; L2287-Y2323 HydrophobicContact CG-CE1 4.4Å; L2287-Y2323 HydrophobicContact CG-CG 4.23Å; L2315-Y2323 HydrophobicContact CD1-CD2 4.17Å; L2315-Y2323 HydrophobicContact CD1-CE2 3.67Å; L2315-Y2323 HydrophobicContact CD2-CE2 3.93Å; L2315-Y2323 HydrophobicContact CG-CE2 4.49Å; D2319-Y2323 VanDerWaalsContact C-CD2 3.41Å; D2319-Y2323 HydrophobicContact CB-CD2 4.31Å; D2319-Y2323 HydrophobicContact CB-CE2 3.93Å; D2319-Y2323 WeakPolarHBondContact O-CD2 3.23Å; D2319-Y2323 PolarHBondContact O-N 3.41Å; T2320-Y2323 PolarHBondContact O-N 3.13Å; L2321-Y2323 VanDerWaalsContact C-N 3.26Å; L2321-Y2323 PolarHBondContact O-N 3.12Å; Y2323-L2325 VanDerWaalsContact C-N 3.3Å; Y2323-L2325 PolarHBondContact O-N 3.07Å; Y2323-F2326 WeakPolarHBondContact O-CB 3.37Å; Y2323-F2326 PolarHBondContact O-N 3.11Å; Y2323-I2327 HydrophobicContact CD1-CG1 4.08Å; Y2323-I2327 HydrophobicContact CD2-CG1 4.44Å; Y2323-I2327 HydrophobicContact CE1-CD1 4.28Å; Y2323-I2327 HydrophobicContact CE1-CG1 3.59Å; Y2323-I2327 HydrophobicContact CE2-CD1 4.08Å; Y2323-I2327 HydrophobicContact CE2-CG1 4Å; Y2323-I2327 WeakPolarHBondContact O-CG1 3.47Å; Y2323-I2327 PolarHBondContact O-N 3.22Å |
| 2324 | Q | 62 | Low | 58.2 | Low | 13 Ų | 13 | 50.5 Ų | 50.5 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 177.1 | -75 | -178.8 | -24.2 | 0 | 0 | 111.7 | V2284 N2285 T2320 L2321 I2327 R2328 Y2468 | V2284-Q2324 HydrophobicContact CG1-CB 4.39Å; V2284-Q2324 HydrophobicContact CG1-CG 4.19Å; N2285-Q2324 PolarHBondContact OD1-NE2 3.45Å; T2320-Q2324 PolarHBondContact O-N 3.32Å; T2320-Q2324 VanDerWaalsContact O-N 3.16Å; L2321-Q2324 PolarHBondContact O-N 3.24Å; L2321-Q2324 VanDerWaalsContact O-N 3.13Å; Q2324-I2327 PolarHBondContact O-N 3.39Å; Q2324-R2328 WeakPolarHBondContact O-CB 2.96Å; Q2324-R2328 WeakPolarHBondContact O-CG 3.35Å; Q2324-R2328 PolarHBondContact O-N 3.37Å; Q2324-Y2468 HydrophobicContact CB-CE1 4.3Å |
| 2325 | L | 63.7 | Low | 58.7 | Low | 54.5 Ų | 54.5 | 47.4 Ų | 47.4 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61 | -45.8 | 173.3 | -76.3 | 170.6 | 0 | 0 | 0 | 111.4 | L2321 N2322 Y2323 I2327 R2328 N2329 Y2468 | L2321-L2325 WeakPolarHBondContact O-CB 3.43Å; L2321-L2325 VanDerWaalsContact O-CG 3.3Å; L2321-L2325 WeakPolarHBondContact O-CG 3.35Å; L2321-L2325 PolarHBondContact O-N 2.73Å; N2322-L2325 PolarHBondContact O-N 3.15Å; Y2323-L2325 VanDerWaalsContact C-N 3.3Å; Y2323-L2325 PolarHBondContact O-N 3.07Å; L2325-I2327 PolarHBondContact O-N 2.95Å; L2325-R2328 PolarHBondContact O-N 3.08Å; L2325-N2329 VanDerWaalsContact O-CB 3.28Å; L2325-N2329 WeakPolarHBondContact O-CB 3.3Å; L2325-N2329 PolarHBondContact O-N 3.31Å; L2325-N2329 PolarHBondContact O-OD1 3.16Å; L2325-Y2468 WeakPolarHBondContact CD2-OH 3.37Å; L2325-Y2468 WeakPolarHBondContact CG-OH 3.26Å |
| 2326 | F | 65.5 | Low | 58.8 | Low | 13.5 Ų | 13.5 | 51.4 Ų | 51.4 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 175.9 | 171.2 | -97.2 | 0 | 0 | 0 | 111.8 | I1785 P1787 P1802 R1803 P1804 L1807 N2322 Y2323 R2328 N2329 V2330 | I1785-F2326 HydrophobicContact CG2-CD2 4.39Å; P1787-F2326 HydrophobicContact CG-CB 4.22Å; P1802-F2326 HydrophobicContact CB-CD1 4.12Å; P1802-F2326 HydrophobicContact CB-CE1 4.08Å; P1802-F2326 HydrophobicContact CG-CD1 4.4Å; P1802-F2326 HydrophobicContact CG-CE1 3.71Å; P1802-F2326 HydrophobicContact CG-CZ 4.33Å; P1802-F2326 WeakPolarHBondContact O-CD1 3.35Å; P1802-F2326 WeakPolarHBondContact O-CE1 3.43Å; R1803-F2326 VanDerWaalsContact C-CE2 3.41Å; R1803-F2326 WeakPolarHBondContact O-CE2 3.38Å; R1803-F2326 WeakPolarHBondContact O-CZ 3.45Å; P1804-F2326 VanDerWaalsContact CA-CE2 3.43Å; P1804-F2326 HydrophobicContact CB-CD2 4.33Å; P1804-F2326 HydrophobicContact CB-CE2 4.37Å; P1804-F2326 HydrophobicContact CG-CD2 3.87Å; P1804-F2326 HydrophobicContact CG-CE2 4.37Å; L1807-F2326 HydrophobicContact CD1-CE2 4.22Å; L1807-F2326 HydrophobicContact CD1-CZ 4.46Å; L1807-F2326 HydrophobicContact CD2-CE2 3.67Å; L1807-F2326 HydrophobicContact CD2-CZ 3.58Å; L1807-F2326 HydrophobicContact CG-CE2 3.89Å; L1807-F2326 HydrophobicContact CG-CZ 3.92Å; N2322-F2326 VanDerWaalsContact O-CB 3.29Å; N2322-F2326 WeakPolarHBondContact O-CB 3.32Å; N2322-F2326 PolarHBondContact O-N 3.13Å; Y2323-F2326 WeakPolarHBondContact O-CB 3.37Å; Y2323-F2326 PolarHBondContact O-N 3.11Å; F2326-R2328 VanDerWaalsContact C-N 3.3Å; F2326-R2328 PolarHBondContact O-N 3.19Å; F2326-N2329 CarbonylContact O-C 3.55Å; F2326-N2329 WeakPolarHBondContact O-CB 3.37Å; F2326-N2329 PolarHBondContact O-N 3.25Å; F2326-N2329 VanDerWaalsContact O-N 3.09Å; F2326-V2330 HydrophobicContact CD1-CG2 4.21Å; F2326-V2330 HydrophobicContact CD2-CG2 4.28Å; F2326-V2330 HydrophobicContact CE1-CG2 3.75Å; F2326-V2330 HydrophobicContact CE2-CG2 3.82Å; F2326-V2330 HydrophobicContact CG-CG2 4.48Å; F2326-V2330 HydrophobicContact CZ-CG2 3.54Å; F2326-V2330 VanDerWaalsContact O-CG2 3.29Å; F2326-V2330 WeakPolarHBondContact O-CG2 3.47Å; F2326-V2330 PolarHBondContact O-N 3.06Å |
| 2327 | I | 65.8 | Low | 59 | Low | 2.5 Ų | 2.5 | 56.8 Ų | 56.8 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -45 | 178.3 | -69.2 | -66.9 | 0 | 0 | 0 | 110.9 | P1802 W2233 I2236 V2284 Y2323 Q2324 L2325 N2329 V2330 F2331 | P1802-I2327 HydrophobicContact CB-CD1 3.32Å; P1802-I2327 HydrophobicContact CB-CG1 3.83Å; P1802-I2327 HydrophobicContact CG-CD1 3.94Å; P1802-I2327 HydrophobicContact CG-CG1 4Å; W2233-I2327 HydrophobicContact CB-CD1 3.95Å; I2236-I2327 HydrophobicContact CD1-CD1 3.93Å; I2236-I2327 HydrophobicContact CD1-CG2 4.25Å; V2284-I2327 HydrophobicContact CB-CG2 4.44Å; V2284-I2327 HydrophobicContact CG2-CG2 3.89Å; Y2323-I2327 HydrophobicContact CD1-CG1 4.08Å; Y2323-I2327 HydrophobicContact CD2-CG1 4.44Å; Y2323-I2327 HydrophobicContact CE1-CD1 4.28Å; Y2323-I2327 HydrophobicContact CE1-CG1 3.59Å; Y2323-I2327 HydrophobicContact CE2-CD1 4.08Å; Y2323-I2327 HydrophobicContact CE2-CG1 4Å; Y2323-I2327 WeakPolarHBondContact O-CG1 3.47Å; Y2323-I2327 PolarHBondContact O-N 3.22Å; Q2324-I2327 PolarHBondContact O-N 3.39Å; L2325-I2327 PolarHBondContact O-N 2.95Å; I2327-N2329 VanDerWaalsContact C-N 3.3Å; I2327-N2329 PolarHBondContact O-N 3.36Å; I2327-V2330 PolarHBondContact O-N 3.03Å; I2327-V2330 VanDerWaalsContact O-N 3.14Å; I2327-F2331 HydrophobicContact CG2-CD2 3.75Å; I2327-F2331 HydrophobicContact CG2-CE2 3.67Å; I2327-F2331 VanDerWaalsContact CG2-CE2 3.42Å; I2327-F2331 WeakPolarHBondContact O-CD2 3.3Å; I2327-F2331 PolarHBondContact O-N 3.29Å |
| 2328 | R | 66.4 | Low | 59.6 | Low | 73.5 Ų | 73.5 | 55.8 Ų | 55.8 | 28% | 0.277 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 174.7 | -78.7 | -174.7 | 175 | -154.3 | 3.9 | 111.8 | Q2324 L2325 F2326 V2330 F2331 K2332 E2343 | Q2324-R2328 WeakPolarHBondContact O-CB 2.96Å; Q2324-R2328 WeakPolarHBondContact O-CG 3.35Å; Q2324-R2328 PolarHBondContact O-N 3.37Å; L2325-R2328 PolarHBondContact O-N 3.08Å; F2326-R2328 VanDerWaalsContact C-N 3.3Å; F2326-R2328 PolarHBondContact O-N 3.19Å; R2328-V2330 VanDerWaalsContact C-N 3.28Å; R2328-V2330 PolarHBondContact O-N 3.29Å; R2328-F2331 WeakPolarHBondContact O-CB 3.36Å; R2328-F2331 PolarHBondContact O-N 3.04Å; R2328-K2332 PolarHBondContact O-N 3.03Å; R2328-K2332 VanDerWaalsContact O-N 3.14Å; R2328-E2343 IonicContact CZ-OE1 3.71Å; R2328-E2343 IonicContact CZ-OE2 3.68Å; R2328-E2343 VanDerWaalsContact NH1-CD 3.33Å; R2328-E2343 IonicContact NH1-OE1 3.43Å; R2328-E2343 PolarHBondContact NH1-OE1 3.09Å; R2328-E2343 IonicContact NH1-OE2 2.6Å; R2328-E2343 PolarHBondContact NH1-OE2 3.46Å; R2328-E2343 IonicContact NH2-OE1 3.17Å; R2328-E2343 PolarHBondContact NH2-OE1 3.29Å; R2328-E2343 IonicContact NH2-OE2 3.02Å; R2328-E2343 PolarHBondContact NH2-OE2 3.48Å |
| 2329 | N | 66.5 | Low | 60.5 | Low | 56.5 Ų | 56.5 | 50.6 Ų | 50.6 | 30% | 0.302 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.3 | -34 | 177.1 | -69.5 | -9.7 | 0 | 0 | 0 | 112.3 | I1785 L2325 F2326 I2327 F2331 K2332 | I1785-N2329 HydrophobicContact CG2-CB 3.92Å; I1785-N2329 PolarHBondContact O-ND2 3Å; L2325-N2329 VanDerWaalsContact O-CB 3.28Å; L2325-N2329 WeakPolarHBondContact O-CB 3.3Å; L2325-N2329 PolarHBondContact O-N 3.31Å; L2325-N2329 PolarHBondContact O-OD1 3.16Å; F2326-N2329 CarbonylContact O-C 3.55Å; F2326-N2329 WeakPolarHBondContact O-CB 3.37Å; F2326-N2329 PolarHBondContact O-N 3.25Å; F2326-N2329 VanDerWaalsContact O-N 3.09Å; I2327-N2329 VanDerWaalsContact C-N 3.3Å; I2327-N2329 PolarHBondContact O-N 3.36Å; N2329-F2331 VanDerWaalsContact C-N 3.3Å; N2329-F2331 PolarHBondContact O-N 2.85Å; N2329-K2332 WeakPolarHBondContact O-CB 3.44Å; N2329-K2332 WeakPolarHBondContact O-CD 3.47Å; N2329-K2332 WeakPolarHBondContact O-CG 3.33Å; N2329-K2332 PolarHBondContact O-N 3.04Å |
| 2330 | V | 66.2 | Low | 61.4 | Low | 26.5 Ų | 26.5 | 48.9 Ų | 48.9 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -37.5 | 173.3 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I1785 L1807 L1810 I2236 F2326 I2327 R2328 K2332 | I1785-V2330 HydrophobicContact CG2-CG2 4.29Å; L1807-V2330 HydrophobicContact CD2-CG2 3.92Å; L1810-V2330 HydrophobicContact CD1-CG1 3.82Å; L1810-V2330 HydrophobicContact CD1-CG2 4.24Å; L1810-V2330 HydrophobicContact CD2-CG1 4.25Å; I2236-V2330 HydrophobicContact CB-CG1 4.12Å; I2236-V2330 HydrophobicContact CD1-CG1 4.21Å; I2236-V2330 HydrophobicContact CG2-CG1 3.82Å; F2326-V2330 HydrophobicContact CD1-CG2 4.21Å; F2326-V2330 HydrophobicContact CD2-CG2 4.28Å; F2326-V2330 HydrophobicContact CE1-CG2 3.75Å; F2326-V2330 HydrophobicContact CE2-CG2 3.82Å; F2326-V2330 HydrophobicContact CG-CG2 4.48Å; F2326-V2330 HydrophobicContact CZ-CG2 3.54Å; F2326-V2330 VanDerWaalsContact O-CG2 3.29Å; F2326-V2330 WeakPolarHBondContact O-CG2 3.47Å; F2326-V2330 PolarHBondContact O-N 3.06Å; I2327-V2330 PolarHBondContact O-N 3.03Å; I2327-V2330 VanDerWaalsContact O-N 3.14Å; R2328-V2330 VanDerWaalsContact C-N 3.28Å; R2328-V2330 PolarHBondContact O-N 3.29Å; V2330-K2332 VanDerWaalsContact C-N 3.28Å; V2330-K2332 PolarHBondContact O-N 3.28Å |
| 2331 | F | 65.7 | Low | 62.3 | Low | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -31.6 | 173 | -86.7 | -75.2 | 0 | 0 | 0 | 112 | I2236 Y2239 K2240 Y2279 T2283 I2327 R2328 N2329 I2333 L2340 | I2236-F2331 HydrophobicContact CD1-CD2 3.96Å; I2236-F2331 HydrophobicContact CD1-CE2 3.56Å; I2236-F2331 HydrophobicContact CD1-CZ 4.23Å; I2236-F2331 HydrophobicContact CG1-CD2 4.33Å; I2236-F2331 HydrophobicContact CG1-CE2 3.73Å; I2236-F2331 HydrophobicContact CG1-CZ 4.18Å; I2236-F2331 HydrophobicContact CG2-CD1 4.03Å; I2236-F2331 HydrophobicContact CG2-CD2 4.19Å; I2236-F2331 HydrophobicContact CG2-CE1 3.86Å; I2236-F2331 HydrophobicContact CG2-CE2 4.05Å; I2236-F2331 HydrophobicContact CG2-CG 3.83Å; I2236-F2331 HydrophobicContact CG2-CZ 3.87Å; Y2239-F2331 HydrophobicContact CD1-CD1 4.21Å; Y2239-F2331 AromaticContact CD1-CE1 3.62Å; Y2239-F2331 HydrophobicContact CD1-CE1 3.62Å; Y2239-F2331 VanDerWaalsContact CD1-CE1 3.42Å; Y2239-F2331 HydrophobicContact CD1-CZ 4.04Å; Y2239-F2331 HydrophobicContact CE1-CE1 4.2Å; Y2239-F2331 HydrophobicContact CG-CE1 4.18Å; K2240-F2331 WeakPolarHBondContact CD-O 3.22Å; Y2279-F2331 HydrophobicContact CE1-CE1 4.48Å; Y2279-F2331 HydrophobicContact CE1-CZ 4.11Å; T2283-F2331 HydrophobicContact CG2-CZ 4.16Å; T2283-F2331 WeakPolarHBondContact OG1-CE2 3.42Å; T2283-F2331 WeakPolarHBondContact OG1-CZ 3.34Å; I2327-F2331 HydrophobicContact CG2-CD2 3.75Å; I2327-F2331 HydrophobicContact CG2-CE2 3.67Å; I2327-F2331 VanDerWaalsContact CG2-CE2 3.42Å; I2327-F2331 WeakPolarHBondContact O-CD2 3.3Å; I2327-F2331 PolarHBondContact O-N 3.29Å; R2328-F2331 WeakPolarHBondContact O-CB 3.36Å; R2328-F2331 PolarHBondContact O-N 3.04Å; N2329-F2331 VanDerWaalsContact C-N 3.3Å; N2329-F2331 PolarHBondContact O-N 2.85Å; F2331-I2333 HydrophobicContact CB-CD1 3.61Å; F2331-I2333 HydrophobicContact CB-CG1 4.12Å; F2331-I2333 HydrophobicContact CD1-CD1 4.08Å; F2331-I2333 HydrophobicContact CG-CD1 4.13Å; F2331-I2333 WeakPolarHBondContact O-CG1 3.22Å; F2331-I2333 PolarHBondContact O-N 3.11Å; F2331-I2333 VanDerWaalsContact O-N 3.11Å; F2331-L2340 HydrophobicContact CB-CD1 3.65Å; F2331-L2340 HydrophobicContact CD1-CD1 3.98Å; F2331-L2340 HydrophobicContact CD1-CD2 4.38Å; F2331-L2340 HydrophobicContact CD2-CD1 4.1Å; F2331-L2340 HydrophobicContact CE1-CD2 4.31Å; F2331-L2340 HydrophobicContact CE2-CD1 4.36Å; F2331-L2340 HydrophobicContact CG-CD1 3.51Å |
| 2332 | K | 59.5 | Low | 63 | Low | 90 Ų | 90 | 47.6 Ų | 47.6 | 39% | 0.391 | 24% | 0.244 | S | C | . | . | trans | 30 | 55.3 | -178.5 | -90.4 | -171 | -176.3 | -173.8 | 0 | 110.8 | S1784 K2240 R2328 N2329 V2330 D2334 | S1784-K2332 PolarHBondContact OG-NZ 3.41Å; K2240-K2332 PolarHBondContact NZ-O 2.99Å; R2328-K2332 PolarHBondContact O-N 3.03Å; R2328-K2332 VanDerWaalsContact O-N 3.14Å; N2329-K2332 WeakPolarHBondContact O-CB 3.44Å; N2329-K2332 WeakPolarHBondContact O-CD 3.47Å; N2329-K2332 WeakPolarHBondContact O-CG 3.33Å; N2329-K2332 PolarHBondContact O-N 3.04Å; V2330-K2332 VanDerWaalsContact C-N 3.28Å; V2330-K2332 PolarHBondContact O-N 3.28Å; K2332-D2334 VanDerWaalsContact C-N 3.33Å; K2332-D2334 PolarHBondContact O-N 3.25Å; K2332-D2334 VanDerWaalsContact O-N 3.1Å | ||
| 2333 | I | 51.4 | Low | 63.8 | Low | 42 Ų | 42 | 47.2 Ų | 47.2 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | trans | -79.6 | 105.8 | 175.7 | -60.5 | 165.4 | 0 | 0 | 0 | 104.2 | F2243 F2331 N2335 E2338 L2340 | F2243-I2333 HydrophobicContact CE1-CG2 4.45Å; F2331-I2333 HydrophobicContact CB-CD1 3.61Å; F2331-I2333 HydrophobicContact CB-CG1 4.12Å; F2331-I2333 HydrophobicContact CD1-CD1 4.08Å; F2331-I2333 HydrophobicContact CG-CD1 4.13Å; F2331-I2333 WeakPolarHBondContact O-CG1 3.22Å; F2331-I2333 PolarHBondContact O-N 3.11Å; F2331-I2333 VanDerWaalsContact O-N 3.11Å; I2333-N2335 HydrophobicContact CG2-CB 4.01Å; I2333-N2335 VanDerWaalsContact CG2-O 3.27Å; I2333-N2335 WeakPolarHBondContact CG2-O 3.3Å; I2333-N2335 CarbonylContact O-C 3.47Å; I2333-N2335 PolarHBondContact O-N 3.17Å; I2333-E2338 HydrophobicContact CD1-CB 4.45Å; I2333-E2338 HydrophobicContact CD1-CG 4Å; I2333-E2338 WeakPolarHBondContact CD1-OE1 3.49Å; I2333-E2338 WeakPolarHBondContact CD1-OE2 3.47Å; I2333-E2338 HydrophobicContact CG2-CB 4.05Å; I2333-E2338 WeakPolarHBondContact CG2-OE2 3.31Å; I2333-L2340 HydrophobicContact CD1-CD1 3.19Å; I2333-L2340 HydrophobicContact CD1-CG 4.13Å | ||
| 2334 | D | 47.6 | Very low | 64.8 | Low | 151.5 Ų | 151.5 | 46.6 Ų | 46.6 | 81% | 0.81 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -68.5 | 0.9 | 174.2 | -63.5 | -46.4 | 0 | 0 | 0 | 111.8 | K2332 P2336 | K2332-D2334 VanDerWaalsContact C-N 3.33Å; K2332-D2334 PolarHBondContact O-N 3.25Å; K2332-D2334 VanDerWaalsContact O-N 3.1Å; D2334-P2336 VanDerWaalsContact O-CD 3.26Å; D2334-P2336 WeakPolarHBondContact O-CD 3.36Å |
| 2335 | N | 53.3 | Low | 65.9 | Low | 48 Ų | 48 | 46.1 Ų | 46.1 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | trans | -92.1 | 102.3 | 175.9 | -154.9 | -14 | 0 | 0 | 0 | 111.3 | E2247 I2333 F2337 E2338 | E2247-N2335 VanDerWaalsContact CD-ND2 3.35Å; E2247-N2335 PolarHBondContact OE1-ND2 3.37Å; E2247-N2335 PolarHBondContact OE2-ND2 3.5Å; E2247-N2335 VanDerWaalsContact OE2-ND2 3.1Å; I2333-N2335 HydrophobicContact CG2-CB 4.01Å; I2333-N2335 VanDerWaalsContact CG2-O 3.27Å; I2333-N2335 WeakPolarHBondContact CG2-O 3.3Å; I2333-N2335 CarbonylContact O-C 3.47Å; I2333-N2335 PolarHBondContact O-N 3.17Å; N2335-F2337 PolarHBondContact O-N 3.31Å; N2335-F2337 PolarHBondContact OD1-N 3.36Å; N2335-E2338 PolarHBondContact O-N 3.15Å; N2335-E2338 VanDerWaalsContact O-N 3.11Å | ||
| 2336 | P | 51.9 | Low | 66.7 | Low | 113 Ų | 113 | 45.5 Ų | 45.5 | 73% | 0.734 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.8 | -179.7 | 26.7 | -35.5 | 0 | 0 | 0 | 113.9 | D2334 | D2334-P2336 VanDerWaalsContact O-CD 3.26Å; D2334-P2336 WeakPolarHBondContact O-CD 3.36Å |
| 2337 | F | 55 | Low | 67.5 | Low | 164.5 Ų | 164.5 | 49.8 Ų | 49.8 | 72% | 0.721 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -7.1 | 179.8 | -62.1 | -73.8 | 0 | 0 | 0 | 113.8 | N2335 L2339 | N2335-F2337 PolarHBondContact O-N 3.31Å; N2335-F2337 PolarHBondContact OD1-N 3.36Å; F2337-L2339 PolarHBondContact O-N 3.05Å |
| 2338 | E | 64.6 | Low | 68.3 | Low | 25.5 Ų | 25.5 | 50.8 Ų | 50.8 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | trans | -86.9 | 102.3 | -175.7 | -163.2 | 170.6 | 175 | 0 | 0 | 112.1 | F2243 R2280 I2333 N2335 | F2243-E2338 VanDerWaalsContact CD2-OE1 3.23Å; F2243-E2338 WeakPolarHBondContact CD2-OE1 3.43Å; F2243-E2338 WeakPolarHBondContact CE1-OE2 3.32Å; F2243-E2338 WeakPolarHBondContact CG-OE1 3.36Å; R2280-E2338 IonicContact CZ-OE1 3.51Å; R2280-E2338 IonicContact NH1-OE1 3.4Å; R2280-E2338 PolarHBondContact NH1-OE1 3.26Å; R2280-E2338 IonicContact NH2-OE1 3.12Å; R2280-E2338 PolarHBondContact NH2-OE1 3.23Å; I2333-E2338 HydrophobicContact CD1-CB 4.45Å; I2333-E2338 HydrophobicContact CD1-CG 4Å; I2333-E2338 WeakPolarHBondContact CD1-OE1 3.49Å; I2333-E2338 WeakPolarHBondContact CD1-OE2 3.47Å; I2333-E2338 HydrophobicContact CG2-CB 4.05Å; I2333-E2338 WeakPolarHBondContact CG2-OE2 3.31Å; N2335-E2338 PolarHBondContact O-N 3.15Å; N2335-E2338 VanDerWaalsContact O-N 3.11Å | ||
| 2339 | L | 72.8 | Confident | 69.4 | Low | 39.5 Ų | 39.5 | 47.3 Ų | 47.3 | 21% | 0.207 | 25% | 0.245 | C | C | . | . | trans | -76.2 | 133 | 179 | -59 | 166.4 | 0 | 0 | 0 | 110.6 | F2337 E2343 F2344 K2347 S2348 | F2337-L2339 PolarHBondContact O-N 3.05Å; L2339-E2343 HydrophobicContact CD2-CB 4.08Å; L2339-F2344 HydrophobicContact CB-CB 4.03Å; L2339-F2344 HydrophobicContact CB-CD2 4.4Å; L2339-F2344 WeakPolarHBondContact O-CB 3.33Å; L2339-F2344 WeakPolarHBondContact O-CD2 2.94Å; L2339-K2347 HydrophobicContact CD1-CB 3.75Å; L2339-K2347 HydrophobicContact CD1-CD 4.38Å; L2339-K2347 HydrophobicContact CD2-CB 4.48Å; L2339-K2347 HydrophobicContact CD2-CD 3.96Å; L2339-S2348 WeakPolarHBondContact CD1-OG 3.25Å | ||
| 2340 | L | 75.1 | Confident | 70.5 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | trans | -131.7 | 160.7 | 175.4 | -65.4 | 178.9 | 0 | 0 | 0 | 111.7 | Y2239 R2280 V2284 F2331 I2333 E2343 F2344 | Y2239-L2340 HydrophobicContact CE1-CD2 3.98Å; R2280-L2340 HydrophobicContact CB-CD2 4.14Å; R2280-L2340 HydrophobicContact CG-CD2 4.09Å; V2284-L2340 HydrophobicContact CG2-CB 4.04Å; F2331-L2340 HydrophobicContact CB-CD1 3.65Å; F2331-L2340 HydrophobicContact CD1-CD1 3.98Å; F2331-L2340 HydrophobicContact CD1-CD2 4.38Å; F2331-L2340 HydrophobicContact CD2-CD1 4.1Å; F2331-L2340 HydrophobicContact CE1-CD2 4.31Å; F2331-L2340 HydrophobicContact CE2-CD1 4.36Å; F2331-L2340 HydrophobicContact CG-CD1 3.51Å; I2333-L2340 HydrophobicContact CD1-CD1 3.19Å; I2333-L2340 HydrophobicContact CD1-CG 4.13Å; L2340-E2343 PolarHBondContact O-N 3.25Å; L2340-F2344 PolarHBondContact O-N 3.31Å | ||
| 2341 | G | 75.7 | Confident | 71.6 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | 61.6 | -137.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | R2280 V2281 E2343 F2344 L2345 | R2280-G2341 PolarHBondContact O-N 3.33Å; V2281-G2341 WeakPolarHBondContact CG2-O 3.28Å; G2341-E2343 VanDerWaalsContact C-N 3.29Å; G2341-E2343 PolarHBondContact O-N 3.24Å; G2341-F2344 PolarHBondContact O-N 3.01Å; G2341-L2345 PolarHBondContact O-N 3.34Å |
| 2342 | G | 73.5 | Confident | 72.6 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -28.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2345 L2346 | G2342-L2345 PolarHBondContact O-N 3.02Å; G2342-L2346 WeakPolarHBondContact O-CB 3.38Å; G2342-L2346 WeakPolarHBondContact O-CD1 3.14Å; G2342-L2346 VanDerWaalsContact O-CG 3.26Å; G2342-L2346 WeakPolarHBondContact O-CG 3.45Å; G2342-L2346 PolarHBondContact O-N 3.03Å |
| 2343 | E | 76 | Confident | 74.1 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 177.1 | -75.6 | 179.1 | -146.1 | 0 | 0 | 111.9 | R2328 L2339 L2340 G2341 L2345 L2346 K2347 | R2328-E2343 IonicContact CZ-OE1 3.71Å; R2328-E2343 IonicContact CZ-OE2 3.68Å; R2328-E2343 VanDerWaalsContact NH1-CD 3.33Å; R2328-E2343 IonicContact NH1-OE1 3.43Å; R2328-E2343 PolarHBondContact NH1-OE1 3.09Å; R2328-E2343 IonicContact NH1-OE2 2.6Å; R2328-E2343 PolarHBondContact NH1-OE2 3.46Å; R2328-E2343 IonicContact NH2-OE1 3.17Å; R2328-E2343 PolarHBondContact NH2-OE1 3.29Å; R2328-E2343 IonicContact NH2-OE2 3.02Å; R2328-E2343 PolarHBondContact NH2-OE2 3.48Å; L2339-E2343 HydrophobicContact CD2-CB 4.08Å; L2340-E2343 PolarHBondContact O-N 3.25Å; G2341-E2343 VanDerWaalsContact C-N 3.29Å; G2341-E2343 PolarHBondContact O-N 3.24Å; E2343-L2345 VanDerWaalsContact C-N 3.31Å; E2343-L2345 PolarHBondContact O-N 2.79Å; E2343-L2346 PolarHBondContact O-N 3.29Å; E2343-K2347 HydrophobicContact CG-CD 4.4Å; E2343-K2347 VanDerWaalsContact O-CB 3.26Å; E2343-K2347 WeakPolarHBondContact O-CB 3.35Å; E2343-K2347 PolarHBondContact O-N 3.38Å; E2343-K2347 IonicContact OE2-NZ 2.84Å |
| 2344 | F | 82.8 | Confident | 75.9 | Confident | 1.5 Ų | 1.5 | 38 Ų | 38 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 173.9 | 176 | -103.7 | 0 | 0 | 0 | 111.2 | W2258 A2277 R2280 V2281 L2339 L2340 G2341 L2346 S2348 F2349 M2439 | W2258-F2344 HydrophobicContact CD2-CE2 4.23Å; W2258-F2344 AromaticContact CD2-CZ 3.87Å; W2258-F2344 HydrophobicContact CD2-CZ 3.95Å; W2258-F2344 AromaticContact CE2-CE2 3.6Å; W2258-F2344 AromaticContact CE2-CZ 3.57Å; W2258-F2344 VanDerWaalsContact CE2-CZ 3.5Å; W2258-F2344 HydrophobicContact CE3-CE2 4.03Å; W2258-F2344 HydrophobicContact CE3-CZ 4.33Å; W2258-F2344 HydrophobicContact CG-CZ 4.41Å; W2258-F2344 AromaticContact CH2-CZ 3.91Å; W2258-F2344 HydrophobicContact CH2-CZ 4.05Å; W2258-F2344 AromaticContact CZ2-CE2 3.65Å; W2258-F2344 HydrophobicContact CZ2-CE2 3.65Å; W2258-F2344 AromaticContact CZ2-CZ 3.63Å; W2258-F2344 HydrophobicContact CZ2-CZ 3.63Å; W2258-F2344 VanDerWaalsContact CZ2-CZ 3.44Å; W2258-F2344 HydrophobicContact CZ3-CE2 4.28Å; W2258-F2344 HydrophobicContact CZ3-CZ 4.37Å; W2258-F2344 AromaticContact NE1-CE2 3.59Å; W2258-F2344 AromaticContact NE1-CZ 3.93Å; A2277-F2344 HydrophobicContact CB-CE1 3.94Å; A2277-F2344 HydrophobicContact CB-CZ 4.1Å; R2280-F2344 HydrophobicContact CB-CD1 4.04Å; R2280-F2344 HydrophobicContact CB-CE1 3.97Å; R2280-F2344 HydrophobicContact CB-CG 4.23Å; R2280-F2344 HydrophobicContact CB-CZ 4.5Å; R2280-F2344 VanDerWaalsContact CD-CE2 3.42Å; V2281-F2344 HydrophobicContact CG2-CD1 3.61Å; V2281-F2344 HydrophobicContact CG2-CE1 4.3Å; L2339-F2344 HydrophobicContact CB-CB 4.03Å; L2339-F2344 HydrophobicContact CB-CD2 4.4Å; L2339-F2344 WeakPolarHBondContact O-CB 3.33Å; L2339-F2344 WeakPolarHBondContact O-CD2 2.94Å; L2340-F2344 PolarHBondContact O-N 3.31Å; G2341-F2344 PolarHBondContact O-N 3.01Å; F2344-L2346 PolarHBondContact O-N 2.93Å; F2344-S2348 WeakPolarHBondContact O-CB 3.32Å; F2344-S2348 PolarHBondContact O-N 3.2Å; F2344-S2348 VanDerWaalsContact O-N 3.15Å; F2344-F2349 HydrophobicContact CD1-CB 4.32Å; F2344-F2349 HydrophobicContact CE1-CB 3.98Å; F2344-F2349 AromaticContact CE1-CD2 3.99Å; F2344-F2349 HydrophobicContact CE1-CD2 4.14Å; F2344-F2349 HydrophobicContact CE1-CG 4.35Å; F2344-F2349 HydrophobicContact CZ-CB 4.4Å; F2344-F2349 HydrophobicContact CZ-CD2 4.39Å; F2344-F2349 PolarHBondContact O-N 3.28Å; F2344-M2439 HydrophobicContact CE1-CE 4.23Å |
| 2345 | L | 83.8 | Confident | 77.8 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -59.6 | -49.1 | 179.9 | -175.3 | 60.9 | 0 | 0 | 0 | 111.1 | V2281 G2341 G2342 E2343 F2349 L2350 M2439 I2476 | V2281-L2345 HydrophobicContact CG2-CB 4.43Å; G2341-L2345 PolarHBondContact O-N 3.34Å; G2342-L2345 PolarHBondContact O-N 3.02Å; E2343-L2345 VanDerWaalsContact C-N 3.31Å; E2343-L2345 PolarHBondContact O-N 2.79Å; L2345-F2349 HydrophobicContact CD1-CB 4.31Å; L2345-F2349 HydrophobicContact CD1-CD1 3.75Å; L2345-F2349 HydrophobicContact CD1-CE1 4.46Å; L2345-F2349 HydrophobicContact CD1-CG 4.25Å; L2345-L2350 HydrophobicContact CD1-CD1 4.31Å; L2345-L2350 HydrophobicContact CD1-CD2 4.4Å; L2345-L2350 HydrophobicContact CD1-CG 4.04Å; L2345-L2350 HydrophobicContact CG-CD1 4.09Å; L2345-L2350 HydrophobicContact CG-CG 4.21Å; L2345-L2350 VanDerWaalsContact O-CB 3.3Å; L2345-L2350 WeakPolarHBondContact O-CB 3.23Å; L2345-L2350 WeakPolarHBondContact O-CG 3.4Å; L2345-L2350 PolarHBondContact O-N 2.99Å; L2345-M2439 HydrophobicContact CD1-SD 3.92Å; L2345-I2476 HydrophobicContact CD2-CD1 3.71Å |
| 2346 | L | 81.9 | Confident | 79.4 | Confident | 41.5 Ų | 41.5 | 29 Ų | 29 | 22% | 0.217 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -81.3 | -38.2 | -174.1 | -71.1 | 169.6 | 0 | 0 | 0 | 114.5 | G2342 E2343 F2344 L2350 P2351 L2471 | G2342-L2346 WeakPolarHBondContact O-CB 3.38Å; G2342-L2346 WeakPolarHBondContact O-CD1 3.14Å; G2342-L2346 VanDerWaalsContact O-CG 3.26Å; G2342-L2346 WeakPolarHBondContact O-CG 3.45Å; G2342-L2346 PolarHBondContact O-N 3.03Å; E2343-L2346 PolarHBondContact O-N 3.29Å; F2344-L2346 PolarHBondContact O-N 2.93Å; L2346-L2350 HydrophobicContact CD2-CD1 4Å; L2346-P2351 WeakPolarHBondContact O-CD 3.19Å; L2346-P2351 VanDerWaalsContact O-CG 3.26Å; L2346-P2351 WeakPolarHBondContact O-CG 3.38Å; L2346-L2471 HydrophobicContact CD1-CD1 3.58Å; L2346-L2471 HydrophobicContact CD2-CB 4.33Å; L2346-L2471 HydrophobicContact CD2-CD1 3.79Å; L2346-L2471 HydrophobicContact CD2-CD2 3.84Å; L2346-L2471 HydrophobicContact CD2-CG 4.19Å; L2346-L2471 HydrophobicContact CG-CD1 4.35Å |
| 2347 | K | 81.5 | Confident | 81 | Confident | 104.5 Ų | 104.5 | 23.6 Ų | 23.6 | 45% | 0.454 | 12% | 0.117 | S | C | . | . | I | π-helix | trans | -94.9 | -17.5 | -172.5 | -63.7 | 178.6 | 178.3 | 173.6 | 0 | 113.7 | L2339 E2343 | L2339-K2347 HydrophobicContact CD1-CB 3.75Å; L2339-K2347 HydrophobicContact CD1-CD 4.38Å; L2339-K2347 HydrophobicContact CD2-CB 4.48Å; L2339-K2347 HydrophobicContact CD2-CD 3.96Å; E2343-K2347 HydrophobicContact CG-CD 4.4Å; E2343-K2347 VanDerWaalsContact O-CB 3.26Å; E2343-K2347 WeakPolarHBondContact O-CB 3.35Å; E2343-K2347 PolarHBondContact O-N 3.38Å; E2343-K2347 IonicContact OE2-NZ 2.84Å |
| 2348 | S | 83.3 | Confident | 82.5 | Confident | 23.5 Ų | 23.5 | 16 Ų | 16 | 16% | 0.164 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -127.2 | -57.3 | -178 | -118.1 | 0 | 0 | 0 | 0 | 113 | L2339 F2344 P2351 L2352 | L2339-S2348 WeakPolarHBondContact CD1-OG 3.25Å; F2344-S2348 WeakPolarHBondContact O-CB 3.32Å; F2344-S2348 PolarHBondContact O-N 3.2Å; F2344-S2348 VanDerWaalsContact O-N 3.15Å; S2348-P2351 WeakPolarHBondContact O-CD 3.16Å; S2348-L2352 WeakPolarHBondContact O-CB 3.28Å; S2348-L2352 WeakPolarHBondContact O-CD1 3.33Å; S2348-L2352 WeakPolarHBondContact O-CG 3.39Å; S2348-L2352 PolarHBondContact O-N 3.14Å; S2348-L2352 VanDerWaalsContact O-N 3.13Å |
| 2349 | F | 89 | Confident | 83.5 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -67.1 | -54.4 | -172.3 | -175.5 | -85.9 | 0 | 0 | 0 | 113.2 | W2258 A2277 F2344 L2345 L2352 L2353 L2432 C2435 L2436 M2439 | W2258-F2349 HydrophobicContact CH2-CB 4.4Å; W2258-F2349 AromaticContact CH2-CD2 3.67Å; W2258-F2349 HydrophobicContact CH2-CD2 4.03Å; W2258-F2349 HydrophobicContact CH2-CE2 4.42Å; W2258-F2349 HydrophobicContact CH2-CG 4.42Å; W2258-F2349 AromaticContact CZ2-CD2 3.9Å; W2258-F2349 HydrophobicContact CZ2-CD2 3.9Å; W2258-F2349 AromaticContact CZ3-CD2 3.82Å; W2258-F2349 HydrophobicContact CZ3-CD2 3.82Å; W2258-F2349 HydrophobicContact CZ3-CE2 4.16Å; A2277-F2349 HydrophobicContact CB-CD2 4.18Å; A2277-F2349 HydrophobicContact CB-CE2 4.17Å; F2344-F2349 HydrophobicContact CD1-CB 4.32Å; F2344-F2349 HydrophobicContact CE1-CB 3.98Å; F2344-F2349 AromaticContact CE1-CD2 3.99Å; F2344-F2349 HydrophobicContact CE1-CD2 4.14Å; F2344-F2349 HydrophobicContact CE1-CG 4.35Å; F2344-F2349 HydrophobicContact CZ-CB 4.4Å; F2344-F2349 HydrophobicContact CZ-CD2 4.39Å; F2344-F2349 PolarHBondContact O-N 3.28Å; L2345-F2349 HydrophobicContact CD1-CB 4.31Å; L2345-F2349 HydrophobicContact CD1-CD1 3.75Å; L2345-F2349 HydrophobicContact CD1-CE1 4.46Å; L2345-F2349 HydrophobicContact CD1-CG 4.25Å; F2349-L2352 PolarHBondContact O-N 3.27Å; F2349-L2353 WeakPolarHBondContact O-CB 3.31Å; F2349-L2353 PolarHBondContact O-N 3.03Å; F2349-L2432 HydrophobicContact CD2-CD2 4.34Å; F2349-L2432 HydrophobicContact CE2-CD2 3.67Å; F2349-L2432 HydrophobicContact CZ-CB 4.21Å; F2349-L2432 HydrophobicContact CZ-CD2 4.02Å; F2349-L2432 WeakPolarHBondContact CZ-O 3.39Å; F2349-C2435 HydrophobicContact CE2-CB 4Å; F2349-C2435 HydrophobicContact CZ-CB 3.77Å; F2349-L2436 HydrophobicContact CE1-CB 4.19Å; F2349-L2436 HydrophobicContact CE1-CD1 4.21Å; F2349-M2439 HydrophobicContact CD1-SD 4.16Å; F2349-M2439 HydrophobicContact CD2-CE 3.87Å; F2349-M2439 HydrophobicContact CD2-SD 4.12Å; F2349-M2439 HydrophobicContact CE1-SD 3.96Å; F2349-M2439 HydrophobicContact CE2-CE 3.7Å; F2349-M2439 HydrophobicContact CE2-SD 3.91Å; F2349-M2439 HydrophobicContact CG-CE 4.49Å; F2349-M2439 HydrophobicContact CG-SD 4.25Å; F2349-M2439 HydrophobicContact CZ-CE 4.2Å; F2349-M2439 HydrophobicContact CZ-SD 3.83Å |
| 2350 | L | 89.5 | Confident | 84 | Confident | 4.5 Ų | 4.5 | 14 Ų | 14 | 2% | 0.024 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | -179.5 | -69.5 | 174.6 | 0 | 0 | 0 | 112.5 | L2345 L2346 L2352 L2353 V2354 L2436 I2476 L2480 | L2345-L2350 HydrophobicContact CD1-CD1 4.31Å; L2345-L2350 HydrophobicContact CD1-CD2 4.4Å; L2345-L2350 HydrophobicContact CD1-CG 4.04Å; L2345-L2350 HydrophobicContact CG-CD1 4.09Å; L2345-L2350 HydrophobicContact CG-CG 4.21Å; L2345-L2350 VanDerWaalsContact O-CB 3.3Å; L2345-L2350 WeakPolarHBondContact O-CB 3.23Å; L2345-L2350 WeakPolarHBondContact O-CG 3.4Å; L2345-L2350 PolarHBondContact O-N 2.99Å; L2346-L2350 HydrophobicContact CD2-CD1 4Å; L2350-L2352 VanDerWaalsContact C-N 3.27Å; L2350-L2352 PolarHBondContact O-N 3.18Å; L2350-L2353 HydrophobicContact CD2-CD2 4.21Å; L2350-L2353 WeakPolarHBondContact O-CB 3.32Å; L2350-L2353 PolarHBondContact O-N 3.39Å; L2350-V2354 WeakPolarHBondContact O-CB 3.33Å; L2350-V2354 VanDerWaalsContact O-CG2 3.27Å; L2350-V2354 WeakPolarHBondContact O-CG2 3.41Å; L2350-V2354 PolarHBondContact O-N 3.13Å; L2350-L2436 HydrophobicContact CD2-CD1 3.88Å; L2350-I2476 HydrophobicContact CD1-CG1 4.48Å; L2350-I2476 HydrophobicContact CD1-CG2 3.84Å; L2350-I2476 HydrophobicContact CD2-CG2 4.19Å; L2350-L2480 HydrophobicContact CD2-CD1 3.91Å; L2350-L2480 HydrophobicContact CD2-CD2 4.34Å |
| 2351 | P | 88.6 | Confident | 84.3 | Confident | 8.5 Ų | 8.5 | 13.5 Ų | 13.5 | 6% | 0.055 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59 | -36 | 175.3 | -28.4 | 37 | 0 | 0 | 0 | 113.9 | L2346 S2348 R2355 S2376 A2378 | L2346-P2351 WeakPolarHBondContact O-CD 3.19Å; L2346-P2351 VanDerWaalsContact O-CG 3.26Å; L2346-P2351 WeakPolarHBondContact O-CG 3.38Å; S2348-P2351 WeakPolarHBondContact O-CD 3.16Å; P2351-R2355 WeakPolarHBondContact O-CB 3.39Å; P2351-R2355 PolarHBondContact O-N 2.96Å; P2351-S2376 WeakPolarHBondContact CA-O 3.32Å; P2351-A2378 HydrophobicContact CB-CB 3.98Å; P2351-A2378 WeakPolarHBondContact O-CB 3.32Å; P2351-A2378 PolarHBondContact O-N 3.15Å; P2351-A2378 VanDerWaalsContact O-N 3.08Å |
| 2352 | L | 88 | Confident | 84.6 | Confident | 7 Ų | 7 | 18 Ų | 18 | 4% | 0.037 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69 | -45.1 | 175 | -127 | 115.9 | 0 | 0 | 0 | 111.7 | W2258 Y2259 A2262 S2348 F2349 L2350 V2354 R2355 D2356 A2378 | W2258-L2352 HydrophobicContact CH2-CB 4.42Å; W2258-L2352 HydrophobicContact CH2-CD1 4.01Å; W2258-L2352 HydrophobicContact CH2-CD2 3.58Å; W2258-L2352 HydrophobicContact CZ2-CD1 3.83Å; W2258-L2352 HydrophobicContact CZ2-CD2 4.2Å; W2258-L2352 HydrophobicContact CZ3-CD2 4.17Å; Y2259-L2352 HydrophobicContact CD1-CD1 4.3Å; Y2259-L2352 HydrophobicContact CD1-CD2 4.2Å; Y2259-L2352 HydrophobicContact CD2-CB 4.07Å; Y2259-L2352 HydrophobicContact CD2-CD1 3.78Å; Y2259-L2352 HydrophobicContact CD2-CG 4.35Å; Y2259-L2352 HydrophobicContact CE1-CD2 3.75Å; Y2259-L2352 HydrophobicContact CE2-CB 3.55Å; Y2259-L2352 HydrophobicContact CE2-CD1 4.04Å; Y2259-L2352 HydrophobicContact CE2-CD2 4.15Å; Y2259-L2352 HydrophobicContact CE2-CG 4.13Å; Y2259-L2352 HydrophobicContact CG-CD1 3.87Å; A2262-L2352 HydrophobicContact CB-CD2 4.03Å; S2348-L2352 WeakPolarHBondContact O-CB 3.28Å; S2348-L2352 WeakPolarHBondContact O-CD1 3.33Å; S2348-L2352 WeakPolarHBondContact O-CG 3.39Å; S2348-L2352 PolarHBondContact O-N 3.14Å; S2348-L2352 VanDerWaalsContact O-N 3.13Å; F2349-L2352 PolarHBondContact O-N 3.27Å; L2350-L2352 VanDerWaalsContact C-N 3.27Å; L2350-L2352 PolarHBondContact O-N 3.18Å; L2352-V2354 VanDerWaalsContact C-N 3.33Å; L2352-V2354 PolarHBondContact O-N 3.17Å; L2352-R2355 PolarHBondContact O-N 3.34Å; L2352-D2356 PolarHBondContact O-N 2.94Å; L2352-D2356 VanDerWaalsContact O-N 3.1Å; L2352-A2378 HydrophobicContact CB-CB 4.45Å; L2352-A2378 HydrophobicContact CD2-CB 3.59Å; L2352-A2378 HydrophobicContact CG-CB 4Å |
| 2353 | L | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 174.5 | 178.8 | 75.2 | 0 | 0 | 0 | 111.4 | F2349 L2350 T2357 L2429 L2432 F2433 L2436 L2480 | F2349-L2353 WeakPolarHBondContact O-CB 3.31Å; F2349-L2353 PolarHBondContact O-N 3.03Å; L2350-L2353 HydrophobicContact CD2-CD2 4.21Å; L2350-L2353 WeakPolarHBondContact O-CB 3.32Å; L2350-L2353 PolarHBondContact O-N 3.39Å; L2353-T2357 VanDerWaalsContact O-CB 3.29Å; L2353-T2357 WeakPolarHBondContact O-CB 3.3Å; L2353-T2357 PolarHBondContact O-N 3.2Å; L2353-T2357 VanDerWaalsContact O-N 3.08Å; L2353-T2357 PolarHBondContact O-OG1 3.15Å; L2353-L2429 HydrophobicContact CD1-CD2 3.9Å; L2353-L2432 HydrophobicContact CD1-CB 3.61Å; L2353-L2432 HydrophobicContact CD1-CD1 4.22Å; L2353-F2433 HydrophobicContact CD1-CD1 4.37Å; L2353-F2433 HydrophobicContact CD1-CD2 4.06Å; L2353-F2433 HydrophobicContact CD1-CE1 4.24Å; L2353-F2433 HydrophobicContact CD1-CE2 3.92Å; L2353-F2433 HydrophobicContact CD1-CG 4.27Å; L2353-F2433 HydrophobicContact CD1-CZ 4.01Å; L2353-F2433 HydrophobicContact CD2-CE1 4.24Å; L2353-L2436 HydrophobicContact CD2-CD2 3.83Å; L2353-L2480 HydrophobicContact CD2-CD1 4.4Å |
| 2354 | V | 89.1 | Confident | 85 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.1 | -48.6 | 179.3 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | L2350 L2352 D2356 T2357 L2358 L2375 V2377 L2480 M2483 | L2350-V2354 WeakPolarHBondContact O-CB 3.33Å; L2350-V2354 VanDerWaalsContact O-CG2 3.27Å; L2350-V2354 WeakPolarHBondContact O-CG2 3.41Å; L2350-V2354 PolarHBondContact O-N 3.13Å; L2352-V2354 VanDerWaalsContact C-N 3.33Å; L2352-V2354 PolarHBondContact O-N 3.17Å; V2354-D2356 PolarHBondContact O-N 3.12Å; V2354-T2357 PolarHBondContact O-N 3.04Å; V2354-L2358 HydrophobicContact CG1-CD1 3.81Å; V2354-L2358 HydrophobicContact CG1-CG 4.22Å; V2354-L2358 WeakPolarHBondContact O-CB 3.33Å; V2354-L2358 VanDerWaalsContact O-CG 3.29Å; V2354-L2358 WeakPolarHBondContact O-CG 3.22Å; V2354-L2358 PolarHBondContact O-N 3.29Å; V2354-L2375 HydrophobicContact CG1-CB 3.74Å; V2354-L2375 HydrophobicContact CG1-CD1 4.23Å; V2354-L2375 HydrophobicContact CG2-CB 4.13Å; V2354-L2375 HydrophobicContact CG2-CD1 4.21Å; V2354-V2377 HydrophobicContact CG1-CG2 4Å; V2354-L2480 HydrophobicContact CG2-CD2 3.91Å; V2354-M2483 HydrophobicContact CB-SD 4.13Å; V2354-M2483 HydrophobicContact CG1-SD 4.21Å; V2354-M2483 HydrophobicContact CG2-CE 4.49Å; V2354-M2483 HydrophobicContact CG2-SD 3.91Å |
| 2355 | R | 87.1 | Confident | 84.7 | Confident | 10.5 Ų | 10.5 | 26.2 Ų | 26.2 | 4% | 0.04 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.9 | -54.1 | 179.2 | -173.9 | -162.7 | 70.3 | 175.7 | 9.1 | 112.3 | Y2259 P2351 L2352 T2357 L2358 N2359 V2377 A2378 P2379 E2381 | Y2259-R2355 VanDerWaalsContact OH-CZ 3.28Å; Y2259-R2355 PolarHBondContact OH-NE 3.47Å; Y2259-R2355 PolarHBondContact OH-NH1 2.54Å; Y2259-R2355 PolarHBondContact OH-NH2 3.4Å; P2351-R2355 WeakPolarHBondContact O-CB 3.39Å; P2351-R2355 PolarHBondContact O-N 2.96Å; L2352-R2355 PolarHBondContact O-N 3.34Å; R2355-T2357 VanDerWaalsContact C-N 3.29Å; R2355-T2357 PolarHBondContact O-N 3.42Å; R2355-L2358 PolarHBondContact O-N 2.89Å; R2355-N2359 WeakPolarHBondContact O-CB 3.24Å; R2355-N2359 VanDerWaalsContact O-CG 3.26Å; R2355-N2359 PolarHBondContact O-N 2.86Å; R2355-V2377 VanDerWaalsContact CA-CG1 3.5Å; R2355-V2377 HydrophobicContact CB-CG1 3.49Å; R2355-V2377 VanDerWaalsContact CB-CG1 3.43Å; R2355-V2377 HydrophobicContact CG-CG1 3.76Å; R2355-A2378 HydrophobicContact CB-CB 4.26Å; R2355-A2378 WeakPolarHBondContact CD-O 3.25Å; R2355-P2379 WeakPolarHBondContact CD-O 3.35Å; R2355-P2379 PolarHBondContact NH1-O 3.09Å; R2355-P2379 VanDerWaalsContact NH1-O 3.12Å; R2355-E2381 IonicContact CZ-OE2 3.33Å; R2355-E2381 IonicContact NH2-OE2 3.22Å; R2355-E2381 PolarHBondContact NH2-OE2 2.78Å |
| 2356 | D | 87.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.9 | -34.7 | -175.6 | -70.6 | -5.2 | 0 | 0 | 0 | 111.3 | Y2259 L2352 V2354 N2359 V2360 L2425 R2428 L2429 | Y2259-D2356 VanDerWaalsContact CZ-OD2 3.32Å; Y2259-D2356 PolarHBondContact OH-OD1 2.89Å; Y2259-D2356 PolarHBondContact OH-OD2 3.28Å; L2352-D2356 PolarHBondContact O-N 2.94Å; L2352-D2356 VanDerWaalsContact O-N 3.1Å; V2354-D2356 PolarHBondContact O-N 3.12Å; D2356-N2359 PolarHBondContact O-N 3.33Å; D2356-V2360 WeakPolarHBondContact O-CG2 3Å; D2356-V2360 PolarHBondContact O-N 2.9Å; D2356-L2425 HydrophobicContact CB-CD2 3.95Å; D2356-R2428 WeakPolarHBondContact OD2-CD 3.5Å; D2356-R2428 IonicContact OD2-CZ 3.58Å; D2356-R2428 IonicContact OD2-NE 3.42Å; D2356-R2428 PolarHBondContact OD2-NE 3.01Å; D2356-R2428 VanDerWaalsContact OD2-NE 3.12Å; D2356-R2428 IonicContact OD2-NH1 3.25Å; D2356-L2429 HydrophobicContact CB-CD2 3.72Å; D2356-L2429 HydrophobicContact CB-CG 4.12Å |
| 2357 | T | 86.6 | Confident | 83.8 | Confident | 0.5 Ų | 0.5 | 37.7 Ų | 37.7 | 0% | 0.003 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 175.5 | -60 | 0 | 0 | 0 | 0 | 111.4 | L2353 V2354 R2355 N2359 V2360 L2361 L2429 M2483 I2487 | L2353-T2357 VanDerWaalsContact O-CB 3.29Å; L2353-T2357 WeakPolarHBondContact O-CB 3.3Å; L2353-T2357 PolarHBondContact O-N 3.2Å; L2353-T2357 VanDerWaalsContact O-N 3.08Å; L2353-T2357 PolarHBondContact O-OG1 3.15Å; V2354-T2357 PolarHBondContact O-N 3.04Å; R2355-T2357 VanDerWaalsContact C-N 3.29Å; R2355-T2357 PolarHBondContact O-N 3.42Å; T2357-N2359 VanDerWaalsContact C-N 3.31Å; T2357-N2359 PolarHBondContact O-N 3.21Å; T2357-V2360 PolarHBondContact O-N 3.18Å; T2357-L2361 HydrophobicContact CG2-CD1 4.04Å; T2357-L2361 WeakPolarHBondContact O-CB 3.36Å; T2357-L2361 WeakPolarHBondContact O-CG 3.39Å; T2357-L2361 PolarHBondContact O-N 3.2Å; T2357-L2429 VanDerWaalsContact OG1-CD2 3.3Å; T2357-L2429 WeakPolarHBondContact OG1-CD2 3.44Å; T2357-M2483 VanDerWaalsContact CB-SD 3.54Å; T2357-M2483 HydrophobicContact CG2-CE 4.07Å; T2357-M2483 HydrophobicContact CG2-CG 3.5Å; T2357-M2483 HydrophobicContact CG2-SD 3.54Å; T2357-M2483 VanDerWaalsContact CG2-SD 3.54Å; T2357-I2487 HydrophobicContact CG2-CD1 3.21Å; T2357-I2487 HydrophobicContact CG2-CG1 3.55Å |
| 2358 | L | 85.7 | Confident | 83.7 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 176.8 | -66.3 | 178 | 0 | 0 | 0 | 111.3 | V2354 R2355 L2361 R2362 L2368 V2377 | V2354-L2358 HydrophobicContact CG1-CD1 3.81Å; V2354-L2358 HydrophobicContact CG1-CG 4.22Å; V2354-L2358 WeakPolarHBondContact O-CB 3.33Å; V2354-L2358 VanDerWaalsContact O-CG 3.29Å; V2354-L2358 WeakPolarHBondContact O-CG 3.22Å; V2354-L2358 PolarHBondContact O-N 3.29Å; R2355-L2358 PolarHBondContact O-N 2.89Å; L2358-L2361 PolarHBondContact O-N 3.28Å; L2358-R2362 WeakPolarHBondContact O-CB 3.37Å; L2358-R2362 VanDerWaalsContact O-CG 3.26Å; L2358-R2362 WeakPolarHBondContact O-CG 3.17Å; L2358-R2362 PolarHBondContact O-N 3.4Å; L2358-L2368 HydrophobicContact CD2-CD1 4.09Å; L2358-L2368 HydrophobicContact CD2-CD2 3.68Å; L2358-L2368 HydrophobicContact CD2-CG 4.45Å; L2358-V2377 HydrophobicContact CD1-CG1 4.47Å; L2358-V2377 HydrophobicContact CD1-CG2 3.91Å |
| 2359 | N | 84.6 | Confident | 83.5 | Confident | 20.5 Ų | 20.5 | 34.3 Ų | 34.3 | 11% | 0.11 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 176.4 | -73.6 | -14.2 | 0 | 0 | 0 | 111.9 | R2355 D2356 T2357 L2361 R2362 L2363 Y2392 L2425 | R2355-N2359 WeakPolarHBondContact O-CB 3.24Å; R2355-N2359 VanDerWaalsContact O-CG 3.26Å; R2355-N2359 PolarHBondContact O-N 2.86Å; D2356-N2359 PolarHBondContact O-N 3.33Å; T2357-N2359 VanDerWaalsContact C-N 3.31Å; T2357-N2359 PolarHBondContact O-N 3.21Å; N2359-L2361 VanDerWaalsContact C-N 3.34Å; N2359-L2361 PolarHBondContact O-N 2.99Å; N2359-R2362 PolarHBondContact O-N 2.99Å; N2359-L2363 WeakPolarHBondContact O-CB 3.18Å; N2359-L2363 VanDerWaalsContact O-CG 3.26Å; N2359-L2363 WeakPolarHBondContact O-CG 3.3Å; N2359-L2363 PolarHBondContact O-N 3.25Å; N2359-Y2392 HydrophobicContact CB-CE1 4.25Å; N2359-L2425 HydrophobicContact CB-CD1 4.23Å |
| 2360 | V | 83.6 | Confident | 83.1 | Confident | 0.5 Ų | 0.5 | 41.9 Ų | 41.9 | 0% | 0.003 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | D2356 T2357 R2362 L2363 K2364 L2425 L2429 L2529 | D2356-V2360 WeakPolarHBondContact O-CG2 3Å; D2356-V2360 PolarHBondContact O-N 2.9Å; T2357-V2360 PolarHBondContact O-N 3.18Å; V2360-R2362 PolarHBondContact O-N 3.02Å; V2360-L2363 CarbonylContact O-C 3.54Å; V2360-L2363 PolarHBondContact O-N 3.23Å; V2360-K2364 HydrophobicContact CG1-CD 4.1Å; V2360-K2364 HydrophobicContact CG1-CG 4.37Å; V2360-K2364 WeakPolarHBondContact O-CB 3.42Å; V2360-K2364 WeakPolarHBondContact O-CG 3.13Å; V2360-K2364 PolarHBondContact O-N 3.18Å; V2360-L2425 HydrophobicContact CG2-CB 3.27Å; V2360-L2425 HydrophobicContact CG2-CD1 3.83Å; V2360-L2425 HydrophobicContact CG2-CG 4.14Å; V2360-L2429 HydrophobicContact CB-CD1 4.1Å; V2360-L2429 HydrophobicContact CG2-CD1 3.63Å; V2360-L2529 HydrophobicContact CB-CD2 4.3Å; V2360-L2529 HydrophobicContact CG1-CD2 3.52Å |
| 2361 | L | 81.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.4 | -77.6 | 166.8 | 0 | 0 | 0 | 112.3 | T2357 L2358 N2359 K2364 R2365 K2366 L2368 D2486 I2487 I2490 | T2357-L2361 HydrophobicContact CG2-CD1 4.04Å; T2357-L2361 WeakPolarHBondContact O-CB 3.36Å; T2357-L2361 WeakPolarHBondContact O-CG 3.39Å; T2357-L2361 PolarHBondContact O-N 3.2Å; L2358-L2361 PolarHBondContact O-N 3.28Å; N2359-L2361 VanDerWaalsContact C-N 3.34Å; N2359-L2361 PolarHBondContact O-N 2.99Å; L2361-K2364 CarbonylContact O-C 3.49Å; L2361-K2364 PolarHBondContact O-N 3.19Å; L2361-R2365 PolarHBondContact O-N 3.13Å; L2361-K2366 HydrophobicContact CD2-CB 4.14Å; L2361-K2366 HydrophobicContact CD2-CG 4.36Å; L2361-K2366 PolarHBondContact O-N 2.84Å; L2361-L2368 HydrophobicContact CB-CD2 3.65Å; L2361-L2368 HydrophobicContact CD1-CD2 3.47Å; L2361-L2368 VanDerWaalsContact CD1-CD2 3.47Å; L2361-L2368 HydrophobicContact CG-CD2 4.13Å; L2361-D2486 HydrophobicContact CD1-CB 4.21Å; L2361-I2487 HydrophobicContact CD1-CG1 3.96Å; L2361-I2487 HydrophobicContact CG-CG1 4.44Å; L2361-I2490 HydrophobicContact CD2-CD1 3.43Å; L2361-I2490 VanDerWaalsContact CD2-CD1 3.43Å; L2361-I2490 HydrophobicContact CD2-CG1 3.89Å; L2361-I2490 HydrophobicContact CG-CD1 4.42Å |
| 2362 | R | 82 | Confident | 82.4 | Confident | 96.5 Ų | 96.5 | 44 Ų | 44 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.8 | -48.7 | 173.8 | -73 | 171.3 | -179.4 | 178.1 | -1.3 | 111.3 | L2358 N2359 V2360 K2364 R2365 L2368 M2395 | L2358-R2362 WeakPolarHBondContact O-CB 3.37Å; L2358-R2362 VanDerWaalsContact O-CG 3.26Å; L2358-R2362 WeakPolarHBondContact O-CG 3.17Å; L2358-R2362 PolarHBondContact O-N 3.4Å; N2359-R2362 PolarHBondContact O-N 2.99Å; V2360-R2362 PolarHBondContact O-N 3.02Å; R2362-K2364 PolarHBondContact O-N 3.26Å; R2362-R2365 WeakPolarHBondContact O-CA 3.34Å; R2362-R2365 PolarHBondContact O-N 3.25Å; R2362-L2368 HydrophobicContact CG-CD1 3.89Å; R2362-M2395 VanDerWaalsContact C-SD 3.58Å; R2362-M2395 HydrophobicContact CB-CE 4.36Å; R2362-M2395 HydrophobicContact CB-SD 4.15Å; R2362-M2395 WeakPolarHBondContact O-CE 3.34Å |
| 2363 | L | 79.7 | Confident | 82 | Confident | 0.5 Ų | 0.5 | 47.6 Ų | 47.6 | 0% | 0.003 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -31.3 | 175.9 | -71.9 | 166.1 | 0 | 0 | 0 | 112.1 | N2359 V2360 R2365 I2391 M2395 R2418 E2421 I2422 L2425 | N2359-L2363 WeakPolarHBondContact O-CB 3.18Å; N2359-L2363 VanDerWaalsContact O-CG 3.26Å; N2359-L2363 WeakPolarHBondContact O-CG 3.3Å; N2359-L2363 PolarHBondContact O-N 3.25Å; V2360-L2363 CarbonylContact O-C 3.54Å; V2360-L2363 PolarHBondContact O-N 3.23Å; L2363-R2365 VanDerWaalsContact C-N 3.26Å; L2363-R2365 PolarHBondContact O-N 3.35Å; L2363-I2391 HydrophobicContact CD2-CG2 4.08Å; L2363-M2395 HydrophobicContact CB-CE 4.45Å; L2363-M2395 HydrophobicContact CD2-CE 3.57Å; L2363-M2395 HydrophobicContact CD2-SD 4.04Å; L2363-M2395 HydrophobicContact CG-CE 3.97Å; L2363-M2395 HydrophobicContact CG-SD 4.35Å; L2363-R2418 HydrophobicContact CD2-CG 4.1Å; L2363-R2418 PolarHBondContact O-NE 3.11Å; L2363-R2418 PolarHBondContact O-NH2 3.05Å; L2363-E2421 HydrophobicContact CD1-CB 4.34Å; L2363-E2421 HydrophobicContact CD1-CG 3.8Å; L2363-I2422 HydrophobicContact CB-CD1 3.98Å; L2363-I2422 HydrophobicContact CB-CG1 3.64Å; L2363-I2422 HydrophobicContact CD1-CG1 4.18Å; L2363-I2422 HydrophobicContact CG-CG1 4.48Å; L2363-L2425 HydrophobicContact CD1-CD1 3.58Å |
| 2364 | K | 79 | Confident | 81.6 | Confident | 47.5 Ų | 47.5 | 55.2 Ų | 55.2 | 21% | 0.207 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 7.3 | 172.6 | -70.6 | -173 | 176 | -163.5 | 0 | 114.2 | V2360 L2361 R2362 K2366 I2422 I2490 D2527 | V2360-K2364 HydrophobicContact CG1-CD 4.1Å; V2360-K2364 HydrophobicContact CG1-CG 4.37Å; V2360-K2364 WeakPolarHBondContact O-CB 3.42Å; V2360-K2364 WeakPolarHBondContact O-CG 3.13Å; V2360-K2364 PolarHBondContact O-N 3.18Å; L2361-K2364 CarbonylContact O-C 3.49Å; L2361-K2364 PolarHBondContact O-N 3.19Å; R2362-K2364 PolarHBondContact O-N 3.26Å; K2364-K2366 VanDerWaalsContact C-N 3.29Å; K2364-K2366 HydrophobicContact CB-CG 4.33Å; K2364-K2366 PolarHBondContact O-N 3.2Å; K2364-I2422 HydrophobicContact CG-CD1 4.22Å; K2364-I2490 HydrophobicContact CD-CD1 4.31Å; K2364-I2490 HydrophobicContact CD-CG2 4.04Å; K2364-D2527 IonicContact NZ-OD1 2.95Å; K2364-D2527 IonicContact NZ-OD2 3.97Å; K2364-D2527 PolarHBondContact NZ-OD2 2.89Å |
| 2365 | R | 75.4 | Confident | 81.2 | Confident | 173 Ų | 173 | 56 Ų | 56 | 65% | 0.653 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 41 | -179.9 | -60.3 | -179.9 | -177.4 | 168.6 | 2.7 | 112.9 | L2361 R2362 L2363 D2415 | L2361-R2365 PolarHBondContact O-N 3.13Å; R2362-R2365 WeakPolarHBondContact O-CA 3.34Å; R2362-R2365 PolarHBondContact O-N 3.25Å; L2363-R2365 VanDerWaalsContact C-N 3.26Å; L2363-R2365 PolarHBondContact O-N 3.35Å; R2365-D2415 IonicContact NH2-OD1 2.76Å |
| 2366 | K | 74.7 | Confident | 80.9 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 140.7 | 176.9 | -67.6 | -68.1 | 179.4 | 176 | 0 | 111.3 | L2361 K2364 L2368 I2490 | L2361-K2366 HydrophobicContact CD2-CB 4.14Å; L2361-K2366 HydrophobicContact CD2-CG 4.36Å; L2361-K2366 PolarHBondContact O-N 2.84Å; K2364-K2366 VanDerWaalsContact C-N 3.29Å; K2364-K2366 HydrophobicContact CB-CG 4.33Å; K2364-K2366 PolarHBondContact O-N 3.2Å; K2366-L2368 PolarHBondContact O-N 3.13Å; K2366-I2490 HydrophobicContact CG-CG1 4.44Å |
| 2367 | K | 72.2 | Confident | 80.5 | Confident | 198.5 Ų | 198.5 | 62.5 Ų | 62.5 | 86% | 0.863 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 119.5 | 173 | -170.9 | 174.8 | -177.8 | 175.7 | 0 | 108.8 | ||
| 2368 | L | 78.9 | Confident | 80.1 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 144.3 | 176.7 | -67.7 | 166.6 | 0 | 0 | 0 | 110.2 | L2358 L2361 R2362 K2366 L2373 | L2358-L2368 HydrophobicContact CD2-CD1 4.09Å; L2358-L2368 HydrophobicContact CD2-CD2 3.68Å; L2358-L2368 HydrophobicContact CD2-CG 4.45Å; L2361-L2368 HydrophobicContact CB-CD2 3.65Å; L2361-L2368 HydrophobicContact CD1-CD2 3.47Å; L2361-L2368 VanDerWaalsContact CD1-CD2 3.47Å; L2361-L2368 HydrophobicContact CG-CD2 4.13Å; R2362-L2368 HydrophobicContact CG-CD1 3.89Å; K2366-L2368 PolarHBondContact O-N 3.13Å; L2368-L2373 HydrophobicContact CB-CD2 4.4Å; L2368-L2373 HydrophobicContact CB-CG 4.31Å; L2368-L2373 HydrophobicContact CD1-CD2 3.86Å |
| 2369 | S | 80.7 | Confident | 79.5 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 20% | 0.203 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 147.5 | 169.5 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | S2371 S2372 L2373 D2486 | S2369-S2371 WeakPolarHBondContact CB-OG 3.33Å; S2369-S2371 PolarHBondContact O-N 3.17Å; S2369-S2371 PolarHBondContact OG-OG 3.25Å; S2369-S2372 PolarHBondContact O-N 3.39Å; S2369-S2372 VanDerWaalsContact O-N 3.1Å; S2369-S2372 PolarHBondContact O-OG 3.14Å; S2369-S2372 VanDerWaalsContact OG-CB 3.28Å; S2369-S2372 WeakPolarHBondContact OG-CB 3.27Å; S2369-S2372 PolarHBondContact OG-N 3.16Å; S2369-S2372 PolarHBondContact OG-OG 2.93Å; S2369-L2373 PolarHBondContact O-N 2.82Å; S2369-D2486 WeakPolarHBondContact CB-OD1 3.29Å; S2369-D2486 WeakPolarHBondContact CB-OD2 3.24Å; S2369-D2486 PolarHBondContact N-OD2 3.31Å; S2369-D2486 PolarHBondContact OG-OD1 2.93Å; S2369-D2486 PolarHBondContact OG-OD2 2.94Å |
| 2370 | E | 80 | Confident | 78.6 | Confident | 158.5 Ų | 158.5 | 72 Ų | 72 | 74% | 0.741 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.1 | -36.5 | 174.8 | -69.7 | -173.9 | 172.8 | 0 | 0 | 111.5 | S2372 L2373 M2374 | E2370-S2372 VanDerWaalsContact C-N 3.32Å; E2370-S2372 PolarHBondContact O-N 2.96Å; E2370-L2373 WeakPolarHBondContact O-CB 3.3Å; E2370-L2373 PolarHBondContact O-N 3.3Å; E2370-L2373 VanDerWaalsContact O-N 3.13Å; E2370-M2374 WeakPolarHBondContact O-CG 3.34Å; E2370-M2374 PolarHBondContact O-N 3.41Å; E2370-M2374 VanDerWaalsContact O-N 3.15Å |
| 2371 | S | 80.7 | Confident | 77.7 | Confident | 58.5 Ų | 58.5 | 75.1 Ų | 75.1 | 41% | 0.409 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62 | -36.1 | 175.7 | 42.7 | 0 | 0 | 0 | 0 | 113.4 | S2369 L2373 M2374 | S2369-S2371 WeakPolarHBondContact CB-OG 3.33Å; S2369-S2371 PolarHBondContact O-N 3.17Å; S2369-S2371 PolarHBondContact OG-OG 3.25Å; S2371-L2373 VanDerWaalsContact C-N 3.34Å; S2371-M2374 PolarHBondContact O-N 3.45Å |
| 2372 | S | 82.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.8 | -32.6 | 174 | 3.3 | 0 | 0 | 0 | 0 | 112.7 | S2369 E2370 M2374 L2375 P2482 M2483 D2486 | S2369-S2372 PolarHBondContact O-N 3.39Å; S2369-S2372 VanDerWaalsContact O-N 3.1Å; S2369-S2372 PolarHBondContact O-OG 3.14Å; S2369-S2372 VanDerWaalsContact OG-CB 3.28Å; S2369-S2372 WeakPolarHBondContact OG-CB 3.27Å; S2369-S2372 PolarHBondContact OG-N 3.16Å; S2369-S2372 PolarHBondContact OG-OG 2.93Å; E2370-S2372 VanDerWaalsContact C-N 3.32Å; E2370-S2372 PolarHBondContact O-N 2.96Å; S2372-M2374 VanDerWaalsContact C-N 3.31Å; S2372-M2374 PolarHBondContact O-N 3.29Å; S2372-L2375 WeakPolarHBondContact O-CB 3.38Å; S2372-L2375 PolarHBondContact O-N 2.89Å; S2372-P2482 PolarHBondContact OG-O 3.43Å; S2372-M2483 WeakPolarHBondContact OG-CA 3.48Å; S2372-M2483 PolarHBondContact OG-N 3.04Å; S2372-D2486 WeakPolarHBondContact CB-OD2 3.35Å; S2372-D2486 PolarHBondContact OG-OD2 2.85Å |
| 2373 | L | 79.9 | Confident | 75.1 | Confident | 81 Ų | 81 | 80 Ų | 80 | 42% | 0.424 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -73.9 | -21.9 | 178.9 | -68.1 | 171.8 | 0 | 0 | 0 | 112.9 | L2368 S2369 E2370 S2371 L2375 | L2368-L2373 HydrophobicContact CB-CD2 4.4Å; L2368-L2373 HydrophobicContact CB-CG 4.31Å; L2368-L2373 HydrophobicContact CD1-CD2 3.86Å; S2369-L2373 PolarHBondContact O-N 2.82Å; E2370-L2373 WeakPolarHBondContact O-CB 3.3Å; E2370-L2373 PolarHBondContact O-N 3.3Å; E2370-L2373 VanDerWaalsContact O-N 3.13Å; S2371-L2373 VanDerWaalsContact C-N 3.34Å; L2373-L2375 VanDerWaalsContact C-N 3.3Å; L2373-L2375 PolarHBondContact O-N 2.88Å |
| 2374 | M | 81.7 | Confident | 73.8 | Confident | 161 Ų | 161 | 87.2 Ų | 87.2 | 79% | 0.793 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -7.2 | 176.3 | -65.4 | -63.3 | 175.8 | 0 | 0 | 113.7 | E2370 S2371 S2372 | E2370-M2374 WeakPolarHBondContact O-CG 3.34Å; E2370-M2374 PolarHBondContact O-N 3.41Å; E2370-M2374 VanDerWaalsContact O-N 3.15Å; S2371-M2374 PolarHBondContact O-N 3.45Å; S2372-M2374 VanDerWaalsContact C-N 3.31Å; S2372-M2374 PolarHBondContact O-N 3.29Å |
| 2375 | L | 81.9 | Confident | 72.6 | Confident | 20 Ų | 20 | 86.5 Ų | 86.5 | 11% | 0.105 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -68.3 | 147.5 | 177.9 | -65.4 | 175.4 | 0 | 0 | 0 | 111.1 | V2354 S2372 L2373 V2377 L2479 M2483 | V2354-L2375 HydrophobicContact CG1-CB 3.74Å; V2354-L2375 HydrophobicContact CG1-CD1 4.23Å; V2354-L2375 HydrophobicContact CG2-CB 4.13Å; V2354-L2375 HydrophobicContact CG2-CD1 4.21Å; S2372-L2375 WeakPolarHBondContact O-CB 3.38Å; S2372-L2375 PolarHBondContact O-N 2.89Å; L2373-L2375 VanDerWaalsContact C-N 3.3Å; L2373-L2375 PolarHBondContact O-N 2.88Å; L2375-V2377 VanDerWaalsContact O-CG2 3.24Å; L2375-V2377 WeakPolarHBondContact O-CG2 3.36Å; L2375-V2377 PolarHBondContact O-N 3.17Å; L2375-V2377 VanDerWaalsContact O-N 3.1Å; L2375-L2479 HydrophobicContact CD2-CD1 3.87Å; L2375-L2479 HydrophobicContact CD2-CG 4.21Å; L2375-L2479 WeakPolarHBondContact CD2-O 3.29Å; L2375-M2483 HydrophobicContact CD1-CB 3.77Å; L2375-M2483 HydrophobicContact CD1-SD 4.48Å |
| 2376 | S | 79.4 | Confident | 71.7 | Confident | 78.5 Ų | 78.5 | 84.2 Ų | 84.2 | 55% | 0.549 | 45% | 0.451 | S | S | . | . | trans | -63.1 | 120.6 | 173.8 | 116.7 | 0 | 0 | 0 | 0 | 110.5 | P2351 | P2351-S2376 WeakPolarHBondContact CA-O 3.32Š| ||
| 2377 | V | 79.8 | Confident | 70.7 | Confident | 68 Ų | 68 | 82.9 Ų | 82.9 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | trans | -111.6 | 138.1 | -176.6 | -166.4 | 0 | 0 | 0 | 0 | 110.3 | V2354 R2355 L2358 L2375 | V2354-V2377 HydrophobicContact CG1-CG2 4Å; R2355-V2377 VanDerWaalsContact CA-CG1 3.5Å; R2355-V2377 HydrophobicContact CB-CG1 3.49Å; R2355-V2377 VanDerWaalsContact CB-CG1 3.43Å; R2355-V2377 HydrophobicContact CG-CG1 3.76Å; L2358-V2377 HydrophobicContact CD1-CG1 4.47Å; L2358-V2377 HydrophobicContact CD1-CG2 3.91Å; L2375-V2377 VanDerWaalsContact O-CG2 3.24Å; L2375-V2377 WeakPolarHBondContact O-CG2 3.36Å; L2375-V2377 PolarHBondContact O-N 3.17Å; L2375-V2377 VanDerWaalsContact O-N 3.1Å | ||
| 2378 | A | 78.8 | Confident | 70 | Confident | 13 Ų | 13 | 74.1 Ų | 74.1 | 11% | 0.107 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 154.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P2351 L2352 R2355 | P2351-A2378 HydrophobicContact CB-CB 3.98Å; P2351-A2378 WeakPolarHBondContact O-CB 3.32Å; P2351-A2378 PolarHBondContact O-N 3.15Å; P2351-A2378 VanDerWaalsContact O-N 3.08Å; L2352-A2378 HydrophobicContact CB-CB 4.45Å; L2352-A2378 HydrophobicContact CD2-CB 3.59Å; L2352-A2378 HydrophobicContact CG-CB 4Å; R2355-A2378 HydrophobicContact CB-CB 4.26Å; R2355-A2378 WeakPolarHBondContact CD-O 3.25Å |
| 2379 | P | 72.2 | Confident | 69 | Low | 99 Ų | 99 | 76.7 Ų | 76.7 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 151.4 | 175.7 | 23.3 | -33.2 | 0 | 0 | 0 | 112 | R2355 | R2355-P2379 WeakPolarHBondContact CD-O 3.35Å; R2355-P2379 PolarHBondContact NH1-O 3.09Å; R2355-P2379 VanDerWaalsContact NH1-O 3.12Å |
| 2380 | P | 65.6 | Low | 67.9 | Low | 113 Ų | 113 | 79.8 Ų | 79.8 | 73% | 0.734 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 143.8 | 177 | 25.1 | -32.7 | 0 | 0 | 0 | 110.6 | ||
| 2381 | E | 65.5 | Low | 67 | Low | 65 Ų | 65 | 73.1 Ų | 73.1 | 30% | 0.304 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 142.5 | 174.4 | -130.7 | 167.2 | 143.3 | 0 | 0 | 110 | C2263 R2355 I2383 R2428 | C2263-E2381 WeakPolarHBondContact CB-OE1 3.39Å; R2355-E2381 IonicContact CZ-OE2 3.33Å; R2355-E2381 IonicContact NH2-OE2 3.22Å; R2355-E2381 PolarHBondContact NH2-OE2 2.78Å; E2381-I2383 VanDerWaalsContact C-N 3.3Å; E2381-I2383 HydrophobicContact CB-CD1 4.39Å; E2381-I2383 HydrophobicContact CB-CG1 4.02Å; E2381-I2383 PolarHBondContact O-N 3.15Å; E2381-R2428 IonicContact OE1-NH1 3.6Å; E2381-R2428 IonicContact OE2-CZ 2.69Å; E2381-R2428 IonicContact OE2-NH1 2.7Å; E2381-R2428 PolarHBondContact OE2-NH1 2.97Å; E2381-R2428 IonicContact OE2-NH2 3.22Å |
| 2382 | Q | 56.4 | Low | 66 | Low | 168.5 Ų | 168.5 | 72.7 Ų | 72.7 | 79% | 0.787 | 39% | 0.392 | S | S | * | . | trans | -72.3 | 87.9 | 169.2 | -75.1 | -177.4 | -12.1 | 0 | 0 | 108.2 | N2253 N2384 | N2253-Q2382 PolarHBondContact ND2-NE2 2.84Å; N2253-Q2382 PolarHBondContact ND2-OE1 3.48Å; Q2382-N2384 PolarHBondContact O-N 3.41Å | ||
| 2383 | I | 52.8 | Low | 64.9 | Low | 33 Ų | 33 | 79.8 Ų | 79.8 | 17% | 0.169 | 42% | 0.423 | C | S | . | . | trans | -85.2 | 114.8 | -178.6 | -57.1 | 170.6 | 0 | 0 | 0 | 108.3 | E2381 S2385 I2388 Q2389 Y2392 | E2381-I2383 VanDerWaalsContact C-N 3.3Å; E2381-I2383 HydrophobicContact CB-CD1 4.39Å; E2381-I2383 HydrophobicContact CB-CG1 4.02Å; E2381-I2383 PolarHBondContact O-N 3.15Å; I2383-S2385 VanDerWaalsContact C-N 3.27Å; I2383-S2385 WeakPolarHBondContact CG2-OG 3.13Å; I2383-S2385 PolarHBondContact O-N 3.1Å; I2383-I2388 HydrophobicContact CD1-CG2 3.65Å; I2383-I2388 HydrophobicContact CG2-CB 3.73Å; I2383-I2388 HydrophobicContact CG2-CD1 3.99Å; I2383-I2388 HydrophobicContact CG2-CG1 4.43Å; I2383-I2388 HydrophobicContact CG2-CG2 3.82Å; I2383-Q2389 PolarHBondContact O-NE2 3.05Å; I2383-Y2392 HydrophobicContact CD1-CD2 3.86Å; I2383-Y2392 HydrophobicContact CD1-CE2 3.45Å | ||
| 2384 | N | 51.1 | Low | 63.8 | Low | 151.5 Ų | 151.5 | 79.6 Ų | 79.6 | 81% | 0.81 | 42% | 0.422 | S | S | * | . | trans | -71.6 | -13.5 | -179.5 | -80.5 | -14.5 | 0 | 0 | 0 | 114 | Q2382 | Q2382-N2384 PolarHBondContact O-N 3.41Š| ||
| 2385 | S | 53.8 | Low | 62.4 | Low | 34.5 Ų | 34.5 | 74.4 Ų | 74.4 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | trans | -89.8 | 120 | -179.3 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | I2383 I2387 I2388 Q2389 | I2383-S2385 VanDerWaalsContact C-N 3.27Å; I2383-S2385 WeakPolarHBondContact CG2-OG 3.13Å; I2383-S2385 PolarHBondContact O-N 3.1Å; S2385-I2387 PolarHBondContact O-N 3.42Å; S2385-I2388 PolarHBondContact O-N 3.09Å; S2385-I2388 VanDerWaalsContact OG-CB 3.25Å; S2385-I2388 WeakPolarHBondContact OG-CB 3.1Å; S2385-I2388 WeakPolarHBondContact OG-CD1 3.4Å; S2385-I2388 WeakPolarHBondContact OG-CG1 3.41Å; S2385-Q2389 WeakPolarHBondContact O-CG 3.38Å; S2385-Q2389 PolarHBondContact O-N 2.89Å; S2385-Q2389 VanDerWaalsContact O-N 3.07Å | ||
| 2386 | N | 57 | Low | 60.8 | Low | 124 Ų | 124 | 79.6 Ų | 79.6 | 66% | 0.663 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -54.9 | -37.1 | 174.4 | -69.4 | -10.6 | 0 | 0 | 0 | 112.1 | I2388 Q2389 E2390 | N2386-I2388 PolarHBondContact O-N 3.2Å; N2386-Q2389 WeakPolarHBondContact O-CB 3.24Å; N2386-Q2389 PolarHBondContact O-N 3.24Å; N2386-E2390 VanDerWaalsContact O-CB 3.28Å; N2386-E2390 WeakPolarHBondContact O-CB 3.43Å; N2386-E2390 PolarHBondContact O-N 3.48Å |
| 2387 | I | 54.7 | Low | 59.3 | Low | 57.5 Ų | 57.5 | 80.6 Ų | 80.6 | 30% | 0.295 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | -179.1 | -60.6 | 171.4 | 0 | 0 | 0 | 111.7 | S2385 E2390 I2391 Y2417 | S2385-I2387 PolarHBondContact O-N 3.42Å; I2387-E2390 PolarHBondContact O-N 3.15Å; I2387-I2391 HydrophobicContact CG2-CD1 4.27Å; I2387-I2391 VanDerWaalsContact O-CG1 3.31Å; I2387-I2391 WeakPolarHBondContact O-CG1 3.23Å; I2387-I2391 PolarHBondContact O-N 3.24Å; I2387-Y2417 HydrophobicContact CD1-CD2 4.36Å; I2387-Y2417 HydrophobicContact CD1-CE2 3.73Å; I2387-Y2417 HydrophobicContact CG2-CD2 3.79Å; I2387-Y2417 HydrophobicContact CG2-CE2 4.24Å; I2387-Y2417 HydrophobicContact CG2-CG 4.03Å |
| 2388 | I | 57 | Low | 57.4 | Low | 14.5 Ų | 14.5 | 83.5 Ų | 83.5 | 7% | 0.074 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -72 | -39.3 | 178.4 | -62.6 | 173.8 | 0 | 0 | 0 | 110.3 | I2383 S2385 N2386 E2390 I2391 Y2392 | I2383-I2388 HydrophobicContact CD1-CG2 3.65Å; I2383-I2388 HydrophobicContact CG2-CB 3.73Å; I2383-I2388 HydrophobicContact CG2-CD1 3.99Å; I2383-I2388 HydrophobicContact CG2-CG1 4.43Å; I2383-I2388 HydrophobicContact CG2-CG2 3.82Å; S2385-I2388 PolarHBondContact O-N 3.09Å; S2385-I2388 VanDerWaalsContact OG-CB 3.25Å; S2385-I2388 WeakPolarHBondContact OG-CB 3.1Å; S2385-I2388 WeakPolarHBondContact OG-CD1 3.4Å; S2385-I2388 WeakPolarHBondContact OG-CG1 3.41Å; N2386-I2388 PolarHBondContact O-N 3.2Å; I2388-E2390 PolarHBondContact O-N 2.99Å; I2388-I2391 WeakPolarHBondContact O-CB 3.47Å; I2388-I2391 PolarHBondContact O-N 2.88Å; I2388-Y2392 HydrophobicContact CG2-CD2 3.5Å; I2388-Y2392 VanDerWaalsContact CG2-CD2 3.45Å; I2388-Y2392 HydrophobicContact CG2-CE2 3.32Å; I2388-Y2392 WeakPolarHBondContact O-CD2 3.19Å; I2388-Y2392 PolarHBondContact O-N 3.36Å |
| 2389 | Q | 57.8 | Low | 55.4 | Low | 82 Ų | 82 | 91.3 Ų | 91.3 | 38% | 0.383 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.9 | -38.7 | 172.6 | -68 | -176.5 | 6.4 | 0 | 0 | 111.6 | I2383 S2385 N2386 Y2392 K2393 | I2383-Q2389 PolarHBondContact O-NE2 3.05Å; S2385-Q2389 WeakPolarHBondContact O-CG 3.38Å; S2385-Q2389 PolarHBondContact O-N 2.89Å; S2385-Q2389 VanDerWaalsContact O-N 3.07Å; N2386-Q2389 WeakPolarHBondContact O-CB 3.24Å; N2386-Q2389 PolarHBondContact O-N 3.24Å; Q2389-Y2392 PolarHBondContact O-N 3.39Å; Q2389-K2393 WeakPolarHBondContact O-CB 3.17Å; Q2389-K2393 WeakPolarHBondContact O-CG 3.26Å; Q2389-K2393 PolarHBondContact O-N 2.99Å |
| 2390 | E | 57.5 | Low | 53.6 | Low | 95 Ų | 95 | 91.1 Ų | 91.1 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 176.2 | -165.4 | 170 | -157.8 | 0 | 0 | 112.1 | N2386 I2387 I2388 Y2392 K2393 N2394 | N2386-E2390 VanDerWaalsContact O-CB 3.28Å; N2386-E2390 WeakPolarHBondContact O-CB 3.43Å; N2386-E2390 PolarHBondContact O-N 3.48Å; I2387-E2390 PolarHBondContact O-N 3.15Å; I2388-E2390 PolarHBondContact O-N 2.99Å; E2390-Y2392 PolarHBondContact O-N 3.21Å; E2390-K2393 PolarHBondContact O-N 3.09Å; E2390-N2394 WeakPolarHBondContact CG-ND2 3.21Å; E2390-N2394 VanDerWaalsContact O-CB 3.3Å; E2390-N2394 WeakPolarHBondContact O-CB 3.26Å; E2390-N2394 VanDerWaalsContact O-CG 3.28Å; E2390-N2394 PolarHBondContact O-N 3.21Å |
| 2391 | I | 60.4 | Low | 52.1 | Low | 18.5 Ų | 18.5 | 91.8 Ų | 91.8 | 10% | 0.095 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 170.2 | -69.6 | 166.1 | 0 | 0 | 0 | 110.3 | L2363 I2387 I2388 K2393 N2394 M2395 | L2363-I2391 HydrophobicContact CD2-CG2 4.08Å; I2387-I2391 HydrophobicContact CG2-CD1 4.27Å; I2387-I2391 VanDerWaalsContact O-CG1 3.31Å; I2387-I2391 WeakPolarHBondContact O-CG1 3.23Å; I2387-I2391 PolarHBondContact O-N 3.24Å; I2388-I2391 WeakPolarHBondContact O-CB 3.47Å; I2388-I2391 PolarHBondContact O-N 2.88Å; I2391-K2393 VanDerWaalsContact C-N 3.33Å; I2391-K2393 PolarHBondContact O-N 3.44Å; I2391-N2394 PolarHBondContact O-N 3.11Å; I2391-M2395 HydrophobicContact CG2-CE 3.94Å; I2391-M2395 HydrophobicContact CG2-CG 4.39Å; I2391-M2395 WeakPolarHBondContact O-CB 3.34Å; I2391-M2395 WeakPolarHBondContact O-CG 3.28Å; I2391-M2395 PolarHBondContact O-N 2.63Å; I2391-M2395 VanDerWaalsContact O-N 3.07Å |
| 2392 | Y | 60 | Low | 50.6 | Low | 50 Ų | 50 | 94.5 Ų | 94.5 | 20% | 0.196 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -66 | -34.9 | 178.5 | -78.7 | -72.1 | 0 | 0 | 0 | 112.9 | N2359 I2383 I2388 Q2389 E2390 M2395 | N2359-Y2392 HydrophobicContact CB-CE1 4.25Å; I2383-Y2392 HydrophobicContact CD1-CD2 3.86Å; I2383-Y2392 HydrophobicContact CD1-CE2 3.45Å; I2388-Y2392 HydrophobicContact CG2-CD2 3.5Å; I2388-Y2392 VanDerWaalsContact CG2-CD2 3.45Å; I2388-Y2392 HydrophobicContact CG2-CE2 3.32Å; I2388-Y2392 WeakPolarHBondContact O-CD2 3.19Å; I2388-Y2392 PolarHBondContact O-N 3.36Å; Q2389-Y2392 PolarHBondContact O-N 3.39Å; E2390-Y2392 PolarHBondContact O-N 3.21Å; Y2392-M2395 HydrophobicContact CD1-CE 4.18Å; Y2392-M2395 HydrophobicContact CE1-CE 4.4Å |
| 2393 | K | 60 | Low | 49.6 | Very low | 148 Ų | 148 | 93.2 Ų | 93.2 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.1 | -47.2 | 174.5 | -80.3 | 177.2 | 179.9 | 176.7 | 0 | 112.1 | Q2389 E2390 I2391 M2395 N2396 | Q2389-K2393 WeakPolarHBondContact O-CB 3.17Å; Q2389-K2393 WeakPolarHBondContact O-CG 3.26Å; Q2389-K2393 PolarHBondContact O-N 2.99Å; E2390-K2393 PolarHBondContact O-N 3.09Å; I2391-K2393 VanDerWaalsContact C-N 3.33Å; I2391-K2393 PolarHBondContact O-N 3.44Å; K2393-M2395 VanDerWaalsContact C-N 3.26Å; K2393-M2395 PolarHBondContact O-N 3.12Å; K2393-N2396 PolarHBondContact O-N 2.87Å |
| 2394 | N | 56.5 | Low | 49 | Very low | 77 Ų | 77 | 97.6 Ų | 97.6 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.7 | -14.8 | -176.6 | -68.2 | -12.5 | 0 | 0 | 0 | 113 | E2390 I2391 N2396 T2397 I2398 | E2390-N2394 WeakPolarHBondContact CG-ND2 3.21Å; E2390-N2394 VanDerWaalsContact O-CB 3.3Å; E2390-N2394 WeakPolarHBondContact O-CB 3.26Å; E2390-N2394 VanDerWaalsContact O-CG 3.28Å; E2390-N2394 PolarHBondContact O-N 3.21Å; I2391-N2394 PolarHBondContact O-N 3.11Å; N2394-N2396 PolarHBondContact O-N 3.2Å; N2394-T2397 PolarHBondContact O-N 3.12Å; N2394-T2397 PolarHBondContact O-OG1 3.17Å; N2394-I2398 HydrophobicContact CB-CD1 4.41Å; N2394-I2398 WeakPolarHBondContact O-CG1 3.34Å; N2394-I2398 PolarHBondContact O-N 3.31Å |
| 2395 | M | 53 | Low | 48.5 | Very low | 51 Ų | 51 | 98.3 Ų | 98.3 | 25% | 0.251 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -22.1 | 176.8 | -85.2 | -114.7 | -101.6 | 0 | 0 | 114.5 | R2362 L2363 I2391 Y2392 K2393 T2397 | R2362-M2395 VanDerWaalsContact C-SD 3.58Å; R2362-M2395 HydrophobicContact CB-CE 4.36Å; R2362-M2395 HydrophobicContact CB-SD 4.15Å; R2362-M2395 WeakPolarHBondContact O-CE 3.34Å; L2363-M2395 HydrophobicContact CB-CE 4.45Å; L2363-M2395 HydrophobicContact CD2-CE 3.57Å; L2363-M2395 HydrophobicContact CD2-SD 4.04Å; L2363-M2395 HydrophobicContact CG-CE 3.97Å; L2363-M2395 HydrophobicContact CG-SD 4.35Å; I2391-M2395 HydrophobicContact CG2-CE 3.94Å; I2391-M2395 HydrophobicContact CG2-CG 4.39Å; I2391-M2395 WeakPolarHBondContact O-CB 3.34Å; I2391-M2395 WeakPolarHBondContact O-CG 3.28Å; I2391-M2395 PolarHBondContact O-N 2.63Å; I2391-M2395 VanDerWaalsContact O-N 3.07Å; Y2392-M2395 HydrophobicContact CD1-CE 4.18Å; Y2392-M2395 HydrophobicContact CE1-CE 4.4Å; K2393-M2395 VanDerWaalsContact C-N 3.26Å; K2393-M2395 PolarHBondContact O-N 3.12Å; M2395-T2397 VanDerWaalsContact C-N 3.3Å |
| 2396 | N | 48.3 | Very low | 48 | Very low | 130 Ų | 130 | 103.4 Ų | 103.4 | 70% | 0.695 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -79.2 | -13.3 | 174.3 | -71.4 | -16.1 | 0 | 0 | 0 | 112.8 | K2393 N2394 I2398 | K2393-N2396 PolarHBondContact O-N 2.87Å; N2394-N2396 PolarHBondContact O-N 3.2Å; N2396-I2398 PolarHBondContact O-N 3.39Å |
| 2397 | T | 46.6 | Very low | 47.5 | Very low | 100.5 Ų | 100.5 | 99.3 Ų | 99.3 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 37.4 | -179.5 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | N2394 M2395 E2399 | N2394-T2397 PolarHBondContact O-N 3.12Å; N2394-T2397 PolarHBondContact O-OG1 3.17Å; M2395-T2397 VanDerWaalsContact C-N 3.3Å; T2397-E2399 VanDerWaalsContact C-N 3.28Å; T2397-E2399 PolarHBondContact O-N 3.26Å |
| 2398 | I | 40.5 | Very low | 47.2 | Very low | 128 Ų | 128 | 102.1 Ų | 102.1 | 66% | 0.656 | 56% | 0.556 | S | S | * | * | trans | -78.1 | 79.3 | 175.4 | -56.8 | 167.3 | 0 | 0 | 0 | 108.8 | N2394 N2396 | N2394-I2398 HydrophobicContact CB-CD1 4.41Å; N2394-I2398 WeakPolarHBondContact O-CG1 3.34Å; N2394-I2398 PolarHBondContact O-N 3.31Å; N2396-I2398 PolarHBondContact O-N 3.39Å | ||
| 2399 | E | 35.6 | Very low | 46.7 | Very low | 176 Ų | 176 | 107.6 Ų | 107.6 | 82% | 0.822 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -144.5 | 83.1 | 151.2 | -82.4 | 175 | -175.3 | 0 | 0 | 109 | T2397 | T2397-E2399 VanDerWaalsContact C-N 3.28Å; T2397-E2399 PolarHBondContact O-N 3.26Å |
| 2400 | A | 36.2 | Very low | 46.4 | Very low | 96 Ų | 96 | 108.7 Ų | 108.7 | 79% | 0.793 | 59% | 0.594 | S | S | * | * | trans | -17.8 | 79.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2401 | T | 34 | Very low | 46.3 | Very low | 127 Ų | 127 | 107.9 Ų | 107.9 | 78% | 0.779 | 59% | 0.593 | S | S | * | * | trans | -129.4 | 69.2 | 150.5 | 60.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2402 | T | 33.4 | Very low | 46.1 | Very low | 121 Ų | 121 | 110.6 Ų | 110.6 | 74% | 0.742 | 61% | 0.61 | S | S | * | * | trans | -68.8 | 116.4 | 151.9 | 46.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 2403 | N | 35.2 | Very low | 46.1 | Very low | 143 Ų | 143 | 112 Ų | 112 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | trans | 152.6 | 47.5 | 155.8 | -74.9 | -8 | 0 | 0 | 0 | 114.1 | ||||
| 2404 | N | 39.4 | Very low | 46.4 | Very low | 125 Ų | 125 | 107.5 Ų | 107.5 | 67% | 0.668 | 60% | 0.602 | S | S | * | * | trans | -139.5 | 98 | 163.6 | -88.4 | -30 | 0 | 0 | 0 | 111 | T2406 S2407 | N2404-T2406 PolarHBondContact O-N 3.01Å; N2404-T2406 VanDerWaalsContact O-N 3.13Å; N2404-S2407 PolarHBondContact O-N 3.46Å; N2404-S2407 PolarHBondContact O-OG 3.29Å | ||
| 2405 | D | 42 | Very low | 46.9 | Very low | 165 Ų | 165 | 107.4 Ų | 107.4 | 88% | 0.882 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -67.5 | -5 | -174.9 | -69.3 | -32.6 | 0 | 0 | 0 | 114.7 | S2407 | D2405-S2407 VanDerWaalsContact C-N 3.32Š|
| 2406 | T | 42.9 | Very low | 47.7 | Very low | 143 Ų | 143 | 109.7 Ų | 109.7 | 88% | 0.877 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -85.7 | -1.4 | 174.6 | 48 | 0 | 0 | 0 | 0 | 113.9 | N2404 | N2404-T2406 PolarHBondContact O-N 3.01Å; N2404-T2406 VanDerWaalsContact O-N 3.13Å |
| 2407 | S | 45.8 | Very low | 48.8 | Very low | 37 Ų | 37 | 107.8 Ų | 107.8 | 26% | 0.259 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -101.6 | 9 | -173.9 | 65 | 0 | 0 | 0 | 0 | 115.3 | N2404 D2405 N2409 N2410 N2411 | N2404-S2407 PolarHBondContact O-N 3.46Å; N2404-S2407 PolarHBondContact O-OG 3.29Å; D2405-S2407 VanDerWaalsContact C-N 3.32Å; S2407-N2409 PolarHBondContact O-N 3.2Å; S2407-N2410 PolarHBondContact O-N 3.35Å; S2407-N2410 VanDerWaalsContact O-N 3.1Å; S2407-N2411 PolarHBondContact O-N 3.19Å; S2407-N2411 PolarHBondContact OG-ND2 3.24Å; S2407-N2411 VanDerWaalsContact OG-ND2 3.09Å |
| 2408 | N | 48.6 | Very low | 50.2 | Low | 117 Ų | 117 | 105.1 Ų | 105.1 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.5 | -40.6 | -166.4 | -142.5 | 13.3 | 0 | 0 | 0 | 113.4 | V2412 | N2408-V2412 WeakPolarHBondContact O-CG2 3.37Å; N2408-V2412 PolarHBondContact O-N 2.87Å |
| 2409 | N | 47.5 | Very low | 51.7 | Low | 130 Ų | 130 | 103.7 Ų | 103.7 | 70% | 0.695 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.8 | -40.8 | 175.3 | -86.5 | -1.1 | 0 | 0 | 0 | 112.9 | S2407 N2411 V2412 I2413 | S2407-N2409 PolarHBondContact O-N 3.2Å; N2409-N2411 VanDerWaalsContact C-N 3.35Å; N2409-N2411 PolarHBondContact O-N 3.49Å; N2409-V2412 PolarHBondContact O-N 3.04Å; N2409-I2413 WeakPolarHBondContact O-CD1 3.45Å; N2409-I2413 WeakPolarHBondContact O-CG1 3.44Å; N2409-I2413 PolarHBondContact O-N 3.37Å |
| 2410 | N | 50 | Low | 53.4 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.6 | -37.2 | 179.8 | -73.5 | -2.8 | 0 | 0 | 0 | 111.5 | S2407 I2413 H2414 | S2407-N2410 PolarHBondContact O-N 3.35Å; S2407-N2410 VanDerWaalsContact O-N 3.1Å; N2410-I2413 PolarHBondContact O-N 3.36Å; N2410-H2414 WeakPolarHBondContact O-CB 3.47Å; N2410-H2414 PolarHBondContact O-CD2 3.08Å; N2410-H2414 PolarHBondContact O-N 3.1Å |
| 2411 | N | 55.5 | Low | 55.3 | Low | 78 Ų | 78 | 94.7 Ų | 94.7 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 177 | -70.2 | -18.8 | 0 | 0 | 0 | 111.8 | S2407 N2409 I2413 H2414 D2415 | S2407-N2411 PolarHBondContact O-N 3.19Å; S2407-N2411 PolarHBondContact OG-ND2 3.24Å; S2407-N2411 VanDerWaalsContact OG-ND2 3.09Å; N2409-N2411 VanDerWaalsContact C-N 3.35Å; N2409-N2411 PolarHBondContact O-N 3.49Å; N2411-I2413 VanDerWaalsContact C-N 3.34Å; N2411-I2413 PolarHBondContact O-N 2.78Å; N2411-H2414 PolarHBondContact O-N 2.99Å; N2411-D2415 PolarHBondContact O-N 2.87Å |
| 2412 | V | 58.1 | Low | 57.4 | Low | 77 Ų | 77 | 89.5 Ų | 89.5 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 111 | N2408 N2409 D2415 N2416 | N2408-V2412 WeakPolarHBondContact O-CG2 3.37Å; N2408-V2412 PolarHBondContact O-N 2.87Å; N2409-V2412 PolarHBondContact O-N 3.04Å; V2412-D2415 PolarHBondContact O-N 3.21Å; V2412-N2416 WeakPolarHBondContact O-CB 3.25Å; V2412-N2416 VanDerWaalsContact O-CG 3.26Å; V2412-N2416 PolarHBondContact O-N 2.7Å; V2412-N2416 PolarHBondContact O-ND2 2.86Å |
| 2413 | I | 59.6 | Low | 59.3 | Low | 79 Ų | 79 | 86.6 Ų | 86.6 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 176.4 | -67.6 | 166.1 | 0 | 0 | 0 | 110.4 | N2409 N2410 N2411 D2415 N2416 Y2417 | N2409-I2413 WeakPolarHBondContact O-CD1 3.45Å; N2409-I2413 WeakPolarHBondContact O-CG1 3.44Å; N2409-I2413 PolarHBondContact O-N 3.37Å; N2410-I2413 PolarHBondContact O-N 3.36Å; N2411-I2413 VanDerWaalsContact C-N 3.34Å; N2411-I2413 PolarHBondContact O-N 2.78Å; I2413-D2415 PolarHBondContact O-N 3.45Å; I2413-N2416 PolarHBondContact O-N 3.07Å; I2413-Y2417 HydrophobicContact CG2-CD2 3.66Å; I2413-Y2417 HydrophobicContact CG2-CE2 3.54Å; I2413-Y2417 WeakPolarHBondContact O-CD2 3.46Å; I2413-Y2417 PolarHBondContact O-N 3.47Å |
| 2414 | H | 65.4 | Low | 61.3 | Low | 54 Ų | 54 | 81.7 Ų | 81.7 | 25% | 0.25 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 178.5 | -83.5 | -60.3 | 0 | 0 | 0 | 113.2 | N2410 N2411 Y2417 R2418 | N2410-H2414 WeakPolarHBondContact O-CB 3.47Å; N2410-H2414 PolarHBondContact O-CD2 3.08Å; N2410-H2414 PolarHBondContact O-N 3.1Å; N2411-H2414 PolarHBondContact O-N 2.99Å; H2414-Y2417 PolarHBondContact O-N 3.09Å; H2414-R2418 VanDerWaalsContact O-CB 3.22Å; H2414-R2418 WeakPolarHBondContact O-CB 3.28Å; H2414-R2418 PolarHBondContact O-N 2.88Å |
| 2415 | D | 67.7 | Low | 63.3 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 40% | 0.396 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.4 | -34.4 | 178.5 | -81.7 | -32.5 | 0 | 0 | 0 | 112 | R2365 N2411 V2412 I2413 R2418 L2419 | R2365-D2415 IonicContact NH2-OD1 2.76Å; N2411-D2415 PolarHBondContact O-N 2.87Å; V2412-D2415 PolarHBondContact O-N 3.21Å; I2413-D2415 PolarHBondContact O-N 3.45Å; D2415-R2418 PolarHBondContact O-N 3.36Å; D2415-R2418 IonicContact OD1-NH1 2.67Å; D2415-R2418 PolarHBondContact OD1-NH1 3.42Å; D2415-L2419 WeakPolarHBondContact O-CB 3.48Å; D2415-L2419 PolarHBondContact O-N 2.8Å |
| 2416 | N | 69.9 | Low | 65.1 | Low | 100 Ų | 100 | 68.2 Ų | 68.2 | 54% | 0.535 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 173.3 | -73.6 | -15.1 | 0 | 0 | 0 | 112.2 | V2412 I2413 R2418 L2419 A2420 | V2412-N2416 WeakPolarHBondContact O-CB 3.25Å; V2412-N2416 VanDerWaalsContact O-CG 3.26Å; V2412-N2416 PolarHBondContact O-N 2.7Å; V2412-N2416 PolarHBondContact O-ND2 2.86Å; I2413-N2416 PolarHBondContact O-N 3.07Å; N2416-R2418 VanDerWaalsContact C-N 3.29Å; N2416-R2418 PolarHBondContact O-N 3.12Å; N2416-L2419 PolarHBondContact O-N 3.45Å; N2416-A2420 WeakPolarHBondContact O-CB 3.34Å; N2416-A2420 PolarHBondContact O-N 3.47Å |
| 2417 | Y | 71.6 | Confident | 66.7 | Low | 90 Ų | 90 | 62.1 Ų | 62.1 | 35% | 0.353 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 175.5 | -83.9 | -73.1 | 0 | 0 | 0 | 112 | I2387 I2413 H2414 E2421 | I2387-Y2417 HydrophobicContact CD1-CD2 4.36Å; I2387-Y2417 HydrophobicContact CD1-CE2 3.73Å; I2387-Y2417 HydrophobicContact CG2-CD2 3.79Å; I2387-Y2417 HydrophobicContact CG2-CE2 4.24Å; I2387-Y2417 HydrophobicContact CG2-CG 4.03Å; I2413-Y2417 HydrophobicContact CG2-CD2 3.66Å; I2413-Y2417 HydrophobicContact CG2-CE2 3.54Å; I2413-Y2417 WeakPolarHBondContact O-CD2 3.46Å; I2413-Y2417 PolarHBondContact O-N 3.47Å; H2414-Y2417 PolarHBondContact O-N 3.09Å; Y2417-E2421 WeakPolarHBondContact O-CB 3.49Å; Y2417-E2421 PolarHBondContact O-N 2.9Å |
| 2418 | R | 74.4 | Confident | 68.6 | Low | 43 Ų | 43 | 60.6 Ų | 60.6 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 175.2 | 174.4 | -175.4 | 169.5 | -156.6 | -5.9 | 111.8 | L2363 H2414 D2415 N2416 E2421 I2422 | L2363-R2418 HydrophobicContact CD2-CG 4.1Å; L2363-R2418 PolarHBondContact O-NE 3.11Å; L2363-R2418 PolarHBondContact O-NH2 3.05Å; H2414-R2418 VanDerWaalsContact O-CB 3.22Å; H2414-R2418 WeakPolarHBondContact O-CB 3.28Å; H2414-R2418 PolarHBondContact O-N 2.88Å; D2415-R2418 PolarHBondContact O-N 3.36Å; D2415-R2418 IonicContact OD1-NH1 2.67Å; D2415-R2418 PolarHBondContact OD1-NH1 3.42Å; N2416-R2418 VanDerWaalsContact C-N 3.29Å; N2416-R2418 PolarHBondContact O-N 3.12Å; R2418-E2421 PolarHBondContact O-N 2.78Å; R2418-I2422 HydrophobicContact CG-CD1 4.09Å; R2418-I2422 VanDerWaalsContact O-CG1 3.26Å; R2418-I2422 WeakPolarHBondContact O-CG1 3.31Å; R2418-I2422 PolarHBondContact O-N 2.98Å |
| 2419 | L | 72 | Confident | 70.4 | Confident | 99 Ų | 99 | 55 Ų | 55 | 52% | 0.518 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 178.5 | -177.2 | 62.3 | 0 | 0 | 0 | 111.3 | D2415 N2416 E2421 I2422 I2423 | D2415-L2419 WeakPolarHBondContact O-CB 3.48Å; D2415-L2419 PolarHBondContact O-N 2.8Å; N2416-L2419 PolarHBondContact O-N 3.45Å; L2419-E2421 VanDerWaalsContact C-N 3.32Å; L2419-E2421 PolarHBondContact O-N 3.31Å; L2419-I2422 PolarHBondContact O-N 3.46Å; L2419-I2423 HydrophobicContact CG-CD1 4.21Å; L2419-I2423 WeakPolarHBondContact O-CG1 3.25Å; L2419-I2423 PolarHBondContact O-N 3.47Å |
| 2420 | A | 72 | Confident | 72.1 | Confident | 51 Ų | 51 | 50.9 Ų | 50.9 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N2416 I2422 I2423 V2424 | N2416-A2420 WeakPolarHBondContact O-CB 3.34Å; N2416-A2420 PolarHBondContact O-N 3.47Å; A2420-I2422 PolarHBondContact O-N 3.5Å; A2420-I2423 PolarHBondContact O-N 3.46Å; A2420-V2424 WeakPolarHBondContact O-CG2 3.45Å; A2420-V2424 PolarHBondContact O-N 3.13Å; A2420-V2424 VanDerWaalsContact O-N 3.13Å |
| 2421 | E | 77 | Confident | 73.7 | Confident | 31 Ų | 31 | 46 Ų | 46 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 177.5 | -171.1 | 67 | -173.2 | 0 | 0 | 112.2 | L2363 Y2417 R2418 L2419 I2423 V2424 L2425 | L2363-E2421 HydrophobicContact CD1-CB 4.34Å; L2363-E2421 HydrophobicContact CD1-CG 3.8Å; Y2417-E2421 WeakPolarHBondContact O-CB 3.49Å; Y2417-E2421 PolarHBondContact O-N 2.9Å; R2418-E2421 PolarHBondContact O-N 2.78Å; L2419-E2421 VanDerWaalsContact C-N 3.32Å; L2419-E2421 PolarHBondContact O-N 3.31Å; E2421-I2423 VanDerWaalsContact C-N 3.32Å; E2421-I2423 PolarHBondContact O-N 2.97Å; E2421-V2424 PolarHBondContact O-N 3.42Å; E2421-L2425 HydrophobicContact CG-CD1 3.97Å; E2421-L2425 WeakPolarHBondContact O-CB 3.41Å; E2421-L2425 WeakPolarHBondContact O-CG 3.31Å; E2421-L2425 PolarHBondContact O-N 3.02Å |
| 2422 | I | 76.7 | Confident | 75.4 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 174.3 | -71.1 | 166.2 | 0 | 0 | 0 | 110.5 | L2363 K2364 R2418 L2419 A2420 L2425 S2426 | L2363-I2422 HydrophobicContact CB-CD1 3.98Å; L2363-I2422 HydrophobicContact CB-CG1 3.64Å; L2363-I2422 HydrophobicContact CD1-CG1 4.18Å; L2363-I2422 HydrophobicContact CG-CG1 4.48Å; K2364-I2422 HydrophobicContact CG-CD1 4.22Å; R2418-I2422 HydrophobicContact CG-CD1 4.09Å; R2418-I2422 VanDerWaalsContact O-CG1 3.26Å; R2418-I2422 WeakPolarHBondContact O-CG1 3.31Å; R2418-I2422 PolarHBondContact O-N 2.98Å; L2419-I2422 PolarHBondContact O-N 3.46Å; A2420-I2422 PolarHBondContact O-N 3.5Å; I2422-L2425 PolarHBondContact O-N 3.41Å; I2422-S2426 WeakPolarHBondContact O-CB 3.24Å; I2422-S2426 PolarHBondContact O-N 2.78Å; I2422-S2426 PolarHBondContact O-OG 3.21Å |
| 2423 | I | 74 | Confident | 76.8 | Confident | 59 Ų | 59 | 38.8 Ų | 38.8 | 30% | 0.303 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.6 | -49 | -180 | -68.6 | 165 | 0 | 0 | 0 | 110.6 | L2419 A2420 E2421 L2425 S2426 N2427 | L2419-I2423 HydrophobicContact CG-CD1 4.21Å; L2419-I2423 WeakPolarHBondContact O-CG1 3.25Å; L2419-I2423 PolarHBondContact O-N 3.47Å; A2420-I2423 PolarHBondContact O-N 3.46Å; E2421-I2423 VanDerWaalsContact C-N 3.32Å; E2421-I2423 PolarHBondContact O-N 2.97Å; I2423-L2425 PolarHBondContact O-N 3.5Å; I2423-S2426 PolarHBondContact O-N 3.07Å; I2423-N2427 PolarHBondContact O-N 3.23Å; I2423-N2427 PolarHBondContact O-ND2 3.31Å |
| 2424 | V | 77.9 | Confident | 77.9 | Confident | 41 Ų | 41 | 35.1 Ų | 35.1 | 25% | 0.248 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 179.4 | 174 | 0 | 0 | 0 | 0 | 111.1 | C2263 A2420 E2421 N2427 R2428 | C2263-V2424 HydrophobicContact CB-CG1 3.92Å; A2420-V2424 WeakPolarHBondContact O-CG2 3.45Å; A2420-V2424 PolarHBondContact O-N 3.13Å; A2420-V2424 VanDerWaalsContact O-N 3.13Å; E2421-V2424 PolarHBondContact O-N 3.42Å; V2424-N2427 PolarHBondContact O-N 3.44Å; V2424-R2428 PolarHBondContact O-N 3.16Å; V2424-R2428 VanDerWaalsContact O-N 3.09Å |
| 2425 | L | 81.2 | Confident | 79 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | 178.2 | -71.6 | 167.6 | 0 | 0 | 0 | 112.4 | D2356 N2359 V2360 L2363 E2421 I2422 I2423 N2427 R2428 L2429 | D2356-L2425 HydrophobicContact CB-CD2 3.95Å; N2359-L2425 HydrophobicContact CB-CD1 4.23Å; V2360-L2425 HydrophobicContact CG2-CB 3.27Å; V2360-L2425 HydrophobicContact CG2-CD1 3.83Å; V2360-L2425 HydrophobicContact CG2-CG 4.14Å; L2363-L2425 HydrophobicContact CD1-CD1 3.58Å; E2421-L2425 HydrophobicContact CG-CD1 3.97Å; E2421-L2425 WeakPolarHBondContact O-CB 3.41Å; E2421-L2425 WeakPolarHBondContact O-CG 3.31Å; E2421-L2425 PolarHBondContact O-N 3.02Å; I2422-L2425 PolarHBondContact O-N 3.41Å; I2423-L2425 PolarHBondContact O-N 3.5Å; L2425-N2427 VanDerWaalsContact C-N 3.34Å; L2425-N2427 PolarHBondContact O-N 3.21Å; L2425-R2428 PolarHBondContact O-N 3.09Å; L2425-L2429 WeakPolarHBondContact O-CB 3.38Å; L2425-L2429 VanDerWaalsContact O-CG 3.28Å; L2425-L2429 WeakPolarHBondContact O-CG 3.42Å; L2425-L2429 PolarHBondContact O-N 3.2Å |
| 2426 | S | 79.6 | Confident | 80.2 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.1 | -83.1 | 0 | 0 | 0 | 0 | 111.5 | I2422 I2423 L2429 Y2430 D2527 L2529 | I2422-S2426 WeakPolarHBondContact O-CB 3.24Å; I2422-S2426 PolarHBondContact O-N 2.78Å; I2422-S2426 PolarHBondContact O-OG 3.21Å; I2423-S2426 PolarHBondContact O-N 3.07Å; S2426-L2429 PolarHBondContact O-N 2.89Å; S2426-Y2430 WeakPolarHBondContact O-CB 3.19Å; S2426-Y2430 PolarHBondContact O-N 3.5Å; S2426-D2527 PolarHBondContact OG-OD1 3.45Å; S2426-L2529 WeakPolarHBondContact OG-CB 3.22Å |
| 2427 | N | 76.8 | Confident | 81 | Confident | 15 Ų | 15 | 27.3 Ų | 27.3 | 8% | 0.08 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 176 | -76.1 | -22.6 | 0 | 0 | 0 | 112 | I2423 V2424 L2425 Y2430 C2431 | I2423-N2427 PolarHBondContact O-N 3.23Å; I2423-N2427 PolarHBondContact O-ND2 3.31Å; V2424-N2427 PolarHBondContact O-N 3.44Å; L2425-N2427 VanDerWaalsContact C-N 3.34Å; L2425-N2427 PolarHBondContact O-N 3.21Å; N2427-Y2430 WeakPolarHBondContact O-CB 3.41Å; N2427-Y2430 PolarHBondContact O-N 3.38Å; N2427-C2431 PolarHBondContact O-N 3.12Å |
| 2428 | R | 84.7 | Confident | 81.6 | Confident | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.019 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -47.6 | 175.2 | 174 | 167.3 | 29.4 | 175.6 | -8.7 | 111.8 | Y2259 A2262 C2263 D2356 E2381 V2424 L2425 Y2430 C2431 L2432 | Y2259-R2428 VanDerWaalsContact CE1-NH1 3.33Å; Y2259-R2428 HydrophobicContact CE2-CG 4.47Å; A2262-R2428 HydrophobicContact CB-CG 4.1Å; A2262-R2428 VanDerWaalsContact O-CA 3.3Å; A2262-R2428 WeakPolarHBondContact O-CA 3.2Å; C2263-R2428 WeakPolarHBondContact SG-CD 3.36Å; C2263-R2428 PolarHBondContact SG-NE 3.36Å; C2263-R2428 PolarHBondContact SG-NH1 2.82Å; D2356-R2428 WeakPolarHBondContact OD2-CD 3.5Å; D2356-R2428 IonicContact OD2-CZ 3.58Å; D2356-R2428 IonicContact OD2-NE 3.42Å; D2356-R2428 PolarHBondContact OD2-NE 3.01Å; D2356-R2428 VanDerWaalsContact OD2-NE 3.12Å; D2356-R2428 IonicContact OD2-NH1 3.25Å; E2381-R2428 IonicContact OE1-NH1 3.6Å; E2381-R2428 IonicContact OE2-CZ 2.69Å; E2381-R2428 IonicContact OE2-NH1 2.7Å; E2381-R2428 PolarHBondContact OE2-NH1 2.97Å; E2381-R2428 IonicContact OE2-NH2 3.22Å; V2424-R2428 PolarHBondContact O-N 3.16Å; V2424-R2428 VanDerWaalsContact O-N 3.09Å; L2425-R2428 PolarHBondContact O-N 3.09Å; R2428-Y2430 VanDerWaalsContact C-N 3.26Å; R2428-Y2430 PolarHBondContact O-N 3.28Å; R2428-C2431 WeakPolarHBondContact O-CB 3.28Å; R2428-C2431 PolarHBondContact O-N 3.1Å; R2428-C2431 VanDerWaalsContact O-N 3.1Å; R2428-L2432 HydrophobicContact CG-CD1 3.91Å; R2428-L2432 HydrophobicContact CG-CG 4.34Å; R2428-L2432 WeakPolarHBondContact O-CG 3.17Å; R2428-L2432 PolarHBondContact O-N 3.43Å |
| 2429 | L | 87 | Confident | 82.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -36.8 | 176.9 | -73.6 | 175 | 0 | 0 | 0 | 111.7 | L2353 D2356 T2357 V2360 L2425 S2426 C2431 L2432 F2433 L2529 | L2353-L2429 HydrophobicContact CD1-CD2 3.9Å; D2356-L2429 HydrophobicContact CB-CD2 3.72Å; D2356-L2429 HydrophobicContact CB-CG 4.12Å; T2357-L2429 VanDerWaalsContact OG1-CD2 3.3Å; T2357-L2429 WeakPolarHBondContact OG1-CD2 3.44Å; V2360-L2429 HydrophobicContact CB-CD1 4.1Å; V2360-L2429 HydrophobicContact CG2-CD1 3.63Å; L2425-L2429 WeakPolarHBondContact O-CB 3.38Å; L2425-L2429 VanDerWaalsContact O-CG 3.28Å; L2425-L2429 WeakPolarHBondContact O-CG 3.42Å; L2425-L2429 PolarHBondContact O-N 3.2Å; S2426-L2429 PolarHBondContact O-N 2.89Å; L2429-C2431 VanDerWaalsContact C-N 3.33Å; L2429-C2431 PolarHBondContact O-N 2.92Å; L2429-L2432 PolarHBondContact O-N 3.49Å; L2429-F2433 HydrophobicContact CB-CD2 4.31Å; L2429-F2433 HydrophobicContact CB-CE2 4.44Å; L2429-F2433 HydrophobicContact CD2-CE2 4.28Å; L2429-F2433 WeakPolarHBondContact O-CB 3.1Å; L2429-F2433 VanDerWaalsContact O-CD2 3.25Å; L2429-F2433 WeakPolarHBondContact O-CD2 3.21Å; L2429-F2433 PolarHBondContact O-N 2.92Å; L2429-L2529 HydrophobicContact CB-CD1 3.86Å; L2429-L2529 HydrophobicContact CD1-CD1 3.78Å; L2429-L2529 HydrophobicContact CD1-CD2 4.2Å; L2429-L2529 HydrophobicContact CG-CD1 4.46Å |
| 2430 | Y | 83.4 | Confident | 82.8 | Confident | 43 Ų | 43 | 18.1 Ų | 18.1 | 17% | 0.169 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.1 | -50.4 | 172.4 | -178.9 | -73.7 | 0 | 0 | 0 | 111.7 | F2083 S2426 N2427 R2428 S2434 G2528 C2531 A2532 | F2083-Y2430 VanDerWaalsContact O-CD1 3.29Å; F2083-Y2430 WeakPolarHBondContact O-CD1 3.45Å; F2083-Y2430 VanDerWaalsContact O-CE1 3.24Å; F2083-Y2430 WeakPolarHBondContact O-CE1 3.47Å; S2426-Y2430 WeakPolarHBondContact O-CB 3.19Å; S2426-Y2430 PolarHBondContact O-N 3.5Å; N2427-Y2430 WeakPolarHBondContact O-CB 3.41Å; N2427-Y2430 PolarHBondContact O-N 3.38Å; R2428-Y2430 VanDerWaalsContact C-N 3.26Å; R2428-Y2430 PolarHBondContact O-N 3.28Å; Y2430-S2434 VanDerWaalsContact O-CB 3.28Å; Y2430-S2434 WeakPolarHBondContact O-CB 3.44Å; Y2430-S2434 PolarHBondContact O-N 2.96Å; Y2430-S2434 PolarHBondContact O-OG 2.73Å; Y2430-G2528 VanDerWaalsContact CD2-O 3.24Å; Y2430-G2528 WeakPolarHBondContact CD2-O 3.47Å; Y2430-C2531 HydrophobicContact CD2-CB 4.46Å; Y2430-C2531 HydrophobicContact CE2-CB 4.12Å; Y2430-A2532 HydrophobicContact CD2-CB 3.77Å; Y2430-A2532 HydrophobicContact CE2-CB 4.47Å; Y2430-A2532 HydrophobicContact CG-CB 4.1Å |
| 2431 | C | 83.6 | Confident | 83.2 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 178.1 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | R2270 N2427 R2428 L2429 S2434 C2435 | R2270-C2431 PolarHBondContact O-SG 3.1Å; N2427-C2431 PolarHBondContact O-N 3.12Å; R2428-C2431 WeakPolarHBondContact O-CB 3.28Å; R2428-C2431 PolarHBondContact O-N 3.1Å; R2428-C2431 VanDerWaalsContact O-N 3.1Å; L2429-C2431 VanDerWaalsContact C-N 3.33Å; L2429-C2431 PolarHBondContact O-N 2.92Å; C2431-S2434 WeakPolarHBondContact O-CB 3.49Å; C2431-S2434 PolarHBondContact O-N 3.09Å; C2431-C2435 PolarHBondContact O-N 3.22Å; C2431-C2435 PolarHBondContact O-SG 2.93Å |
| 2432 | L | 90 | Very high | 83.1 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.4 | -45.9 | -177.2 | -62.4 | 173.6 | 0 | 0 | 0 | 112.9 | W2258 Y2259 F2349 L2353 R2428 L2429 S2434 C2435 L2436 | W2258-L2432 HydrophobicContact CH2-CD2 4.46Å; W2258-L2432 HydrophobicContact CZ3-CD2 3.81Å; Y2259-L2432 HydrophobicContact CD2-CD1 4.49Å; Y2259-L2432 HydrophobicContact CE2-CD1 3.91Å; F2349-L2432 HydrophobicContact CD2-CD2 4.34Å; F2349-L2432 HydrophobicContact CE2-CD2 3.67Å; F2349-L2432 HydrophobicContact CZ-CB 4.21Å; F2349-L2432 HydrophobicContact CZ-CD2 4.02Å; F2349-L2432 WeakPolarHBondContact CZ-O 3.39Å; L2353-L2432 HydrophobicContact CD1-CB 3.61Å; L2353-L2432 HydrophobicContact CD1-CD1 4.22Å; R2428-L2432 HydrophobicContact CG-CD1 3.91Å; R2428-L2432 HydrophobicContact CG-CG 4.34Å; R2428-L2432 WeakPolarHBondContact O-CG 3.17Å; R2428-L2432 PolarHBondContact O-N 3.43Å; L2429-L2432 PolarHBondContact O-N 3.49Å; L2432-S2434 VanDerWaalsContact C-N 3.26Å; L2432-S2434 PolarHBondContact O-N 3.27Å; L2432-C2435 WeakPolarHBondContact O-CB 3.33Å; L2432-C2435 PolarHBondContact O-N 3.27Å; L2432-L2436 WeakPolarHBondContact O-CB 3.09Å; L2432-L2436 PolarHBondContact O-N 2.85Å |
| 2433 | F | 88.4 | Confident | 83 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.9 | -33.5 | 175.5 | -82.6 | -67.1 | 0 | 0 | 0 | 112 | L2353 L2429 L2436 R2437 M2483 I2487 L2529 A2532 Y2536 | L2353-F2433 HydrophobicContact CD1-CD1 4.37Å; L2353-F2433 HydrophobicContact CD1-CD2 4.06Å; L2353-F2433 HydrophobicContact CD1-CE1 4.24Å; L2353-F2433 HydrophobicContact CD1-CE2 3.92Å; L2353-F2433 HydrophobicContact CD1-CG 4.27Å; L2353-F2433 HydrophobicContact CD1-CZ 4.01Å; L2353-F2433 HydrophobicContact CD2-CE1 4.24Å; L2429-F2433 HydrophobicContact CB-CD2 4.31Å; L2429-F2433 HydrophobicContact CB-CE2 4.44Å; L2429-F2433 HydrophobicContact CD2-CE2 4.28Å; L2429-F2433 WeakPolarHBondContact O-CB 3.1Å; L2429-F2433 VanDerWaalsContact O-CD2 3.25Å; L2429-F2433 WeakPolarHBondContact O-CD2 3.21Å; L2429-F2433 PolarHBondContact O-N 2.92Å; F2433-L2436 HydrophobicContact CD1-CD2 4.3Å; F2433-L2436 PolarHBondContact O-N 2.82Å; F2433-R2437 PolarHBondContact O-N 3.25Å; F2433-M2483 HydrophobicContact CE1-CE 4.49Å; F2433-M2483 HydrophobicContact CZ-CE 4.1Å; F2433-I2487 HydrophobicContact CE2-CD1 4.45Å; F2433-I2487 HydrophobicContact CZ-CD1 3.95Å; F2433-L2529 HydrophobicContact CD2-CD1 4.48Å; F2433-L2529 HydrophobicContact CE2-CD1 4.2Å; F2433-A2532 HydrophobicContact CB-CB 4.08Å; F2433-A2532 HydrophobicContact CD2-CB 4.48Å; F2433-Y2536 HydrophobicContact CD1-CD1 4.2Å; F2433-Y2536 HydrophobicContact CD1-CG 4.15Å; F2433-Y2536 HydrophobicContact CE1-CD1 4.34Å |
| 2434 | S | 83.7 | Confident | 83.2 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 173.5 | -67.5 | 0 | 0 | 0 | 0 | 112.4 | Y2430 C2431 L2432 R2437 | Y2430-S2434 VanDerWaalsContact O-CB 3.28Å; Y2430-S2434 WeakPolarHBondContact O-CB 3.44Å; Y2430-S2434 PolarHBondContact O-N 2.96Å; Y2430-S2434 PolarHBondContact O-OG 2.73Å; C2431-S2434 WeakPolarHBondContact O-CB 3.49Å; C2431-S2434 PolarHBondContact O-N 3.09Å; L2432-S2434 VanDerWaalsContact C-N 3.26Å; L2432-S2434 PolarHBondContact O-N 3.27Å; S2434-R2437 PolarHBondContact OG-NH2 3.26Å |
| 2435 | C | 88.3 | Confident | 83 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.007 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 172.6 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | A2274 I2278 F2349 C2431 L2432 R2437 V2438 M2439 | A2274-C2435 WeakPolarHBondContact CA-SG 3.44Å; A2274-C2435 WeakPolarHBondContact CB-SG 3.46Å; I2278-C2435 HydrophobicContact CD1-CB 4.46Å; I2278-C2435 HydrophobicContact CG1-CB 4.31Å; F2349-C2435 HydrophobicContact CE2-CB 4Å; F2349-C2435 HydrophobicContact CZ-CB 3.77Å; C2431-C2435 PolarHBondContact O-N 3.22Å; C2431-C2435 PolarHBondContact O-SG 2.93Å; L2432-C2435 WeakPolarHBondContact O-CB 3.33Å; L2432-C2435 PolarHBondContact O-N 3.27Å; C2435-R2437 VanDerWaalsContact C-N 3.26Å; C2435-R2437 PolarHBondContact O-N 3.46Å; C2435-V2438 PolarHBondContact O-N 3.35Å; C2435-M2439 HydrophobicContact CB-CE 4.21Å; C2435-M2439 HydrophobicContact CB-SD 4.4Å; C2435-M2439 WeakPolarHBondContact O-CG 3.19Å; C2435-M2439 PolarHBondContact O-N 2.83Å |
| 2436 | L | 91.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55.7 | -41.8 | -176.6 | -178.4 | 64.1 | 0 | 0 | 0 | 111.6 | F2349 L2350 L2353 L2432 F2433 V2438 M2439 L2440 L2480 Y2536 | F2349-L2436 HydrophobicContact CE1-CB 4.19Å; F2349-L2436 HydrophobicContact CE1-CD1 4.21Å; L2350-L2436 HydrophobicContact CD2-CD1 3.88Å; L2353-L2436 HydrophobicContact CD2-CD2 3.83Å; L2432-L2436 WeakPolarHBondContact O-CB 3.09Å; L2432-L2436 PolarHBondContact O-N 2.85Å; F2433-L2436 HydrophobicContact CD1-CD2 4.3Å; F2433-L2436 PolarHBondContact O-N 2.82Å; L2436-V2438 VanDerWaalsContact C-N 3.33Å; L2436-V2438 PolarHBondContact O-N 2.9Å; L2436-M2439 PolarHBondContact O-N 3.23Å; L2436-L2440 HydrophobicContact CD1-CD1 4Å; L2436-L2440 HydrophobicContact CD1-CD2 4.29Å; L2436-L2440 HydrophobicContact CD1-CG 3.87Å; L2436-L2440 HydrophobicContact CD2-CD1 4.48Å; L2436-L2440 HydrophobicContact CG-CD1 3.87Å; L2436-L2440 HydrophobicContact CG-CG 4.16Å; L2436-L2440 WeakPolarHBondContact O-CB 3.4Å; L2436-L2440 VanDerWaalsContact O-CG 3.24Å; L2436-L2440 WeakPolarHBondContact O-CG 3.31Å; L2436-L2440 PolarHBondContact O-N 2.76Å; L2436-L2480 HydrophobicContact CD2-CD1 3.61Å; L2436-Y2536 HydrophobicContact CD2-CD2 4.49Å; L2436-Y2536 HydrophobicContact CD2-CE2 3.74Å; L2436-Y2536 HydrophobicContact CG-CE2 4.08Å |
| 2437 | R | 87.2 | Confident | 82.8 | Confident | 64 Ų | 64 | 19.4 Ų | 19.4 | 24% | 0.242 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.4 | -47.1 | 175.1 | -69.3 | -178.8 | -72.9 | 161.4 | -3.2 | 112.3 | F2433 S2434 C2435 N2441 Y2536 Y2539 | F2433-R2437 PolarHBondContact O-N 3.25Å; S2434-R2437 PolarHBondContact OG-NH2 3.26Å; C2435-R2437 VanDerWaalsContact C-N 3.26Å; C2435-R2437 PolarHBondContact O-N 3.46Å; R2437-N2441 WeakPolarHBondContact O-CB 3.42Å; R2437-N2441 PolarHBondContact O-N 3.38Å; R2437-N2441 PolarHBondContact O-ND2 3.26Å; R2437-N2441 VanDerWaalsContact O-ND2 3.12Å; R2437-Y2536 HydrophobicContact CG-CD2 3.66Å; R2437-Y2536 HydrophobicContact CG-CE2 4.37Å; R2437-Y2539 HydrophobicContact CB-CD1 4.43Å; R2437-Y2539 HydrophobicContact CB-CG 4.36Å; R2437-Y2539 HydrophobicContact CG-CD1 3.88Å; R2437-Y2539 HydrophobicContact CG-CG 3.92Å |
| 2438 | V | 84.2 | Confident | 82.4 | Confident | 38 Ų | 38 | 22 Ų | 22 | 23% | 0.23 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.3 | -45.1 | -179.2 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | F2083 I2278 C2435 L2436 L2440 N2441 Y2442 | F2083-V2438 HydrophobicContact CE1-CG2 3.93Å; I2278-V2438 HydrophobicContact CD1-CB 4.1Å; I2278-V2438 HydrophobicContact CD1-CG1 4.11Å; I2278-V2438 HydrophobicContact CD1-CG2 4.49Å; I2278-V2438 HydrophobicContact CG1-CG1 4.47Å; I2278-V2438 HydrophobicContact CG2-CG1 4.13Å; C2435-V2438 PolarHBondContact O-N 3.35Å; L2436-V2438 VanDerWaalsContact C-N 3.33Å; L2436-V2438 PolarHBondContact O-N 2.9Å; V2438-L2440 PolarHBondContact O-N 3.24Å; V2438-N2441 PolarHBondContact O-N 2.85Å; V2438-Y2442 HydrophobicContact CG1-CD2 3.76Å; V2438-Y2442 HydrophobicContact CG1-CE2 4.15Å; V2438-Y2442 WeakPolarHBondContact O-CD2 3.26Å; V2438-Y2442 PolarHBondContact O-N 3.34Å; V2438-Y2442 VanDerWaalsContact O-N 3.1Å |
| 2439 | M | 86.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.7 | -47.9 | 178.1 | -69.8 | 173.6 | 171.8 | 0 | 0 | 111.8 | A2277 I2278 V2281 F2344 L2345 F2349 C2435 L2436 N2441 S2443 | A2277-M2439 HydrophobicContact CB-CE 3.6Å; A2277-M2439 VanDerWaalsContact O-CE 3.26Å; A2277-M2439 WeakPolarHBondContact O-CE 3.46Å; I2278-M2439 HydrophobicContact CG1-CE 4.17Å; I2278-M2439 HydrophobicContact CG1-CG 4.33Å; V2281-M2439 HydrophobicContact CG2-CE 3.96Å; V2281-M2439 HydrophobicContact CG2-CG 4.41Å; V2281-M2439 HydrophobicContact CG2-SD 4.25Å; F2344-M2439 HydrophobicContact CE1-CE 4.23Å; L2345-M2439 HydrophobicContact CD1-SD 3.92Å; F2349-M2439 HydrophobicContact CD1-SD 4.16Å; F2349-M2439 HydrophobicContact CD2-CE 3.87Å; F2349-M2439 HydrophobicContact CD2-SD 4.12Å; F2349-M2439 HydrophobicContact CE1-SD 3.96Å; F2349-M2439 HydrophobicContact CE2-CE 3.7Å; F2349-M2439 HydrophobicContact CE2-SD 3.91Å; F2349-M2439 HydrophobicContact CG-CE 4.49Å; F2349-M2439 HydrophobicContact CG-SD 4.25Å; F2349-M2439 HydrophobicContact CZ-CE 4.2Å; F2349-M2439 HydrophobicContact CZ-SD 3.83Å; C2435-M2439 HydrophobicContact CB-CE 4.21Å; C2435-M2439 HydrophobicContact CB-SD 4.4Å; C2435-M2439 WeakPolarHBondContact O-CG 3.19Å; C2435-M2439 PolarHBondContact O-N 2.83Å; L2436-M2439 PolarHBondContact O-N 3.23Å; M2439-N2441 VanDerWaalsContact C-N 3.34Å; M2439-N2441 PolarHBondContact O-N 3.35Å; M2439-S2443 WeakPolarHBondContact O-CA 3.28Å; M2439-S2443 WeakPolarHBondContact O-CB 3.3Å; M2439-S2443 PolarHBondContact O-N 3.02Å; M2439-S2443 PolarHBondContact O-OG 3.36Å |
| 2440 | L | 85.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 178.7 | -70.6 | 177.9 | 0 | 0 | 0 | 111.9 | L2436 V2438 R2473 I2476 Y2536 Y2539 | L2436-L2440 HydrophobicContact CD1-CD1 4Å; L2436-L2440 HydrophobicContact CD1-CD2 4.29Å; L2436-L2440 HydrophobicContact CD1-CG 3.87Å; L2436-L2440 HydrophobicContact CD2-CD1 4.48Å; L2436-L2440 HydrophobicContact CG-CD1 3.87Å; L2436-L2440 HydrophobicContact CG-CG 4.16Å; L2436-L2440 WeakPolarHBondContact O-CB 3.4Å; L2436-L2440 VanDerWaalsContact O-CG 3.24Å; L2436-L2440 WeakPolarHBondContact O-CG 3.31Å; L2436-L2440 PolarHBondContact O-N 2.76Å; V2438-L2440 PolarHBondContact O-N 3.24Å; L2440-R2473 HydrophobicContact CB-CG 4.13Å; L2440-R2473 HydrophobicContact CD2-CG 4.35Å; L2440-R2473 WeakPolarHBondContact O-CD 3.29Å; L2440-I2476 HydrophobicContact CD2-CB 3.94Å; L2440-I2476 HydrophobicContact CD2-CD1 3.78Å; L2440-I2476 HydrophobicContact CD2-CG1 4.47Å; L2440-I2476 HydrophobicContact CD2-CG2 3.84Å; L2440-Y2536 HydrophobicContact CD1-CE2 4.12Å; L2440-Y2539 HydrophobicContact CB-CE1 4.43Å; L2440-Y2539 VanDerWaalsContact CB-OH 3.28Å; L2440-Y2539 WeakPolarHBondContact CB-OH 3.42Å; L2440-Y2539 HydrophobicContact CD1-CE1 3.98Å |
| 2441 | N | 79.9 | Confident | 77.3 | Confident | 60 Ų | 60 | 27.6 Ų | 27.6 | 32% | 0.321 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -68.9 | -37.5 | -178.3 | -86.8 | -35.4 | 0 | 0 | 0 | 114.8 | R2437 V2438 M2439 R2473 Y2539 | R2437-N2441 WeakPolarHBondContact O-CB 3.42Å; R2437-N2441 PolarHBondContact O-N 3.38Å; R2437-N2441 PolarHBondContact O-ND2 3.26Å; R2437-N2441 VanDerWaalsContact O-ND2 3.12Å; V2438-N2441 PolarHBondContact O-N 2.85Å; M2439-N2441 VanDerWaalsContact C-N 3.34Å; M2439-N2441 PolarHBondContact O-N 3.35Å; N2441-R2473 PolarHBondContact OD1-NH1 3.19Å; N2441-Y2539 VanDerWaalsContact CG-CE2 3.48Å; N2441-Y2539 WeakPolarHBondContact ND2-CE2 3.35Å; N2441-Y2539 WeakPolarHBondContact OD1-CE2 3.4Å; N2441-Y2539 PolarHBondContact OD1-OH 3.4Å |
| 2442 | Y | 75.2 | Confident | 75.5 | Confident | 127 Ų | 127 | 29.4 Ų | 29.4 | 50% | 0.498 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -111.7 | -9.5 | -169.2 | -66.4 | -73.3 | 0 | 0 | 0 | 113.8 | L2282 C2289 V2438 | L2282-Y2442 HydrophobicContact CD2-CG 4.4Å; C2289-Y2442 VanDerWaalsContact SG-C 3.53Å; C2289-Y2442 PolarHBondContact SG-O 2.95Å; V2438-Y2442 HydrophobicContact CG1-CD2 3.76Å; V2438-Y2442 HydrophobicContact CG1-CE2 4.15Å; V2438-Y2442 WeakPolarHBondContact O-CD2 3.26Å; V2438-Y2442 PolarHBondContact O-N 3.34Å; V2438-Y2442 VanDerWaalsContact O-N 3.1Å |
| 2443 | S | 73.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -119.1 | -17.1 | -174.7 | -37.1 | 0 | 0 | 0 | 0 | 114.7 | V2281 L2282 N2285 M2439 | V2281-S2443 VanDerWaalsContact CG1-OG 3.23Å; V2281-S2443 WeakPolarHBondContact CG1-OG 3.42Å; L2282-S2443 WeakPolarHBondContact CD2-OG 3.4Å; N2285-S2443 WeakPolarHBondContact CB-O 3.37Å; N2285-S2443 PolarHBondContact ND2-O 2.81Å; M2439-S2443 WeakPolarHBondContact O-CA 3.28Å; M2439-S2443 WeakPolarHBondContact O-CB 3.3Å; M2439-S2443 PolarHBondContact O-N 3.02Å; M2439-S2443 PolarHBondContact O-OG 3.36Å |
| 2444 | C | 78 | Confident | 70.6 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.054 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -119 | 130.1 | -172.7 | -56.3 | 0 | 0 | 0 | 0 | 110 | R2473 | C2444-R2473 HydrophobicContact CB-CB 3.96Š|
| 2445 | P | 74.7 | Confident | 68.4 | Low | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | trans | -64.4 | 155.2 | 171.7 | 30.7 | -34.8 | 0 | 0 | 0 | 110 | I2288 N2292 S2472 R2473 | I2288-P2445 HydrophobicContact CG2-CB 4.25Å; I2288-P2445 HydrophobicContact CG2-CG 4.32Å; N2292-P2445 WeakPolarHBondContact ND2-CB 3.39Å; P2445-S2472 WeakPolarHBondContact O-CA 3.37Å; P2445-R2473 WeakPolarHBondContact O-CB 3.37Å; P2445-R2473 PolarHBondContact O-N 3.03Å | ||
| 2446 | T | 78.6 | Confident | 66.1 | Low | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -66.8 | -48.9 | -177.4 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | S2472 R2473 T2474 P2544 L2545 | T2446-S2472 WeakPolarHBondContact O-CB 3.16Å; T2446-R2473 PolarHBondContact OG1-NH2 2.85Å; T2446-T2474 WeakPolarHBondContact O-CG2 3.15Å; T2446-T2474 PolarHBondContact O-N 3.3Å; T2446-T2474 PolarHBondContact O-OG1 2.88Å; T2446-P2544 WeakPolarHBondContact CG2-O 3.34Å; T2446-L2545 HydrophobicContact CG2-CD2 4.36Å |
| 2447 | F | 76.5 | Confident | 63.5 | Low | 24 Ų | 24 | 58.1 Ų | 58.1 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -126.2 | 159 | 171.3 | -68 | -78.5 | 0 | 0 | 0 | 108.9 | T2474 L2545 N2555 V2556 F2559 | F2447-T2474 HydrophobicContact CD1-CG2 4.28Å; F2447-T2474 HydrophobicContact CE1-CG2 3.82Å; F2447-T2474 HydrophobicContact CZ-CG2 4Å; F2447-L2545 HydrophobicContact CE2-CB 4.48Å; F2447-L2545 WeakPolarHBondContact CE2-O 3.43Å; F2447-N2555 HydrophobicContact CE1-CB 4.29Å; F2447-V2556 HydrophobicContact CE2-CG2 4.1Å; F2447-V2556 HydrophobicContact CZ-CG2 4.1Å; F2447-F2559 HydrophobicContact CE1-CB 4.2Å; F2447-F2559 HydrophobicContact CZ-CB 4.47Å |
| 2448 | I | 68.6 | Low | 61.3 | Low | 69 Ų | 69 | 63.4 Ų | 63.4 | 35% | 0.354 | 34% | 0.339 | S | S | . | . | trans | -76.3 | 127.5 | 170.4 | -53.4 | 179.7 | 0 | 0 | 0 | 108.2 | S2450 F2470 | I2448-S2450 PolarHBondContact O-N 2.9Å; I2448-F2470 WeakPolarHBondContact CD1-O 3.42Å | ||
| 2449 | P | 54.4 | Low | 59.2 | Low | 19 Ų | 19 | 65.2 Ų | 65.2 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | trans | -58.7 | 133.7 | 172.6 | -15.6 | 23.6 | 0 | 0 | 0 | 111 | S2451 S2452 Q2550 | P2449-S2451 PolarHBondContact O-N 2.75Å; P2449-S2452 VanDerWaalsContact O-CB 3.31Å; P2449-S2452 WeakPolarHBondContact O-CB 3.35Å; P2449-S2452 PolarHBondContact O-N 3.29Å; P2449-S2452 PolarHBondContact O-OG 3.01Å; P2449-Q2550 VanDerWaalsContact CG-OE1 3.24Å | ||
| 2450 | S | 48.1 | Very low | 56.9 | Low | 94 Ų | 94 | 67.7 Ų | 67.7 | 66% | 0.657 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -61.2 | -28.2 | 172.9 | 35.6 | 0 | 0 | 0 | 0 | 112.7 | I2448 S2452 L2453 | I2448-S2450 PolarHBondContact O-N 2.9Å; S2450-S2452 PolarHBondContact O-N 3.34Å; S2450-L2453 PolarHBondContact O-N 3.19Å |
| 2451 | S | 45.8 | Very low | 54.9 | Low | 53 Ų | 53 | 73.7 Ų | 73.7 | 37% | 0.371 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -63.7 | -25.8 | 173.5 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | I2317 P2449 L2453 I2454 | I2317-S2451 WeakPolarHBondContact CD1-O 3.48Å; P2449-S2451 PolarHBondContact O-N 2.75Å; S2451-L2453 PolarHBondContact O-N 2.89Å; S2451-I2454 PolarHBondContact O-N 3.4Å |
| 2452 | S | 46.4 | Very low | 53 | Low | 39 Ų | 39 | 76.1 Ų | 76.1 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -67.1 | -21.5 | 176.3 | -52.6 | 0 | 0 | 0 | 0 | 113.4 | P2449 S2450 I2455 | P2449-S2452 VanDerWaalsContact O-CB 3.31Å; P2449-S2452 WeakPolarHBondContact O-CB 3.35Å; P2449-S2452 PolarHBondContact O-N 3.29Å; P2449-S2452 PolarHBondContact O-OG 3.01Å; S2450-S2452 PolarHBondContact O-N 3.34Å; S2452-I2455 WeakPolarHBondContact O-CD1 3.41Å |
| 2453 | L | 40.1 | Very low | 51.3 | Low | 147 Ų | 147 | 72.3 Ų | 72.3 | 77% | 0.77 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -85.9 | -18.3 | 179.5 | -75.3 | 161.1 | 0 | 0 | 0 | 112.8 | S2450 S2451 I2455 | S2450-L2453 PolarHBondContact O-N 3.19Å; S2451-L2453 PolarHBondContact O-N 2.89Å; L2453-I2455 PolarHBondContact O-N 2.93Å; L2453-I2455 VanDerWaalsContact O-N 3.15Å |
| 2454 | I | 35.9 | Very low | 49.7 | Very low | 146 Ų | 146 | 78.1 Ų | 78.1 | 75% | 0.749 | 42% | 0.423 | S | S | * | . | trans | -88.9 | 76.9 | 179.5 | -48.3 | 173.9 | 0 | 0 | 0 | 108.1 | S2451 | S2451-I2454 PolarHBondContact O-N 3.4Š| ||
| 2455 | I | 37.4 | Very low | 48.1 | Very low | 67 Ų | 67 | 86.5 Ų | 86.5 | 34% | 0.344 | 46% | 0.458 | S | S | . | . | trans | -123.3 | 129.8 | 172.8 | -55.6 | 176.9 | 0 | 0 | 0 | 109 | I2317 S2452 L2453 N2459 | I2317-I2455 HydrophobicContact CD1-CD1 4.26Å; I2317-I2455 HydrophobicContact CD1-CG1 4.31Å; I2317-I2455 HydrophobicContact CG2-CD1 3.92Å; S2452-I2455 WeakPolarHBondContact O-CD1 3.41Å; L2453-I2455 PolarHBondContact O-N 2.93Å; L2453-I2455 VanDerWaalsContact O-N 3.15Å; I2455-N2459 HydrophobicContact CG2-CB 3.68Å | ||
| 2456 | S | 39.5 | Very low | 46.6 | Very low | 76 Ų | 76 | 90.2 Ų | 90.2 | 53% | 0.531 | 48% | 0.475 | S | S | . | . | trans | -58.4 | 144 | 176.1 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | E2458 N2459 | S2456-E2458 PolarHBondContact O-N 3.43Å; S2456-N2459 PolarHBondContact O-N 2.87Å; S2456-N2459 VanDerWaalsContact O-N 3.1Å | ||
| 2457 | E | 37.7 | Very low | 44.9 | Very low | 174 Ų | 174 | 95.2 Ų | 95.2 | 81% | 0.813 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -50.4 | -32.8 | -174.8 | -71.1 | -178.6 | 153.5 | 0 | 0 | 114.5 | N2459 S2460 | E2457-N2459 VanDerWaalsContact C-N 3.27Å; E2457-N2459 PolarHBondContact O-N 3.48Å; E2457-S2460 WeakPolarHBondContact O-CB 3.19Å; E2457-S2460 PolarHBondContact O-N 2.77Å; E2457-S2460 VanDerWaalsContact O-N 3.11Å; E2457-S2460 PolarHBondContact O-OG 3.34Å |
| 2458 | E | 40.8 | Very low | 43.4 | Very low | 175 Ų | 175 | 95.1 Ų | 95.1 | 82% | 0.818 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -62.1 | -28.6 | -178.8 | -71.5 | -175.2 | 155.8 | 0 | 0 | 114 | S2456 | S2456-E2458 PolarHBondContact O-N 3.43Š|
| 2459 | N | 39.3 | Very low | 42.6 | Very low | 76 Ų | 76 | 94.4 Ų | 94.4 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -87.8 | -5.4 | 179.5 | -65.5 | -37.6 | 0 | 0 | 0 | 113.3 | I2455 S2456 E2457 I2461 M2463 | I2455-N2459 HydrophobicContact CG2-CB 3.68Å; S2456-N2459 PolarHBondContact O-N 2.87Å; S2456-N2459 VanDerWaalsContact O-N 3.1Å; E2457-N2459 VanDerWaalsContact C-N 3.27Å; E2457-N2459 PolarHBondContact O-N 3.48Å; N2459-I2461 VanDerWaalsContact C-N 3.3Å; N2459-I2461 PolarHBondContact O-N 3.36Å; N2459-M2463 WeakPolarHBondContact O-CG 3.39Å; N2459-M2463 PolarHBondContact O-N 3.24Å |
| 2460 | S | 39.3 | Very low | 42.8 | Very low | 51 Ų | 51 | 96.8 Ų | 96.8 | 36% | 0.357 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -29.5 | -179.7 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | E2457 M2463 N2464 | E2457-S2460 WeakPolarHBondContact O-CB 3.19Å; E2457-S2460 PolarHBondContact O-N 2.77Å; E2457-S2460 VanDerWaalsContact O-N 3.11Å; E2457-S2460 PolarHBondContact O-OG 3.34Å; S2460-M2463 PolarHBondContact O-N 2.98Å; S2460-N2464 VanDerWaalsContact O-CB 3.31Å; S2460-N2464 WeakPolarHBondContact O-CB 3.5Å; S2460-N2464 PolarHBondContact O-N 3.26Å; S2460-N2464 PolarHBondContact O-ND2 2.86Å |
| 2461 | I | 41.8 | Very low | 43.8 | Very low | 127 Ų | 127 | 94.9 Ų | 94.9 | 65% | 0.651 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -72.5 | -42.4 | -174.5 | -58.5 | 173.3 | 0 | 0 | 0 | 111.3 | N2459 N2464 K2465 | N2459-I2461 VanDerWaalsContact C-N 3.3Å; N2459-I2461 PolarHBondContact O-N 3.36Å; I2461-N2464 PolarHBondContact O-N 3.48Å; I2461-K2465 PolarHBondContact O-N 3.27Å |
| 2462 | E | 41 | Very low | 45.5 | Very low | 110 Ų | 110 | 92.4 Ų | 92.4 | 51% | 0.514 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.4 | -38.1 | 173.4 | -85.2 | -174.4 | 159.2 | 0 | 0 | 111.7 | N1788 N2464 K2465 H2466 | N1788-E2462 PolarHBondContact ND2-OE1 3.23Å; E2462-N2464 VanDerWaalsContact C-N 3.33Å; E2462-N2464 PolarHBondContact O-N 2.93Å; E2462-K2465 PolarHBondContact O-N 3.32Å; E2462-H2466 PolarHBondContact O-N 2.94Å |
| 2463 | M | 39.2 | Very low | 47.4 | Very low | 48 Ų | 48 | 91.1 Ų | 91.1 | 24% | 0.236 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.3 | -30.8 | 173.7 | -76.9 | -77.2 | -70.8 | 0 | 0 | 113.1 | L2321 N2459 S2460 H2466 Q2467 Y2468 | L2321-M2463 HydrophobicContact CD1-SD 3.8Å; L2321-M2463 HydrophobicContact CD2-SD 4.14Å; N2459-M2463 WeakPolarHBondContact O-CG 3.39Å; N2459-M2463 PolarHBondContact O-N 3.24Å; S2460-M2463 PolarHBondContact O-N 2.98Å; M2463-H2466 CarbonylContact O-C 3.56Å; M2463-H2466 PolarHBondContact O-N 3.37Å; M2463-Q2467 PolarHBondContact O-N 3.43Å; M2463-Y2468 HydrophobicContact CE-CD2 4.29Å; M2463-Y2468 HydrophobicContact SD-CD2 3.46Å; M2463-Y2468 WeakPolarHBondContact SD-CD2 3.11Å; M2463-Y2468 HydrophobicContact SD-CE2 4.1Å; M2463-Y2468 HydrophobicContact SD-CG 4.36Å |
| 2464 | N | 40.4 | Very low | 49.7 | Very low | 121 Ų | 121 | 84.3 Ų | 84.3 | 65% | 0.647 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -74.1 | -31 | 177.9 | -79.3 | -21.4 | 0 | 0 | 0 | 112.3 | S2460 I2461 E2462 H2466 | S2460-N2464 VanDerWaalsContact O-CB 3.31Å; S2460-N2464 WeakPolarHBondContact O-CB 3.5Å; S2460-N2464 PolarHBondContact O-N 3.26Å; S2460-N2464 PolarHBondContact O-ND2 2.86Å; I2461-N2464 PolarHBondContact O-N 3.48Å; E2462-N2464 VanDerWaalsContact C-N 3.33Å; E2462-N2464 PolarHBondContact O-N 2.93Å; N2464-H2466 VanDerWaalsContact C-N 3.32Å |
| 2465 | K | 43.9 | Very low | 52.1 | Low | 185 Ų | 185 | 80.4 Ų | 80.4 | 80% | 0.804 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.6 | -32 | 172.7 | -97.5 | -176.6 | 176 | 178 | 0 | 112.6 | I2461 E2462 | I2461-K2465 PolarHBondContact O-N 3.27Å; E2462-K2465 PolarHBondContact O-N 3.32Å |
| 2466 | H | 43.2 | Very low | 54.6 | Low | 85 Ų | 85 | 77.3 Ų | 77.3 | 39% | 0.394 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -120.4 | 83.6 | 175 | -60.4 | -60.6 | 0 | 0 | 0 | 107.8 | E2462 M2463 N2464 Y2468 | E2462-H2466 PolarHBondContact O-N 2.94Å; M2463-H2466 CarbonylContact O-C 3.56Å; M2463-H2466 PolarHBondContact O-N 3.37Å; N2464-H2466 VanDerWaalsContact C-N 3.32Å; H2466-Y2468 HydrophobicContact CB-CD2 3.91Å; H2466-Y2468 HydrophobicContact CB-CE1 4.33Å; H2466-Y2468 HydrophobicContact CB-CE2 3.24Å; H2466-Y2468 VanDerWaalsContact CB-CZ 3.48Å; H2466-Y2468 WeakPolarHBondContact O-CD2 3.28Å; H2466-Y2468 VanDerWaalsContact O-CE2 3.23Å; H2466-Y2468 WeakPolarHBondContact O-CE2 3.26Å; H2466-Y2468 PolarHBondContact O-N 2.85Å |
| 2467 | Q | 43 | Very low | 57.1 | Low | 114 Ų | 114 | 73.7 Ų | 73.7 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | trans | -56.9 | 88.2 | 174.1 | -87.8 | 179.7 | -31.7 | 0 | 0 | 110.1 | M2463 S2469 | M2463-Q2467 PolarHBondContact O-N 3.43Å; Q2467-S2469 PolarHBondContact O-N 2.98Å | ||
| 2468 | Y | 46.1 | Very low | 59.7 | Low | 21 Ų | 21 | 67 Ų | 67 | 8% | 0.082 | 34% | 0.337 | C | S | . | . | trans | -77.1 | 73.2 | 169.8 | -58.2 | -84.9 | 0 | 0 | 0 | 106.9 | L2321 Q2324 L2325 M2463 H2466 F2470 | L2321-Y2468 HydrophobicContact CD1-CD1 3.85Å; L2321-Y2468 HydrophobicContact CD1-CD2 3.22Å; L2321-Y2468 HydrophobicContact CD1-CE1 3.82Å; L2321-Y2468 HydrophobicContact CD1-CE2 3.17Å; L2321-Y2468 HydrophobicContact CD1-CG 3.55Å; L2321-Y2468 VanDerWaalsContact CD1-CZ 3.49Å; L2321-Y2468 HydrophobicContact CD2-CE2 4.13Å; L2321-Y2468 HydrophobicContact CG-CD2 4.32Å; L2321-Y2468 HydrophobicContact CG-CE2 3.82Å; Q2324-Y2468 HydrophobicContact CB-CE1 4.3Å; L2325-Y2468 WeakPolarHBondContact CD2-OH 3.37Å; L2325-Y2468 WeakPolarHBondContact CG-OH 3.26Å; M2463-Y2468 HydrophobicContact CE-CD2 4.29Å; M2463-Y2468 HydrophobicContact SD-CD2 3.46Å; M2463-Y2468 WeakPolarHBondContact SD-CD2 3.11Å; M2463-Y2468 HydrophobicContact SD-CE2 4.1Å; M2463-Y2468 HydrophobicContact SD-CG 4.36Å; H2466-Y2468 HydrophobicContact CB-CD2 3.91Å; H2466-Y2468 HydrophobicContact CB-CE1 4.33Å; H2466-Y2468 HydrophobicContact CB-CE2 3.24Å; H2466-Y2468 VanDerWaalsContact CB-CZ 3.48Å; H2466-Y2468 WeakPolarHBondContact O-CD2 3.28Å; H2466-Y2468 VanDerWaalsContact O-CE2 3.23Å; H2466-Y2468 WeakPolarHBondContact O-CE2 3.26Å; H2466-Y2468 PolarHBondContact O-N 2.85Å; Y2468-F2470 VanDerWaalsContact O-CD2 3.27Å; Y2468-F2470 WeakPolarHBondContact O-CD2 3.33Å; Y2468-F2470 PolarHBondContact O-N 3.39Å | ||
| 2469 | S | 51.5 | Low | 62.1 | Low | 55 Ų | 55 | 62.3 Ų | 62.3 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | trans | -68.6 | 87.3 | 175.7 | -59.4 | 0 | 0 | 0 | 0 | 108.1 | Q2467 L2471 | Q2467-S2469 PolarHBondContact O-N 2.98Å; S2469-L2471 VanDerWaalsContact C-N 3.32Å; S2469-L2471 PolarHBondContact O-N 2.56Å | ||
| 2470 | F | 59.3 | Low | 64.6 | Low | 68 Ų | 68 | 58.7 Ų | 58.7 | 30% | 0.298 | 30% | 0.298 | S | S | . | . | trans | -71 | 92.9 | 166.6 | -65.9 | -80.3 | 0 | 0 | 0 | 107.3 | I2288 I2448 Y2468 | I2288-F2470 HydrophobicContact CD1-CD1 4.06Å; I2288-F2470 HydrophobicContact CD1-CE1 3.66Å; I2288-F2470 HydrophobicContact CG1-CE1 4.39Å; I2448-F2470 WeakPolarHBondContact CD1-O 3.42Å; Y2468-F2470 VanDerWaalsContact O-CD2 3.27Å; Y2468-F2470 WeakPolarHBondContact O-CD2 3.33Å; Y2468-F2470 PolarHBondContact O-N 3.39Å | ||
| 2471 | L | 68.5 | Low | 67.2 | Low | 55 Ų | 55 | 56.3 Ų | 56.3 | 29% | 0.288 | 28% | 0.281 | S | S | . | . | trans | -83.6 | 134.4 | 161.3 | -91.6 | 85.7 | 0 | 0 | 0 | 108.7 | L2346 S2469 D2475 I2476 | L2346-L2471 HydrophobicContact CD1-CD1 3.58Å; L2346-L2471 HydrophobicContact CD2-CB 4.33Å; L2346-L2471 HydrophobicContact CD2-CD1 3.79Å; L2346-L2471 HydrophobicContact CD2-CD2 3.84Å; L2346-L2471 HydrophobicContact CD2-CG 4.19Å; L2346-L2471 HydrophobicContact CG-CD1 4.35Å; S2469-L2471 VanDerWaalsContact C-N 3.32Å; S2469-L2471 PolarHBondContact O-N 2.56Å; L2471-D2475 HydrophobicContact CB-CB 4.42Å; L2471-D2475 HydrophobicContact CD2-CB 3.99Å; L2471-D2475 HydrophobicContact CG-CB 4.25Å; L2471-I2476 HydrophobicContact CB-CD1 4.25Å; L2471-I2476 HydrophobicContact CB-CG1 3.97Å; L2471-I2476 HydrophobicContact CD2-CG1 4.09Å | ||
| 2472 | S | 80.6 | Confident | 69.6 | Low | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | trans | -73.9 | 160.2 | 169.5 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | P2445 T2446 T2474 D2475 I2476 | P2445-S2472 WeakPolarHBondContact O-CA 3.37Å; T2446-S2472 WeakPolarHBondContact O-CB 3.16Å; S2472-T2474 PolarHBondContact O-N 2.82Å; S2472-T2474 PolarHBondContact OG-OG1 3Å; S2472-D2475 WeakPolarHBondContact CB-OD2 3.25Å; S2472-D2475 PolarHBondContact N-OD2 2.95Å; S2472-D2475 PolarHBondContact O-N 3.21Å; S2472-D2475 VanDerWaalsContact O-N 3.12Å; S2472-D2475 PolarHBondContact OG-N 2.97Å; S2472-D2475 PolarHBondContact OG-OD1 3.27Å; S2472-D2475 PolarHBondContact OG-OD2 3.41Å; S2472-I2476 PolarHBondContact O-N 3.39Å; S2472-I2476 VanDerWaalsContact O-N 3.13Å | ||
| 2473 | R | 86.3 | Confident | 72 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.5 | -40.6 | 172.1 | 178.5 | 165.3 | 64.8 | 174 | 0.1 | 111.3 | L2440 N2441 C2444 P2445 T2446 I2476 C2477 Y2539 L2543 P2544 | L2440-R2473 HydrophobicContact CB-CG 4.13Å; L2440-R2473 HydrophobicContact CD2-CG 4.35Å; L2440-R2473 WeakPolarHBondContact O-CD 3.29Å; N2441-R2473 PolarHBondContact OD1-NH1 3.19Å; C2444-R2473 HydrophobicContact CB-CB 3.96Å; P2445-R2473 WeakPolarHBondContact O-CB 3.37Å; P2445-R2473 PolarHBondContact O-N 3.03Å; T2446-R2473 PolarHBondContact OG1-NH2 2.85Å; R2473-I2476 PolarHBondContact O-N 2.99Å; R2473-C2477 PolarHBondContact O-N 2.81Å; R2473-C2477 PolarHBondContact O-SG 3.32Å; R2473-Y2539 VanDerWaalsContact CD-OH 3.32Å; R2473-Y2539 WeakPolarHBondContact CD-OH 3.41Å; R2473-L2543 HydrophobicContact CG-CD1 4.21Å; R2473-P2544 PolarHBondContact NH2-O 3.36Å |
| 2474 | T | 88.1 | Confident | 74.5 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 177 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | T2446 F2447 S2472 I2476 C2477 C2478 L2545 F2559 | T2446-T2474 WeakPolarHBondContact O-CG2 3.15Å; T2446-T2474 PolarHBondContact O-N 3.3Å; T2446-T2474 PolarHBondContact O-OG1 2.88Å; F2447-T2474 HydrophobicContact CD1-CG2 4.28Å; F2447-T2474 HydrophobicContact CE1-CG2 3.82Å; F2447-T2474 HydrophobicContact CZ-CG2 4Å; S2472-T2474 PolarHBondContact O-N 2.82Å; S2472-T2474 PolarHBondContact OG-OG1 3Å; T2474-I2476 PolarHBondContact O-N 3Å; T2474-C2477 PolarHBondContact O-N 3.25Å; T2474-C2478 PolarHBondContact O-N 3.45Å; T2474-L2545 HydrophobicContact CG2-CD2 3.88Å; T2474-F2559 HydrophobicContact CG2-CD1 3.96Å; T2474-F2559 HydrophobicContact CG2-CD2 3.61Å; T2474-F2559 HydrophobicContact CG2-CE1 4.06Å; T2474-F2559 HydrophobicContact CG2-CE2 3.69Å; T2474-F2559 HydrophobicContact CG2-CG 3.73Å; T2474-F2559 HydrophobicContact CG2-CZ 3.91Å; T2474-F2559 WeakPolarHBondContact O-CE2 3Å |
| 2475 | D | 87.4 | Confident | 76.9 | Confident | 64 Ų | 64 | 37.8 Ų | 37.8 | 34% | 0.342 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 178.6 | -56.5 | -36.3 | 0 | 0 | 0 | 111.3 | L2471 S2472 C2478 L2479 | L2471-D2475 HydrophobicContact CB-CB 4.42Å; L2471-D2475 HydrophobicContact CD2-CB 3.99Å; L2471-D2475 HydrophobicContact CG-CB 4.25Å; S2472-D2475 WeakPolarHBondContact CB-OD2 3.25Å; S2472-D2475 PolarHBondContact N-OD2 2.95Å; S2472-D2475 PolarHBondContact O-N 3.21Å; S2472-D2475 VanDerWaalsContact O-N 3.12Å; S2472-D2475 PolarHBondContact OG-N 2.97Å; S2472-D2475 PolarHBondContact OG-OD1 3.27Å; S2472-D2475 PolarHBondContact OG-OD2 3.41Å; D2475-C2478 PolarHBondContact O-N 2.9Å; D2475-L2479 WeakPolarHBondContact O-CB 3.17Å; D2475-L2479 PolarHBondContact O-N 3.19Å |
| 2476 | I | 89.7 | Confident | 79.1 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 177.4 | -60.4 | 169 | 0 | 0 | 0 | 110.8 | L2345 L2350 L2440 L2471 S2472 R2473 T2474 L2479 L2480 | L2345-I2476 HydrophobicContact CD2-CD1 3.71Å; L2350-I2476 HydrophobicContact CD1-CG1 4.48Å; L2350-I2476 HydrophobicContact CD1-CG2 3.84Å; L2350-I2476 HydrophobicContact CD2-CG2 4.19Å; L2440-I2476 HydrophobicContact CD2-CB 3.94Å; L2440-I2476 HydrophobicContact CD2-CD1 3.78Å; L2440-I2476 HydrophobicContact CD2-CG1 4.47Å; L2440-I2476 HydrophobicContact CD2-CG2 3.84Å; L2471-I2476 HydrophobicContact CB-CD1 4.25Å; L2471-I2476 HydrophobicContact CB-CG1 3.97Å; L2471-I2476 HydrophobicContact CD2-CG1 4.09Å; S2472-I2476 PolarHBondContact O-N 3.39Å; S2472-I2476 VanDerWaalsContact O-N 3.13Å; R2473-I2476 PolarHBondContact O-N 2.99Å; T2474-I2476 PolarHBondContact O-N 3Å; I2476-L2479 PolarHBondContact O-N 2.89Å; I2476-L2480 HydrophobicContact CG2-CD1 4.07Å; I2476-L2480 HydrophobicContact CG2-CG 4.46Å; I2476-L2480 WeakPolarHBondContact O-CG 3.3Å; I2476-L2480 PolarHBondContact O-N 3.33Å |
| 2477 | C | 92.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 174.6 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | R2473 T2474 L2480 A2481 L2540 F2559 F2563 | R2473-C2477 PolarHBondContact O-N 2.81Å; R2473-C2477 PolarHBondContact O-SG 3.32Å; T2474-C2477 PolarHBondContact O-N 3.25Å; C2477-L2480 PolarHBondContact O-N 2.84Å; C2477-A2481 PolarHBondContact O-N 3.38Å; C2477-L2540 HydrophobicContact CB-CD2 4.33Å; C2477-L2540 VanDerWaalsContact SG-CD2 3.53Å; C2477-F2559 HydrophobicContact CB-CE2 4.11Å; C2477-F2559 HydrophobicContact CB-CZ 4.18Å; C2477-F2563 HydrophobicContact CB-CD2 4.08Å; C2477-F2563 HydrophobicContact CB-CE2 4.07Å; C2477-F2563 WeakPolarHBondContact O-CD2 3.48Å; C2477-F2563 WeakPolarHBondContact O-CE2 3.29Å |
| 2478 | C | 91.7 | Very high | 83.3 | Confident | 34 Ų | 34 | 19.8 Ų | 19.8 | 23% | 0.23 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 175.2 | -75.9 | 0 | 0 | 0 | 0 | 112.1 | T2474 D2475 L2480 A2481 F2559 | T2474-C2478 PolarHBondContact O-N 3.45Å; D2475-C2478 PolarHBondContact O-N 2.9Å; C2478-L2480 VanDerWaalsContact C-N 3.31Å; C2478-L2480 PolarHBondContact O-N 2.9Å; C2478-A2481 WeakPolarHBondContact O-CB 3.14Å; C2478-A2481 PolarHBondContact O-N 3.49Å; C2478-F2559 VanDerWaalsContact SG-CD2 3.52Å; C2478-F2559 VanDerWaalsContact SG-CE2 3.58Å |
| 2479 | L | 90.2 | Very high | 85.1 | Confident | 76 Ų | 76 | 19.9 Ų | 19.9 | 40% | 0.398 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -58.2 | -43.5 | 176.5 | -177.8 | 69.9 | 0 | 0 | 0 | 111.5 | L2375 D2475 I2476 P2482 | L2375-L2479 HydrophobicContact CD2-CD1 3.87Å; L2375-L2479 HydrophobicContact CD2-CG 4.21Å; L2375-L2479 WeakPolarHBondContact CD2-O 3.29Å; D2475-L2479 WeakPolarHBondContact O-CB 3.17Å; D2475-L2479 PolarHBondContact O-N 3.19Å; I2476-L2479 PolarHBondContact O-N 2.89Å; L2479-P2482 WeakPolarHBondContact O-CD 3.37Å |
| 2480 | L | 92.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -84.1 | -11.7 | -178.1 | -62.8 | 176.4 | 0 | 0 | 0 | 113.8 | L2350 L2353 V2354 L2436 I2476 C2477 C2478 P2482 M2483 I2484 | L2350-L2480 HydrophobicContact CD2-CD1 3.91Å; L2350-L2480 HydrophobicContact CD2-CD2 4.34Å; L2353-L2480 HydrophobicContact CD2-CD1 4.4Å; V2354-L2480 HydrophobicContact CG2-CD2 3.91Å; L2436-L2480 HydrophobicContact CD2-CD1 3.61Å; I2476-L2480 HydrophobicContact CG2-CD1 4.07Å; I2476-L2480 HydrophobicContact CG2-CG 4.46Å; I2476-L2480 WeakPolarHBondContact O-CG 3.3Å; I2476-L2480 PolarHBondContact O-N 3.33Å; C2477-L2480 PolarHBondContact O-N 2.84Å; C2478-L2480 VanDerWaalsContact C-N 3.31Å; C2478-L2480 PolarHBondContact O-N 2.9Å; L2480-P2482 VanDerWaalsContact C-CD 3.45Å; L2480-M2483 HydrophobicContact CD2-CE 3.94Å; L2480-M2483 PolarHBondContact O-N 3.33Å; L2480-I2484 HydrophobicContact CB-CD1 3.71Å; L2480-I2484 HydrophobicContact CB-CG1 4.33Å; L2480-I2484 VanDerWaalsContact O-CD1 3.28Å; L2480-I2484 WeakPolarHBondContact O-CD1 3.41Å; L2480-I2484 VanDerWaalsContact O-CG1 3.26Å; L2480-I2484 WeakPolarHBondContact O-CG1 3.48Å; L2480-I2484 PolarHBondContact O-N 2.89Å |
| 2481 | A | 93.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -52.9 | -45.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C2477 C2478 M2483 I2484 A2485 F2563 F2567 | C2477-A2481 PolarHBondContact O-N 3.38Å; C2478-A2481 WeakPolarHBondContact O-CB 3.14Å; C2478-A2481 PolarHBondContact O-N 3.49Å; A2481-M2483 PolarHBondContact O-N 3.46Å; A2481-I2484 PolarHBondContact O-N 2.79Å; A2481-A2485 WeakPolarHBondContact O-CB 3.5Å; A2481-A2485 PolarHBondContact O-N 2.94Å; A2481-F2563 HydrophobicContact CB-CD2 3.73Å; A2481-F2563 HydrophobicContact CB-CE2 3.8Å; A2481-F2567 HydrophobicContact CB-CE2 4.17Å |
| 2482 | P | 92.7 | Very high | 87.1 | Confident | 13 Ų | 13 | 16 Ų | 16 | 8% | 0.084 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 179 | -18.2 | 28.6 | 0 | 0 | 0 | 112.4 | S2372 L2479 L2480 I2484 A2485 D2486 | S2372-P2482 PolarHBondContact OG-O 3.43Å; L2479-P2482 WeakPolarHBondContact O-CD 3.37Å; L2480-P2482 VanDerWaalsContact C-CD 3.45Å; P2482-I2484 PolarHBondContact O-N 3.05Å; P2482-A2485 WeakPolarHBondContact O-CB 3.36Å; P2482-A2485 PolarHBondContact O-N 3.43Å; P2482-D2486 PolarHBondContact O-N 3.47Å |
| 2483 | M | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | -179.6 | -175.1 | -171.9 | 74.7 | 0 | 0 | 110.9 | V2354 T2357 S2372 L2375 F2433 L2480 A2481 A2485 D2486 I2487 | V2354-M2483 HydrophobicContact CB-SD 4.13Å; V2354-M2483 HydrophobicContact CG1-SD 4.21Å; V2354-M2483 HydrophobicContact CG2-CE 4.49Å; V2354-M2483 HydrophobicContact CG2-SD 3.91Å; T2357-M2483 VanDerWaalsContact CB-SD 3.54Å; T2357-M2483 HydrophobicContact CG2-CE 4.07Å; T2357-M2483 HydrophobicContact CG2-CG 3.5Å; T2357-M2483 HydrophobicContact CG2-SD 3.54Å; T2357-M2483 VanDerWaalsContact CG2-SD 3.54Å; S2372-M2483 WeakPolarHBondContact OG-CA 3.48Å; S2372-M2483 PolarHBondContact OG-N 3.04Å; L2375-M2483 HydrophobicContact CD1-CB 3.77Å; L2375-M2483 HydrophobicContact CD1-SD 4.48Å; F2433-M2483 HydrophobicContact CE1-CE 4.49Å; F2433-M2483 HydrophobicContact CZ-CE 4.1Å; L2480-M2483 HydrophobicContact CD2-CE 3.94Å; L2480-M2483 PolarHBondContact O-N 3.33Å; A2481-M2483 PolarHBondContact O-N 3.46Å; M2483-A2485 VanDerWaalsContact C-N 3.32Å; M2483-A2485 PolarHBondContact O-N 2.85Å; M2483-D2486 PolarHBondContact O-N 3.18Å; M2483-I2487 HydrophobicContact CE-CD1 4.49Å; M2483-I2487 HydrophobicContact CG-CD1 4.24Å; M2483-I2487 WeakPolarHBondContact O-CB 3.48Å; M2483-I2487 WeakPolarHBondContact O-CD1 3.35Å; M2483-I2487 WeakPolarHBondContact O-CG1 3.15Å; M2483-I2487 PolarHBondContact O-N 3.45Å |
| 2484 | I | 92.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 177.2 | -58.7 | 151.7 | 0 | 0 | 0 | 110.7 | L2480 A2481 P2482 I2487 C2488 Y2536 L2537 L2540 F2567 | L2480-I2484 HydrophobicContact CB-CD1 3.71Å; L2480-I2484 HydrophobicContact CB-CG1 4.33Å; L2480-I2484 VanDerWaalsContact O-CD1 3.28Å; L2480-I2484 WeakPolarHBondContact O-CD1 3.41Å; L2480-I2484 VanDerWaalsContact O-CG1 3.26Å; L2480-I2484 WeakPolarHBondContact O-CG1 3.48Å; L2480-I2484 PolarHBondContact O-N 2.89Å; A2481-I2484 PolarHBondContact O-N 2.79Å; P2482-I2484 PolarHBondContact O-N 3.05Å; I2484-I2487 WeakPolarHBondContact O-CB 3.42Å; I2484-I2487 PolarHBondContact O-N 3.37Å; I2484-C2488 PolarHBondContact O-N 3.03Å; I2484-C2488 PolarHBondContact O-SG 2.84Å; I2484-Y2536 HydrophobicContact CD1-CD1 4.32Å; I2484-Y2536 HydrophobicContact CD1-CE1 3.53Å; I2484-Y2536 HydrophobicContact CG1-CE1 4.1Å; I2484-L2537 HydrophobicContact CG2-CD2 4.02Å; I2484-L2540 HydrophobicContact CD1-CD1 4.42Å; I2484-F2567 HydrophobicContact CB-CZ 3.98Å; I2484-F2567 HydrophobicContact CG2-CE1 4.07Å; I2484-F2567 HydrophobicContact CG2-CZ 3.71Å |
| 2485 | A | 91.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2481 P2482 M2483 I2487 C2488 C2566 F2567 T2575 | A2481-A2485 WeakPolarHBondContact O-CB 3.5Å; A2481-A2485 PolarHBondContact O-N 2.94Å; P2482-A2485 WeakPolarHBondContact O-CB 3.36Å; P2482-A2485 PolarHBondContact O-N 3.43Å; M2483-A2485 VanDerWaalsContact C-N 3.32Å; M2483-A2485 PolarHBondContact O-N 2.85Å; A2485-I2487 VanDerWaalsContact C-N 3.33Å; A2485-I2487 PolarHBondContact O-N 3.41Å; A2485-C2488 WeakPolarHBondContact O-CB 3.26Å; A2485-C2488 PolarHBondContact O-N 3Å; A2485-C2566 HydrophobicContact CB-CB 4.29Å; A2485-F2567 HydrophobicContact CB-CD1 4Å; A2485-F2567 HydrophobicContact CB-CD2 4.32Å; A2485-F2567 HydrophobicContact CB-CE1 4.14Å; A2485-F2567 HydrophobicContact CB-CE2 4.44Å; A2485-F2567 HydrophobicContact CB-CG 4.1Å; A2485-F2567 HydrophobicContact CB-CZ 4.36Å; A2485-T2575 HydrophobicContact CB-CG2 3.79Å; A2485-T2575 WeakPolarHBondContact O-CG2 3.47Å; A2485-T2575 PolarHBondContact O-OG1 2.67Å |
| 2486 | D | 90 | Very high | 85.6 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 175.3 | -71 | -14.9 | 0 | 0 | 0 | 110.9 | L2361 S2369 S2372 P2482 M2483 S2489 H2570 | L2361-D2486 HydrophobicContact CD1-CB 4.21Å; S2369-D2486 WeakPolarHBondContact CB-OD1 3.29Å; S2369-D2486 WeakPolarHBondContact CB-OD2 3.24Å; S2369-D2486 PolarHBondContact N-OD2 3.31Å; S2369-D2486 PolarHBondContact OG-OD1 2.93Å; S2369-D2486 PolarHBondContact OG-OD2 2.94Å; S2372-D2486 WeakPolarHBondContact CB-OD2 3.35Å; S2372-D2486 PolarHBondContact OG-OD2 2.85Å; P2482-D2486 PolarHBondContact O-N 3.47Å; M2483-D2486 PolarHBondContact O-N 3.18Å; D2486-S2489 VanDerWaalsContact O-CB 3.27Å; D2486-S2489 WeakPolarHBondContact O-CB 3.2Å; D2486-S2489 PolarHBondContact O-N 3.32Å; D2486-S2489 PolarHBondContact O-OG 3.17Å; D2486-H2570 IonicContact OD1-CD2 3.22Å; D2486-H2570 IonicContact OD1-NE2 3.78Å; D2486-H2570 PolarHBondContact OD1-NE2 3.3Å |
| 2487 | I | 87.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.2 | -68.3 | 166.5 | 0 | 0 | 0 | 112.5 | T2357 L2361 F2433 M2483 I2484 A2485 S2489 I2490 I2533 | T2357-I2487 HydrophobicContact CG2-CD1 3.21Å; T2357-I2487 HydrophobicContact CG2-CG1 3.55Å; L2361-I2487 HydrophobicContact CD1-CG1 3.96Å; L2361-I2487 HydrophobicContact CG-CG1 4.44Å; F2433-I2487 HydrophobicContact CE2-CD1 4.45Å; F2433-I2487 HydrophobicContact CZ-CD1 3.95Å; M2483-I2487 HydrophobicContact CE-CD1 4.49Å; M2483-I2487 HydrophobicContact CG-CD1 4.24Å; M2483-I2487 WeakPolarHBondContact O-CB 3.48Å; M2483-I2487 WeakPolarHBondContact O-CD1 3.35Å; M2483-I2487 WeakPolarHBondContact O-CG1 3.15Å; M2483-I2487 PolarHBondContact O-N 3.45Å; I2484-I2487 WeakPolarHBondContact O-CB 3.42Å; I2484-I2487 PolarHBondContact O-N 3.37Å; A2485-I2487 VanDerWaalsContact C-N 3.33Å; A2485-I2487 PolarHBondContact O-N 3.41Å; I2487-S2489 PolarHBondContact O-N 3.3Å; I2487-I2490 HydrophobicContact CG2-CD1 4.22Å; I2487-I2490 VanDerWaalsContact O-CB 3.28Å; I2487-I2490 WeakPolarHBondContact O-CB 3.21Å; I2487-I2490 WeakPolarHBondContact O-CG1 3.26Å; I2487-I2490 PolarHBondContact O-N 2.68Å; I2487-I2533 HydrophobicContact CB-CD1 4.39Å; I2487-I2533 HydrophobicContact CG2-CB 4.36Å; I2487-I2533 HydrophobicContact CG2-CD1 2.91Å; I2487-I2533 HydrophobicContact CG2-CG1 3.41Å; I2487-I2533 VanDerWaalsContact CG2-CG1 3.41Å; I2487-I2533 HydrophobicContact CG2-CG2 4.08Å |
| 2488 | C | 87.3 | Confident | 84.3 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.6 | -15.9 | 177.7 | -74.3 | 0 | 0 | 0 | 0 | 113.4 | I2484 A2485 I2490 T2575 I2578 | I2484-C2488 PolarHBondContact O-N 3.03Å; I2484-C2488 PolarHBondContact O-SG 2.84Å; A2485-C2488 WeakPolarHBondContact O-CB 3.26Å; A2485-C2488 PolarHBondContact O-N 3Å; C2488-I2490 PolarHBondContact O-N 3.02Å; C2488-T2575 HydrophobicContact CB-CG2 4.1Å; C2488-I2578 HydrophobicContact CB-CD1 3.78Å |
| 2489 | S | 84.5 | Confident | 83.4 | Confident | 24 Ų | 24 | 22.4 Ų | 22.4 | 17% | 0.168 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -9 | 173.5 | 82.8 | 0 | 0 | 0 | 0 | 113.9 | D2486 I2487 T2575 | D2486-S2489 VanDerWaalsContact O-CB 3.27Å; D2486-S2489 WeakPolarHBondContact O-CB 3.2Å; D2486-S2489 PolarHBondContact O-N 3.32Å; D2486-S2489 PolarHBondContact O-OG 3.17Å; I2487-S2489 PolarHBondContact O-N 3.3Å; S2489-T2575 PolarHBondContact N-OG1 3.44Å |
| 2490 | I | 75.3 | Confident | 82.4 | Confident | 8 Ų | 8 | 20.9 Ų | 20.9 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -84.9 | 134.5 | 178.9 | -51.9 | 170.8 | 0 | 0 | 0 | 110.8 | L2361 K2364 K2366 I2487 C2488 S2493 | L2361-I2490 HydrophobicContact CD2-CD1 3.43Å; L2361-I2490 VanDerWaalsContact CD2-CD1 3.43Å; L2361-I2490 HydrophobicContact CD2-CG1 3.89Å; L2361-I2490 HydrophobicContact CG-CD1 4.42Å; K2364-I2490 HydrophobicContact CD-CD1 4.31Å; K2364-I2490 HydrophobicContact CD-CG2 4.04Å; K2366-I2490 HydrophobicContact CG-CG1 4.44Å; I2487-I2490 HydrophobicContact CG2-CD1 4.22Å; I2487-I2490 VanDerWaalsContact O-CB 3.28Å; I2487-I2490 WeakPolarHBondContact O-CB 3.21Å; I2487-I2490 WeakPolarHBondContact O-CG1 3.26Å; I2487-I2490 PolarHBondContact O-N 2.68Å; C2488-I2490 PolarHBondContact O-N 3.02Å; I2490-S2493 PolarHBondContact O-OG 2.87Å |
| 2491 | G | 70.3 | Confident | 81.3 | Confident | 29 Ų | 29 | 22.3 Ų | 22.3 | 30% | 0.299 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -148.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S2493 | G2491-S2493 VanDerWaalsContact C-N 3.31Å; G2491-S2493 PolarHBondContact O-N 2.92Å |
| 2492 | N | 74.6 | Confident | 79.7 | Confident | 58 Ų | 58 | 29.1 Ų | 29.1 | 31% | 0.31 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 29.9 | -178.9 | -63.2 | -25.8 | 0 | 0 | 0 | 112.8 | Y2494 D2495 Y2496 | N2492-Y2494 PolarHBondContact O-N 3.45Å; N2492-Y2494 VanDerWaalsContact O-N 3.15Å; N2492-D2495 HydrophobicContact CB-CB 4.32Å; N2492-D2495 PolarHBondContact O-N 3.23Å; N2492-Y2496 PolarHBondContact O-N 3.5Å |
| 2493 | S | 77.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.6 | -37.2 | -178.4 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | I2490 G2491 F2497 | I2490-S2493 PolarHBondContact O-OG 2.87Å; G2491-S2493 VanDerWaalsContact C-N 3.31Å; G2491-S2493 PolarHBondContact O-N 2.92Å; S2493-F2497 VanDerWaalsContact O-CB 3.22Å; S2493-F2497 WeakPolarHBondContact O-CB 3.43Å; S2493-F2497 PolarHBondContact O-N 2.96Å |
| 2494 | Y | 82.3 | Confident | 75.6 | Confident | 20 Ų | 20 | 37 Ų | 37 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.4 | 173.7 | -100.6 | 0 | 0 | 0 | 112.6 | N2492 F2497 T2498 W2573 A2577 I2578 L2581 | N2492-Y2494 PolarHBondContact O-N 3.45Å; N2492-Y2494 VanDerWaalsContact O-N 3.15Å; Y2494-F2497 PolarHBondContact O-N 3.35Å; Y2494-T2498 HydrophobicContact CD1-CG2 4.43Å; Y2494-T2498 HydrophobicContact CD2-CG2 4.02Å; Y2494-T2498 HydrophobicContact CE1-CG2 4.08Å; Y2494-T2498 HydrophobicContact CE2-CG2 3.62Å; Y2494-T2498 HydrophobicContact CG-CG2 4.42Å; Y2494-T2498 WeakPolarHBondContact O-CB 3.36Å; Y2494-T2498 VanDerWaalsContact O-CG2 3.25Å; Y2494-T2498 WeakPolarHBondContact O-CG2 3.43Å; Y2494-T2498 PolarHBondContact O-N 2.97Å; Y2494-T2498 PolarHBondContact O-OG1 2.94Å; Y2494-W2573 HydrophobicContact CE1-CH2 4.45Å; Y2494-W2573 HydrophobicContact CE1-CZ3 4.4Å; Y2494-A2577 HydrophobicContact CD2-CB 3.95Å; Y2494-A2577 HydrophobicContact CE2-CB 3.5Å; Y2494-I2578 HydrophobicContact CD2-CG1 4.03Å; Y2494-L2581 HydrophobicContact CE2-CD1 4.14Å |
| 2495 | D | 76.7 | Confident | 73.4 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.5 | -39.6 | -178.8 | -59.6 | -36.3 | 0 | 0 | 0 | 111 | N2492 T2498 T2499 | N2492-D2495 HydrophobicContact CB-CB 4.32Å; N2492-D2495 PolarHBondContact O-N 3.23Å; D2495-T2498 WeakPolarHBondContact CA-OG1 3.33Å; D2495-T2498 PolarHBondContact O-OG1 2.92Å; D2495-T2499 VanDerWaalsContact O-CB 3.31Å; D2495-T2499 WeakPolarHBondContact O-CB 3.43Å; D2495-T2499 PolarHBondContact O-N 3.28Å; D2495-T2499 VanDerWaalsContact O-N 3.08Å; D2495-T2499 PolarHBondContact O-OG1 3.15Å |
| 2496 | Y | 74.2 | Confident | 71.1 | Confident | 107 Ų | 107 | 43.3 Ų | 43.3 | 42% | 0.42 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -48.6 | 175.4 | -168.5 | -78.4 | 0 | 0 | 0 | 111.3 | N2492 T2499 A2500 S2534 | N2492-Y2496 PolarHBondContact O-N 3.5Å; Y2496-T2499 PolarHBondContact O-N 3.39Å; Y2496-A2500 WeakPolarHBondContact O-CB 3.46Å; Y2496-A2500 PolarHBondContact O-N 2.82Å; Y2496-S2534 WeakPolarHBondContact CD1-OG 3.48Å |
| 2497 | F | 79.4 | Confident | 68.5 | Low | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | -178.3 | -175.1 | -120.7 | 0 | 0 | 0 | 112.5 | S2493 Y2494 T2499 A2500 L2501 L2537 I2538 I2578 L2581 L2582 | S2493-F2497 VanDerWaalsContact O-CB 3.22Å; S2493-F2497 WeakPolarHBondContact O-CB 3.43Å; S2493-F2497 PolarHBondContact O-N 2.96Å; Y2494-F2497 PolarHBondContact O-N 3.35Å; F2497-T2499 VanDerWaalsContact C-N 3.35Å; F2497-T2499 PolarHBondContact O-N 3.29Å; F2497-A2500 PolarHBondContact O-N 3Å; F2497-L2501 HydrophobicContact CD1-CD1 4.17Å; F2497-L2501 HydrophobicContact CD2-CG 4.48Å; F2497-L2501 HydrophobicContact CE1-CD1 3.65Å; F2497-L2501 HydrophobicContact CE2-CD1 4.03Å; F2497-L2501 HydrophobicContact CE2-CD2 4.35Å; F2497-L2501 HydrophobicContact CE2-CG 4.14Å; F2497-L2501 HydrophobicContact CZ-CD1 3.57Å; F2497-L2501 HydrophobicContact CZ-CG 4.2Å; F2497-L2501 WeakPolarHBondContact O-CG 3.28Å; F2497-L2501 PolarHBondContact O-N 3.38Å; F2497-L2501 VanDerWaalsContact O-N 3.08Å; F2497-L2537 HydrophobicContact CD2-CB 3.7Å; F2497-L2537 HydrophobicContact CD2-CD1 4.26Å; F2497-L2537 HydrophobicContact CE2-CB 3.51Å; F2497-L2537 HydrophobicContact CG-CB 4.47Å; F2497-L2537 HydrophobicContact CG-CD1 4.28Å; F2497-L2537 HydrophobicContact CZ-CB 4.11Å; F2497-I2538 HydrophobicContact CD2-CG1 4.24Å; F2497-I2538 HydrophobicContact CE2-CG1 4.18Å; F2497-I2578 HydrophobicContact CD1-CG1 4.26Å; F2497-I2578 HydrophobicContact CD1-CG2 4.11Å; F2497-I2578 HydrophobicContact CE1-CG2 4.11Å; F2497-L2581 HydrophobicContact CD1-CD1 4.2Å; F2497-L2581 HydrophobicContact CE1-CB 3.93Å; F2497-L2581 HydrophobicContact CE1-CD1 4.39Å; F2497-L2582 HydrophobicContact CE1-CD2 4.47Å; F2497-L2582 HydrophobicContact CE1-CG 4.46Å; F2497-L2582 HydrophobicContact CZ-CD2 3.91Å; F2497-L2582 HydrophobicContact CZ-CG 4.38Å |
| 2498 | T | 77 | Confident | 66.1 | Low | 6 Ų | 6 | 50.6 Ų | 50.6 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.8 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | Y2494 D2495 L2501 M2503 L2581 | Y2494-T2498 HydrophobicContact CD1-CG2 4.43Å; Y2494-T2498 HydrophobicContact CD2-CG2 4.02Å; Y2494-T2498 HydrophobicContact CE1-CG2 4.08Å; Y2494-T2498 HydrophobicContact CE2-CG2 3.62Å; Y2494-T2498 HydrophobicContact CG-CG2 4.42Å; Y2494-T2498 WeakPolarHBondContact O-CB 3.36Å; Y2494-T2498 VanDerWaalsContact O-CG2 3.25Å; Y2494-T2498 WeakPolarHBondContact O-CG2 3.43Å; Y2494-T2498 PolarHBondContact O-N 2.97Å; Y2494-T2498 PolarHBondContact O-OG1 2.94Å; D2495-T2498 WeakPolarHBondContact CA-OG1 3.33Å; D2495-T2498 PolarHBondContact O-OG1 2.92Å; T2498-L2501 PolarHBondContact O-N 3.27Å; T2498-M2503 WeakPolarHBondContact O-CB 3.21Å; T2498-M2503 PolarHBondContact O-N 3.42Å; T2498-L2581 HydrophobicContact CG2-CD1 3.58Å |
| 2499 | T | 71.9 | Confident | 63.5 | Low | 75 Ų | 75 | 54.5 Ų | 54.5 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 174.8 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | D2495 Y2496 F2497 L2501 N2502 | D2495-T2499 VanDerWaalsContact O-CB 3.31Å; D2495-T2499 WeakPolarHBondContact O-CB 3.43Å; D2495-T2499 PolarHBondContact O-N 3.28Å; D2495-T2499 VanDerWaalsContact O-N 3.08Å; D2495-T2499 PolarHBondContact O-OG1 3.15Å; Y2496-T2499 PolarHBondContact O-N 3.39Å; F2497-T2499 VanDerWaalsContact C-N 3.35Å; F2497-T2499 PolarHBondContact O-N 3.29Å; T2499-L2501 VanDerWaalsContact C-N 3.27Å; T2499-L2501 PolarHBondContact O-N 3.05Å; T2499-N2502 PolarHBondContact O-N 3.05Å |
| 2500 | A | 69.3 | Low | 60.8 | Low | 44 Ų | 44 | 55.5 Ų | 55.5 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.9 | -30.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y2496 F2497 N2502 I2538 | Y2496-A2500 WeakPolarHBondContact O-CB 3.46Å; Y2496-A2500 PolarHBondContact O-N 2.82Å; F2497-A2500 PolarHBondContact O-N 3Å; A2500-N2502 PolarHBondContact O-N 3.49Å; A2500-I2538 HydrophobicContact CB-CD1 3.63Å; A2500-I2538 HydrophobicContact CB-CG1 4.16Å |
| 2501 | L | 69 | Low | 58.7 | Low | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 4.4 | 174 | -67.1 | -178.6 | 0 | 0 | 0 | 113.8 | F2497 T2498 T2499 M2503 L2581 N2585 | F2497-L2501 HydrophobicContact CD1-CD1 4.17Å; F2497-L2501 HydrophobicContact CD2-CG 4.48Å; F2497-L2501 HydrophobicContact CE1-CD1 3.65Å; F2497-L2501 HydrophobicContact CE2-CD1 4.03Å; F2497-L2501 HydrophobicContact CE2-CD2 4.35Å; F2497-L2501 HydrophobicContact CE2-CG 4.14Å; F2497-L2501 HydrophobicContact CZ-CD1 3.57Å; F2497-L2501 HydrophobicContact CZ-CG 4.2Å; F2497-L2501 WeakPolarHBondContact O-CG 3.28Å; F2497-L2501 PolarHBondContact O-N 3.38Å; F2497-L2501 VanDerWaalsContact O-N 3.08Å; T2498-L2501 PolarHBondContact O-N 3.27Å; T2499-L2501 VanDerWaalsContact C-N 3.27Å; T2499-L2501 PolarHBondContact O-N 3.05Å; L2501-M2503 HydrophobicContact CB-CB 4.34Å; L2501-M2503 HydrophobicContact CB-CG 3.62Å; L2501-M2503 WeakPolarHBondContact O-CG 3.31Å; L2501-M2503 PolarHBondContact O-N 3.44Å; L2501-L2581 HydrophobicContact CD1-CB 4.44Å; L2501-N2585 WeakPolarHBondContact CD1-ND2 3.39Å; L2501-N2585 WeakPolarHBondContact CD2-ND2 3.5Å |
| 2502 | N | 59.5 | Low | 56.5 | Low | 144 Ų | 144 | 67 Ų | 67 | 77% | 0.77 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 27.8 | -171.1 | -78.9 | -31.6 | 0 | 0 | 0 | 113.8 | T2499 A2500 K2504 | T2499-N2502 PolarHBondContact O-N 3.05Å; A2500-N2502 PolarHBondContact O-N 3.49Å; N2502-K2504 PolarHBondContact O-N 2.81Å |
| 2503 | M | 54 | Low | 54.4 | Low | 21 Ų | 21 | 64.9 Ų | 64.9 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | trans | -93.6 | 51.6 | -171.5 | -68.8 | -74.7 | -106.2 | 0 | 0 | 112.6 | T2498 L2501 I2505 F2506 L2581 I2647 | T2498-M2503 WeakPolarHBondContact O-CB 3.21Å; T2498-M2503 PolarHBondContact O-N 3.42Å; L2501-M2503 HydrophobicContact CB-CB 4.34Å; L2501-M2503 HydrophobicContact CB-CG 3.62Å; L2501-M2503 WeakPolarHBondContact O-CG 3.31Å; L2501-M2503 PolarHBondContact O-N 3.44Å; M2503-I2505 PolarHBondContact O-N 3.4Å; M2503-F2506 HydrophobicContact CB-CD2 3.91Å; M2503-F2506 HydrophobicContact CB-CE2 4.22Å; M2503-F2506 HydrophobicContact CE-CE2 3.6Å; M2503-F2506 HydrophobicContact CE-CZ 4.3Å; M2503-F2506 PolarHBondContact O-N 3.27Å; M2503-F2506 HydrophobicContact SD-CE2 4.16Å; M2503-L2581 HydrophobicContact CE-CD2 4.14Å; M2503-I2647 HydrophobicContact CE-CD1 4.37Å | ||
| 2504 | K | 44.7 | Very low | 52.1 | Low | 158 Ų | 158 | 73 Ų | 73 | 69% | 0.687 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -57.8 | -18.8 | -178.6 | -73.9 | -174.4 | 178.8 | 178.4 | 0 | 114.5 | N2502 F2506 H2507 | N2502-K2504 PolarHBondContact O-N 2.81Å; K2504-F2506 PolarHBondContact O-N 2.87Å; K2504-H2507 WeakPolarHBondContact O-CB 3.46Å; K2504-H2507 PolarHBondContact O-N 3.31Å; K2504-H2507 VanDerWaalsContact O-N 3.09Å |
| 2505 | I | 46.1 | Very low | 49.5 | Very low | 115 Ų | 115 | 82 Ų | 82 | 59% | 0.59 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -60 | -33.8 | 179.3 | -65.1 | 170.2 | 0 | 0 | 0 | 111.7 | M2503 H2507 F2643 | M2503-I2505 PolarHBondContact O-N 3.4Å; I2505-H2507 VanDerWaalsContact C-N 3.32Å; I2505-H2507 PolarHBondContact O-N 3.18Å; I2505-F2643 HydrophobicContact CG2-CE1 4.4Å; I2505-F2643 HydrophobicContact CG2-CZ 4.42Å |
| 2506 | F | 42.2 | Very low | 47.1 | Very low | 19 Ų | 19 | 86.5 Ų | 86.5 | 8% | 0.083 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -78.4 | -15.5 | 178.4 | -60.4 | -85.2 | 0 | 0 | 0 | 113.7 | M2503 K2504 L2581 V2640 F2643 | M2503-F2506 HydrophobicContact CB-CD2 3.91Å; M2503-F2506 HydrophobicContact CB-CE2 4.22Å; M2503-F2506 HydrophobicContact CE-CE2 3.6Å; M2503-F2506 HydrophobicContact CE-CZ 4.3Å; M2503-F2506 PolarHBondContact O-N 3.27Å; M2503-F2506 HydrophobicContact SD-CE2 4.16Å; K2504-F2506 PolarHBondContact O-N 2.87Å; F2506-L2581 HydrophobicContact CE2-CD2 4.21Å; F2506-L2581 HydrophobicContact CZ-CD2 4.32Å; F2506-V2640 HydrophobicContact CD1-CG2 3.84Å; F2506-V2640 HydrophobicContact CE1-CB 4.3Å; F2506-V2640 HydrophobicContact CE1-CG1 4.16Å; F2506-V2640 HydrophobicContact CE1-CG2 4.12Å; F2506-F2643 HydrophobicContact CD1-CD2 4.08Å; F2506-F2643 HydrophobicContact CE1-CB 3.57Å; F2506-F2643 AromaticContact CE1-CD2 3.52Å; F2506-F2643 HydrophobicContact CE1-CD2 3.52Å; F2506-F2643 AromaticContact CE1-CG 3.84Å; F2506-F2643 HydrophobicContact CE1-CG 3.84Å; F2506-F2643 HydrophobicContact CZ-CB 3.55Å; F2506-F2643 HydrophobicContact CZ-CD2 4.21Å; F2506-F2643 HydrophobicContact CZ-CG 4.09Å |
| 2507 | H | 36.6 | Very low | 45.1 | Very low | 51 Ų | 51 | 85.1 Ų | 85.1 | 24% | 0.236 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -70.8 | -35.5 | -178.8 | -127.2 | -49.6 | 0 | 0 | 0 | 111.9 | K2504 I2505 N2509 S2510 S2513 | K2504-H2507 WeakPolarHBondContact O-CB 3.46Å; K2504-H2507 PolarHBondContact O-N 3.31Å; K2504-H2507 VanDerWaalsContact O-N 3.09Å; I2505-H2507 VanDerWaalsContact C-N 3.32Å; I2505-H2507 PolarHBondContact O-N 3.18Å; H2507-N2509 PolarHBondContact O-N 3.34Å; H2507-S2510 PolarHBondContact O-N 2.91Å; H2507-S2510 PolarHBondContact O-OG 3.47Å; H2507-S2513 PolarHBondContact ND1-OG 3.49Å |
| 2508 | N | 35.9 | Very low | 42.7 | Very low | 108 Ų | 108 | 95.5 Ų | 95.5 | 58% | 0.578 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -69.4 | -16.9 | -174.4 | -83.5 | -25.2 | 0 | 0 | 0 | 114.2 | K2514 | N2508-K2514 PolarHBondContact OD1-NZ 3.08Š|
| 2509 | N | 32.2 | Very low | 40.5 | Very low | 82 Ų | 82 | 99.3 Ų | 99.3 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -88 | -9.3 | 176.7 | -71.8 | -2.1 | 0 | 0 | 0 | 113.5 | H2507 Q2639 | H2507-N2509 PolarHBondContact O-N 3.34Å; N2509-Q2639 PolarHBondContact ND2-OE1 3.28Å |
| 2510 | S | 28.4 | Very low | 38.5 | Very low | 45 Ų | 45 | 103.8 Ų | 103.8 | 32% | 0.315 | 53% | 0.528 | S | S | . | . | trans | -94.9 | 92.7 | 169.2 | 68.7 | 0 | 0 | 0 | 0 | 109.8 | H2507 L2512 S2513 | H2507-S2510 PolarHBondContact O-N 2.91Å; H2507-S2510 PolarHBondContact O-OG 3.47Å; S2510-L2512 PolarHBondContact O-N 3.05Å; S2510-S2513 PolarHBondContact O-N 2.97Å; S2510-S2513 PolarHBondContact O-OG 3.31Å; S2510-S2513 PolarHBondContact OG-OG 2.89Å | ||
| 2511 | S | 31 | Very low | 36.7 | Very low | 120 Ų | 120 | 104 Ų | 104 | 84% | 0.839 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -2.5 | 173.3 | 48.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 2512 | L | 25.1 | Very low | 35 | Very low | 158 Ų | 158 | 106.6 Ų | 106.6 | 83% | 0.827 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -4.3 | -177.5 | -84.4 | 156.6 | 0 | 0 | 0 | 115.7 | S2510 | S2510-L2512 PolarHBondContact O-N 3.05Š|
| 2513 | S | 28.9 | Very low | 34 | Very low | 15 Ų | 15 | 106.8 Ų | 106.8 | 11% | 0.105 | 54% | 0.538 | C | S | . | . | S | Bend | trans | -104.7 | -16.8 | -171.9 | 55.2 | 0 | 0 | 0 | 0 | 116.1 | H2507 S2510 K2515 I2517 | H2507-S2513 PolarHBondContact ND1-OG 3.49Å; S2510-S2513 PolarHBondContact O-N 2.97Å; S2510-S2513 PolarHBondContact O-OG 3.31Å; S2510-S2513 PolarHBondContact OG-OG 2.89Å; S2513-K2515 PolarHBondContact O-N 3.43Å; S2513-I2517 WeakPolarHBondContact O-CD1 3.21Å; S2513-I2517 VanDerWaalsContact O-CG1 3.31Å; S2513-I2517 WeakPolarHBondContact O-CG1 3.42Å |
| 2514 | K | 28.8 | Very low | 33.4 | Very low | 169 Ų | 169 | 109.3 Ų | 109.3 | 74% | 0.735 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -12.1 | -171.6 | -80.3 | -176.5 | -178.7 | 171.1 | 0 | 116.6 | N2508 | N2508-K2514 PolarHBondContact OD1-NZ 3.08Š|
| 2515 | K | 27.8 | Very low | 33.2 | Very low | 211 Ų | 211 | 107 Ų | 107 | 92% | 0.917 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | -5.9 | -172.9 | -92.8 | -175.7 | 175.4 | -179.2 | 0 | 117.3 | S2513 | S2513-K2515 PolarHBondContact O-N 3.43Š|
| 2516 | Q | 27.4 | Very low | 33.2 | Very low | 137 Ų | 137 | 106 Ų | 106 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | -1.1 | -177.2 | -83.5 | 176.4 | -12.3 | 0 | 0 | 115.6 | Y2518 | Q2516-Y2518 PolarHBondContact O-N 3.49Š|
| 2517 | I | 31.7 | Very low | 33.9 | Very low | 78 Ų | 78 | 106.1 Ų | 106.1 | 40% | 0.4 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -26.2 | -169.1 | -70.8 | 176.3 | 0 | 0 | 0 | 114.5 | S2513 L2521 | S2513-I2517 WeakPolarHBondContact O-CD1 3.21Å; S2513-I2517 VanDerWaalsContact O-CG1 3.31Å; S2513-I2517 WeakPolarHBondContact O-CG1 3.42Å; I2517-L2521 HydrophobicContact CB-CD1 4.4Å; I2517-L2521 HydrophobicContact CG2-CD1 3.99Å; I2517-L2521 WeakPolarHBondContact O-CD1 2.98Å |
| 2518 | Y | 29.3 | Very low | 35.2 | Very low | 217 Ų | 217 | 104 Ų | 104 | 85% | 0.851 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -19.6 | -177.4 | -74.9 | -72.5 | 0 | 0 | 0 | 115.3 | Q2516 | Q2516-Y2518 PolarHBondContact O-N 3.49Š|
| 2519 | A | 30.1 | Very low | 37.1 | Very low | 86 Ų | 86 | 99 Ų | 99 | 71% | 0.711 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -17.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 2520 | K | 30 | Very low | 39.1 | Very low | 170 Ų | 170 | 95.8 Ų | 95.8 | 74% | 0.739 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -115.8 | 3.2 | -175.8 | -111.4 | -178 | 179.7 | -177.4 | 0 | 114.9 | ||
| 2521 | L | 31.2 | Very low | 41.1 | Very low | 47 Ų | 47 | 95.1 Ų | 95.1 | 25% | 0.246 | 48% | 0.482 | C | S | . | . | trans | -89.9 | 1.4 | -178.9 | -114 | 126.6 | 0 | 0 | 0 | 113.3 | I2517 D2523 D2524 K2525 | I2517-L2521 HydrophobicContact CB-CD1 4.4Å; I2517-L2521 HydrophobicContact CG2-CD1 3.99Å; I2517-L2521 WeakPolarHBondContact O-CD1 2.98Å; L2521-D2523 VanDerWaalsContact C-N 3.32Å; L2521-D2523 PolarHBondContact O-N 3.44Å; L2521-D2524 PolarHBondContact O-N 3.25Å; L2521-K2525 HydrophobicContact CB-CG 4.34Å; L2521-K2525 HydrophobicContact CD2-CG 4.12Å; L2521-K2525 WeakPolarHBondContact O-CA 3.39Å; L2521-K2525 WeakPolarHBondContact O-CB 3.42Å; L2521-K2525 WeakPolarHBondContact O-CG 3.37Å; L2521-K2525 PolarHBondContact O-N 3.02Å | ||
| 2522 | D | 35.2 | Very low | 43 | Very low | 88 Ų | 88 | 89.4 Ų | 89.4 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -27.5 | -175.9 | -68 | -25 | 0 | 0 | 0 | 113.1 | R2087 K2525 | R2087-D2522 PolarHBondContact NH2-O 3.36Å; D2522-K2525 IonicContact OD1-NZ 3.97Å; D2522-K2525 PolarHBondContact OD1-NZ 3.32Å |
| 2523 | D | 38.3 | Very low | 45.7 | Very low | 148 Ų | 148 | 82 Ų | 82 | 79% | 0.791 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -39.4 | 171.1 | -73.9 | -23 | 0 | 0 | 0 | 112.6 | L2521 | L2521-D2523 VanDerWaalsContact C-N 3.32Å; L2521-D2523 PolarHBondContact O-N 3.44Å |
| 2524 | D | 41.3 | Very low | 48.1 | Very low | 74 Ų | 74 | 81.2 Ų | 81.2 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -84.9 | -16 | -177 | -87.1 | -16.7 | 0 | 0 | 0 | 114 | L2521 N2526 D2527 | L2521-D2524 PolarHBondContact O-N 3.25Å; D2524-N2526 PolarHBondContact O-N 3.25Å; D2524-D2527 PolarHBondContact O-N 2.93Å |
| 2525 | K | 40.3 | Very low | 50.5 | Low | 109 Ų | 109 | 74.4 Ų | 74.4 | 47% | 0.474 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -57.9 | -22.8 | -171.6 | -106.6 | 174.2 | -168.4 | 161.1 | 0 | 114.3 | L2521 D2522 | L2521-K2525 HydrophobicContact CB-CG 4.34Å; L2521-K2525 HydrophobicContact CD2-CG 4.12Å; L2521-K2525 WeakPolarHBondContact O-CA 3.39Å; L2521-K2525 WeakPolarHBondContact O-CB 3.42Å; L2521-K2525 WeakPolarHBondContact O-CG 3.37Å; L2521-K2525 PolarHBondContact O-N 3.02Å; D2522-K2525 IonicContact OD1-NZ 3.97Å; D2522-K2525 PolarHBondContact OD1-NZ 3.32Å |
| 2526 | N | 45.5 | Very low | 53.3 | Low | 94 Ų | 94 | 64.4 Ų | 64.4 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -135.8 | 33.3 | -174.1 | -78.9 | -22.3 | 0 | 0 | 0 | 112.6 | R2087 D2524 G2528 | R2087-N2526 HydrophobicContact CG-CB 3.85Å; D2524-N2526 PolarHBondContact O-N 3.25Å; N2526-G2528 PolarHBondContact O-N 3.28Å |
| 2527 | D | 57.5 | Low | 56.3 | Low | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | trans | -65.9 | 95.1 | 159.9 | -171.3 | 12.4 | 0 | 0 | 0 | 107.5 | K2364 S2426 D2524 L2529 I2530 C2531 | K2364-D2527 IonicContact NZ-OD1 2.95Å; K2364-D2527 IonicContact NZ-OD2 3.97Å; K2364-D2527 PolarHBondContact NZ-OD2 2.89Å; S2426-D2527 PolarHBondContact OG-OD1 3.45Å; D2524-D2527 PolarHBondContact O-N 2.93Å; D2527-L2529 CarbonylContact O-C 3.49Å; D2527-L2529 PolarHBondContact O-N 2.96Å; D2527-L2529 WeakPolarHBondContact OD1-CB 3.21Å; D2527-L2529 PolarHBondContact OD1-N 3.42Å; D2527-I2530 HydrophobicContact CB-CB 4.28Å; D2527-I2530 HydrophobicContact CB-CD1 3.92Å; D2527-I2530 HydrophobicContact CB-CG1 3.99Å; D2527-I2530 PolarHBondContact O-N 3.32Å; D2527-I2530 WeakPolarHBondContact OD2-CG1 3.25Å; D2527-C2531 PolarHBondContact O-N 3.08Å | ||
| 2528 | G | 64.2 | Low | 58.8 | Low | 8 Ų | 8 | 57.2 Ų | 57.2 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -48.3 | -34 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y2430 N2526 I2530 C2531 A2532 | Y2430-G2528 VanDerWaalsContact CD2-O 3.24Å; Y2430-G2528 WeakPolarHBondContact CD2-O 3.47Å; N2526-G2528 PolarHBondContact O-N 3.28Å; G2528-I2530 PolarHBondContact O-N 3.22Å; G2528-C2531 PolarHBondContact O-N 3.02Å; G2528-A2532 VanDerWaalsContact O-CB 3.31Å; G2528-A2532 WeakPolarHBondContact O-CB 3.35Å; G2528-A2532 PolarHBondContact O-N 2.98Å |
| 2529 | L | 74.2 | Confident | 61.6 | Low | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.2 | -51.9 | 173.8 | -177.9 | 56.4 | 0 | 0 | 0 | 112.7 | V2360 S2426 L2429 F2433 D2527 C2531 A2532 I2533 | V2360-L2529 HydrophobicContact CB-CD2 4.3Å; V2360-L2529 HydrophobicContact CG1-CD2 3.52Å; S2426-L2529 WeakPolarHBondContact OG-CB 3.22Å; L2429-L2529 HydrophobicContact CB-CD1 3.86Å; L2429-L2529 HydrophobicContact CD1-CD1 3.78Å; L2429-L2529 HydrophobicContact CD1-CD2 4.2Å; L2429-L2529 HydrophobicContact CG-CD1 4.46Å; F2433-L2529 HydrophobicContact CD2-CD1 4.48Å; F2433-L2529 HydrophobicContact CE2-CD1 4.2Å; D2527-L2529 CarbonylContact O-C 3.49Å; D2527-L2529 PolarHBondContact O-N 2.96Å; D2527-L2529 WeakPolarHBondContact OD1-CB 3.21Å; D2527-L2529 PolarHBondContact OD1-N 3.42Å; L2529-C2531 VanDerWaalsContact C-N 3.31Å; L2529-C2531 PolarHBondContact O-N 2.75Å; L2529-A2532 WeakPolarHBondContact O-CB 3.43Å; L2529-A2532 PolarHBondContact O-N 3.15Å; L2529-A2532 VanDerWaalsContact O-N 3.09Å; L2529-I2533 HydrophobicContact CD1-CD1 3.78Å; L2529-I2533 HydrophobicContact CD1-CG1 4Å; L2529-I2533 HydrophobicContact CG-CD1 3.61Å; L2529-I2533 HydrophobicContact CG-CG1 4.37Å; L2529-I2533 WeakPolarHBondContact O-CD1 3.37Å; L2529-I2533 WeakPolarHBondContact O-CG1 3.28Å; L2529-I2533 PolarHBondContact O-N 3.1Å |
| 2530 | I | 74.6 | Confident | 64.5 | Low | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.7 | -43.6 | 178.4 | -65.8 | 174.2 | 0 | 0 | 0 | 111.2 | D2527 G2528 A2532 I2533 S2534 | D2527-I2530 HydrophobicContact CB-CB 4.28Å; D2527-I2530 HydrophobicContact CB-CD1 3.92Å; D2527-I2530 HydrophobicContact CB-CG1 3.99Å; D2527-I2530 PolarHBondContact O-N 3.32Å; D2527-I2530 WeakPolarHBondContact OD2-CG1 3.25Å; G2528-I2530 PolarHBondContact O-N 3.22Å; I2530-A2532 VanDerWaalsContact C-N 3.33Å; I2530-A2532 PolarHBondContact O-N 3.49Å; I2530-I2533 PolarHBondContact O-N 2.97Å; I2530-S2534 VanDerWaalsContact O-CB 3.25Å; I2530-S2534 WeakPolarHBondContact O-CB 3.2Å; I2530-S2534 PolarHBondContact O-N 3.24Å; I2530-S2534 PolarHBondContact O-OG 3.09Å |
| 2531 | C | 70.8 | Confident | 67.3 | Low | 30 Ų | 30 | 36.1 Ų | 36.1 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.5 | -72.5 | 0 | 0 | 0 | 0 | 112 | Y2430 D2527 G2528 L2529 S2535 | Y2430-C2531 HydrophobicContact CD2-CB 4.46Å; Y2430-C2531 HydrophobicContact CE2-CB 4.12Å; D2527-C2531 PolarHBondContact O-N 3.08Å; G2528-C2531 PolarHBondContact O-N 3.02Å; L2529-C2531 VanDerWaalsContact C-N 3.31Å; L2529-C2531 PolarHBondContact O-N 2.75Å; C2531-S2535 VanDerWaalsContact O-CB 3.25Å; C2531-S2535 WeakPolarHBondContact O-CB 3.28Å; C2531-S2535 PolarHBondContact O-N 3.38Å; C2531-S2535 PolarHBondContact O-OG 3.34Å |
| 2532 | A | 71.6 | Confident | 69.9 | Low | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y2430 F2433 G2528 L2529 I2530 S2535 Y2536 | Y2430-A2532 HydrophobicContact CD2-CB 3.77Å; Y2430-A2532 HydrophobicContact CE2-CB 4.47Å; Y2430-A2532 HydrophobicContact CG-CB 4.1Å; F2433-A2532 HydrophobicContact CB-CB 4.08Å; F2433-A2532 HydrophobicContact CD2-CB 4.48Å; G2528-A2532 VanDerWaalsContact O-CB 3.31Å; G2528-A2532 WeakPolarHBondContact O-CB 3.35Å; G2528-A2532 PolarHBondContact O-N 2.98Å; L2529-A2532 WeakPolarHBondContact O-CB 3.43Å; L2529-A2532 PolarHBondContact O-N 3.15Å; L2529-A2532 VanDerWaalsContact O-N 3.09Å; I2530-A2532 VanDerWaalsContact C-N 3.33Å; I2530-A2532 PolarHBondContact O-N 3.49Å; A2532-S2535 WeakPolarHBondContact O-CB 3.32Å; A2532-S2535 PolarHBondContact O-N 3.25Å; A2532-Y2536 WeakPolarHBondContact O-CB 3.28Å; A2532-Y2536 PolarHBondContact O-N 2.99Å |
| 2533 | I | 82 | Confident | 72.4 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 175.8 | -63 | 148.9 | 0 | 0 | 0 | 109.7 | I2487 L2529 I2530 S2535 Y2536 L2537 | I2487-I2533 HydrophobicContact CB-CD1 4.39Å; I2487-I2533 HydrophobicContact CG2-CB 4.36Å; I2487-I2533 HydrophobicContact CG2-CD1 2.91Å; I2487-I2533 HydrophobicContact CG2-CG1 3.41Å; I2487-I2533 VanDerWaalsContact CG2-CG1 3.41Å; I2487-I2533 HydrophobicContact CG2-CG2 4.08Å; L2529-I2533 HydrophobicContact CD1-CD1 3.78Å; L2529-I2533 HydrophobicContact CD1-CG1 4Å; L2529-I2533 HydrophobicContact CG-CD1 3.61Å; L2529-I2533 HydrophobicContact CG-CG1 4.37Å; L2529-I2533 WeakPolarHBondContact O-CD1 3.37Å; L2529-I2533 WeakPolarHBondContact O-CG1 3.28Å; L2529-I2533 PolarHBondContact O-N 3.1Å; I2530-I2533 PolarHBondContact O-N 2.97Å; I2533-S2535 VanDerWaalsContact C-N 3.3Å; I2533-S2535 PolarHBondContact O-N 2.59Å; I2533-Y2536 CarbonylContact O-C 3.54Å; I2533-Y2536 WeakPolarHBondContact O-CA 3.2Å; I2533-Y2536 WeakPolarHBondContact O-CB 3.25Å; I2533-Y2536 PolarHBondContact O-N 3.01Å; I2533-L2537 HydrophobicContact CG2-CD1 3.91Å; I2533-L2537 HydrophobicContact CG2-CG 4.12Å; I2533-L2537 WeakPolarHBondContact O-CG 3.38Å; I2533-L2537 PolarHBondContact O-N 2.8Å |
| 2534 | S | 79.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | -179.9 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | Y2496 I2530 Y2536 L2537 I2538 | Y2496-S2534 WeakPolarHBondContact CD1-OG 3.48Å; I2530-S2534 VanDerWaalsContact O-CB 3.25Å; I2530-S2534 WeakPolarHBondContact O-CB 3.2Å; I2530-S2534 PolarHBondContact O-N 3.24Å; I2530-S2534 PolarHBondContact O-OG 3.09Å; S2534-Y2536 VanDerWaalsContact C-N 3.28Å; S2534-Y2536 PolarHBondContact O-N 2.9Å; S2534-L2537 PolarHBondContact O-N 3.42Å; S2534-I2538 WeakPolarHBondContact O-CD1 3.46Å; S2534-I2538 WeakPolarHBondContact O-CG1 3.47Å; S2534-I2538 PolarHBondContact O-N 3.37Å |
| 2535 | S | 77.5 | Confident | 76.7 | Confident | 26 Ų | 26 | 24.2 Ų | 24.2 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.4 | -36.7 | 173.7 | -65.2 | 0 | 0 | 0 | 0 | 112.9 | C2531 A2532 I2533 Y2539 | C2531-S2535 VanDerWaalsContact O-CB 3.25Å; C2531-S2535 WeakPolarHBondContact O-CB 3.28Å; C2531-S2535 PolarHBondContact O-N 3.38Å; C2531-S2535 PolarHBondContact O-OG 3.34Å; A2532-S2535 WeakPolarHBondContact O-CB 3.32Å; A2532-S2535 PolarHBondContact O-N 3.25Å; I2533-S2535 VanDerWaalsContact C-N 3.3Å; I2533-S2535 PolarHBondContact O-N 2.59Å; S2535-Y2539 PolarHBondContact O-N 3.48Å |
| 2536 | Y | 87.6 | Confident | 78.1 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73.1 | -40.1 | 175.9 | -173.9 | -115 | 0 | 0 | 0 | 112.6 | F2433 L2436 R2437 L2440 I2484 A2532 I2533 S2534 Y2539 L2540 | F2433-Y2536 HydrophobicContact CD1-CD1 4.2Å; F2433-Y2536 HydrophobicContact CD1-CG 4.15Å; F2433-Y2536 HydrophobicContact CE1-CD1 4.34Å; L2436-Y2536 HydrophobicContact CD2-CD2 4.49Å; L2436-Y2536 HydrophobicContact CD2-CE2 3.74Å; L2436-Y2536 HydrophobicContact CG-CE2 4.08Å; R2437-Y2536 HydrophobicContact CG-CD2 3.66Å; R2437-Y2536 HydrophobicContact CG-CE2 4.37Å; L2440-Y2536 HydrophobicContact CD1-CE2 4.12Å; I2484-Y2536 HydrophobicContact CD1-CD1 4.32Å; I2484-Y2536 HydrophobicContact CD1-CE1 3.53Å; I2484-Y2536 HydrophobicContact CG1-CE1 4.1Å; A2532-Y2536 WeakPolarHBondContact O-CB 3.28Å; A2532-Y2536 PolarHBondContact O-N 2.99Å; I2533-Y2536 CarbonylContact O-C 3.54Å; I2533-Y2536 WeakPolarHBondContact O-CA 3.2Å; I2533-Y2536 WeakPolarHBondContact O-CB 3.25Å; I2533-Y2536 PolarHBondContact O-N 3.01Å; S2534-Y2536 VanDerWaalsContact C-N 3.28Å; S2534-Y2536 PolarHBondContact O-N 2.9Å; Y2536-Y2539 AromaticContact CD2-CD1 3.83Å; Y2536-Y2539 HydrophobicContact CD2-CD1 3.83Å; Y2536-Y2539 HydrophobicContact CD2-CE1 4.48Å; Y2536-Y2539 AromaticContact CE2-CD1 3.74Å; Y2536-Y2539 HydrophobicContact CE2-CD1 3.74Å; Y2536-Y2539 AromaticContact CE2-CE1 3.95Å; Y2536-Y2539 HydrophobicContact CE2-CE1 3.95Å; Y2536-Y2539 WeakPolarHBondContact O-CB 3.48Å; Y2536-Y2539 PolarHBondContact O-N 2.91Å; Y2536-L2540 HydrophobicContact CD1-CD1 3.68Å; Y2536-L2540 HydrophobicContact CD1-CG 4.31Å; Y2536-L2540 HydrophobicContact CE1-CD1 3.41Å; Y2536-L2540 VanDerWaalsContact CE1-CD1 3.41Å; Y2536-L2540 HydrophobicContact CE1-CD2 4.34Å; Y2536-L2540 HydrophobicContact CE1-CG 4Å; Y2536-L2540 HydrophobicContact CE2-CG 4.45Å; Y2536-L2540 HydrophobicContact CG-CD1 4.44Å; Y2536-L2540 WeakPolarHBondContact O-CG 3.36Å; Y2536-L2540 PolarHBondContact O-N 3.19Å |
| 2537 | L | 89.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 173.9 | -70.5 | 173.3 | 0 | 0 | 0 | 111.5 | I2484 F2497 I2533 S2534 Y2539 L2540 S2541 F2567 I2578 L2582 | I2484-L2537 HydrophobicContact CG2-CD2 4.02Å; F2497-L2537 HydrophobicContact CD2-CB 3.7Å; F2497-L2537 HydrophobicContact CD2-CD1 4.26Å; F2497-L2537 HydrophobicContact CE2-CB 3.51Å; F2497-L2537 HydrophobicContact CG-CB 4.47Å; F2497-L2537 HydrophobicContact CG-CD1 4.28Å; F2497-L2537 HydrophobicContact CZ-CB 4.11Å; I2533-L2537 HydrophobicContact CG2-CD1 3.91Å; I2533-L2537 HydrophobicContact CG2-CG 4.12Å; I2533-L2537 WeakPolarHBondContact O-CG 3.38Å; I2533-L2537 PolarHBondContact O-N 2.8Å; S2534-L2537 PolarHBondContact O-N 3.42Å; L2537-Y2539 VanDerWaalsContact C-N 3.32Å; L2537-Y2539 PolarHBondContact O-N 2.8Å; L2537-L2540 HydrophobicContact CD2-CD1 4.46Å; L2537-L2540 PolarHBondContact O-N 3.47Å; L2537-S2541 VanDerWaalsContact O-CB 3.3Å; L2537-S2541 WeakPolarHBondContact O-CB 3.49Å; L2537-S2541 PolarHBondContact O-N 3.04Å; L2537-F2567 HydrophobicContact CD2-CE1 4.5Å; L2537-I2578 HydrophobicContact CD1-CG2 4.17Å; L2537-I2578 HydrophobicContact CD2-CG2 4.21Å; L2537-L2582 HydrophobicContact CD2-CD1 4.11Å |
| 2538 | I | 86 | Confident | 78.8 | Confident | 63 Ų | 63 | 20.6 Ų | 20.6 | 32% | 0.323 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 174 | -69.1 | 161.7 | 0 | 0 | 0 | 109.6 | F2497 A2500 S2534 S2541 A2542 | F2497-I2538 HydrophobicContact CD2-CG1 4.24Å; F2497-I2538 HydrophobicContact CE2-CG1 4.18Å; A2500-I2538 HydrophobicContact CB-CD1 3.63Å; A2500-I2538 HydrophobicContact CB-CG1 4.16Å; S2534-I2538 WeakPolarHBondContact O-CD1 3.46Å; S2534-I2538 WeakPolarHBondContact O-CG1 3.47Å; S2534-I2538 PolarHBondContact O-N 3.37Å; I2538-S2541 PolarHBondContact O-N 3.33Å; I2538-S2541 PolarHBondContact O-OG 3.26Å; I2538-A2542 PolarHBondContact O-N 3.33Å |
| 2539 | Y | 87.1 | Confident | 78.1 | Confident | 26 Ų | 26 | 23.8 Ų | 23.8 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.8 | -50 | 174.6 | 160.4 | -107.6 | 0 | 0 | 0 | 112.4 | R2437 L2440 N2441 R2473 S2535 Y2536 L2537 S2541 A2542 L2543 | R2437-Y2539 HydrophobicContact CB-CD1 4.43Å; R2437-Y2539 HydrophobicContact CB-CG 4.36Å; R2437-Y2539 HydrophobicContact CG-CD1 3.88Å; R2437-Y2539 HydrophobicContact CG-CG 3.92Å; L2440-Y2539 HydrophobicContact CB-CE1 4.43Å; L2440-Y2539 VanDerWaalsContact CB-OH 3.28Å; L2440-Y2539 WeakPolarHBondContact CB-OH 3.42Å; L2440-Y2539 HydrophobicContact CD1-CE1 3.98Å; N2441-Y2539 VanDerWaalsContact CG-CE2 3.48Å; N2441-Y2539 WeakPolarHBondContact ND2-CE2 3.35Å; N2441-Y2539 WeakPolarHBondContact OD1-CE2 3.4Å; N2441-Y2539 PolarHBondContact OD1-OH 3.4Å; R2473-Y2539 VanDerWaalsContact CD-OH 3.32Å; R2473-Y2539 WeakPolarHBondContact CD-OH 3.41Å; S2535-Y2539 PolarHBondContact O-N 3.48Å; Y2536-Y2539 AromaticContact CD2-CD1 3.83Å; Y2536-Y2539 HydrophobicContact CD2-CD1 3.83Å; Y2536-Y2539 HydrophobicContact CD2-CE1 4.48Å; Y2536-Y2539 AromaticContact CE2-CD1 3.74Å; Y2536-Y2539 HydrophobicContact CE2-CD1 3.74Å; Y2536-Y2539 AromaticContact CE2-CE1 3.95Å; Y2536-Y2539 HydrophobicContact CE2-CE1 3.95Å; Y2536-Y2539 WeakPolarHBondContact O-CB 3.48Å; Y2536-Y2539 PolarHBondContact O-N 2.91Å; L2537-Y2539 VanDerWaalsContact C-N 3.32Å; L2537-Y2539 PolarHBondContact O-N 2.8Å; Y2539-S2541 VanDerWaalsContact C-N 3.26Å; Y2539-S2541 PolarHBondContact O-N 2.86Å; Y2539-A2542 CarbonylContact O-C 3.58Å; Y2539-A2542 PolarHBondContact O-N 3.3Å; Y2539-L2543 HydrophobicContact CE2-CD1 4.2Å; Y2539-L2543 PolarHBondContact O-N 2.8Å |
| 2540 | L | 90.8 | Very high | 77.1 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -37 | 177.9 | -71.7 | 169 | 0 | 0 | 0 | 112 | C2477 I2484 Y2536 L2537 A2542 L2543 F2563 L2582 L2586 | C2477-L2540 HydrophobicContact CB-CD2 4.33Å; C2477-L2540 VanDerWaalsContact SG-CD2 3.53Å; I2484-L2540 HydrophobicContact CD1-CD1 4.42Å; Y2536-L2540 HydrophobicContact CD1-CD1 3.68Å; Y2536-L2540 HydrophobicContact CD1-CG 4.31Å; Y2536-L2540 HydrophobicContact CE1-CD1 3.41Å; Y2536-L2540 VanDerWaalsContact CE1-CD1 3.41Å; Y2536-L2540 HydrophobicContact CE1-CD2 4.34Å; Y2536-L2540 HydrophobicContact CE1-CG 4Å; Y2536-L2540 HydrophobicContact CE2-CG 4.45Å; Y2536-L2540 HydrophobicContact CG-CD1 4.44Å; Y2536-L2540 WeakPolarHBondContact O-CG 3.36Å; Y2536-L2540 PolarHBondContact O-N 3.19Å; L2537-L2540 HydrophobicContact CD2-CD1 4.46Å; L2537-L2540 PolarHBondContact O-N 3.47Å; L2540-A2542 VanDerWaalsContact C-N 3.26Å; L2540-A2542 PolarHBondContact O-N 3.42Å; L2540-L2543 WeakPolarHBondContact O-CB 3.49Å; L2540-L2543 PolarHBondContact O-N 3.07Å; L2540-F2563 HydrophobicContact CD1-CZ 3.86Å; L2540-F2563 HydrophobicContact CD2-CZ 4.26Å; L2540-L2582 HydrophobicContact CB-CD2 4.36Å; L2540-L2586 VanDerWaalsContact O-CD2 3.26Å; L2540-L2586 WeakPolarHBondContact O-CD2 3.32Å |
| 2541 | S | 88.3 | Confident | 76.3 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.2 | -27.4 | -179.5 | 84.1 | 0 | 0 | 0 | 0 | 113 | L2537 I2538 Y2539 N2585 | L2537-S2541 VanDerWaalsContact O-CB 3.3Å; L2537-S2541 WeakPolarHBondContact O-CB 3.49Å; L2537-S2541 PolarHBondContact O-N 3.04Å; I2538-S2541 PolarHBondContact O-N 3.33Å; I2538-S2541 PolarHBondContact O-OG 3.26Å; Y2539-S2541 VanDerWaalsContact C-N 3.26Å; Y2539-S2541 PolarHBondContact O-N 2.86Å; S2541-N2585 WeakPolarHBondContact CB-ND2 3.39Å; S2541-N2585 CarbonylContact O-C 3.57Å; S2541-N2585 VanDerWaalsContact O-CB 3.28Å; S2541-N2585 WeakPolarHBondContact O-CB 3.45Å; S2541-N2585 PolarHBondContact OG-ND2 2.8Å |
| 2542 | A | 87.2 | Confident | 76.4 | Confident | 45 Ų | 45 | 29.1 Ų | 29.1 | 37% | 0.372 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 17.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I2538 Y2539 L2540 P2544 F2589 | I2538-A2542 PolarHBondContact O-N 3.33Å; Y2539-A2542 CarbonylContact O-C 3.58Å; Y2539-A2542 PolarHBondContact O-N 3.3Å; L2540-A2542 VanDerWaalsContact C-N 3.26Å; L2540-A2542 PolarHBondContact O-N 3.42Å; A2542-P2544 VanDerWaalsContact O-CD 3.29Å; A2542-P2544 WeakPolarHBondContact O-CD 3.22Å; A2542-F2589 HydrophobicContact CB-CD1 4.43Å; A2542-F2589 HydrophobicContact CB-CE1 4.31Å; A2542-F2589 HydrophobicContact CB-CZ 4.42Å |
| 2543 | L | 87.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -65.5 | 119.4 | -175.9 | -173.3 | 68.1 | 0 | 0 | 0 | 110.8 | R2473 Y2539 L2540 L2545 F2559 L2586 N2590 | R2473-L2543 HydrophobicContact CG-CD1 4.21Å; Y2539-L2543 HydrophobicContact CE2-CD1 4.2Å; Y2539-L2543 PolarHBondContact O-N 2.8Å; L2540-L2543 WeakPolarHBondContact O-CB 3.49Å; L2540-L2543 PolarHBondContact O-N 3.07Å; L2543-L2545 HydrophobicContact CD2-CD2 3.8Å; L2543-L2545 HydrophobicContact CG-CD2 4.07Å; L2543-L2545 PolarHBondContact O-N 2.69Å; L2543-F2559 HydrophobicContact CD2-CE1 4.25Å; L2543-F2559 HydrophobicContact CD2-CZ 4.14Å; L2543-L2586 HydrophobicContact CB-CD2 4.12Å; L2543-N2590 PolarHBondContact O-ND2 3.29Å | ||
| 2544 | P | 84.5 | Confident | 76.9 | Confident | 60 Ų | 60 | 32.7 Ų | 32.7 | 39% | 0.39 | 22% | 0.223 | S | C | . | . | trans | -75.4 | 116 | 174.8 | 27.9 | -30 | 0 | 0 | 0 | 109.8 | T2446 R2473 A2542 | T2446-P2544 WeakPolarHBondContact CG2-O 3.34Å; R2473-P2544 PolarHBondContact NH2-O 3.36Å; A2542-P2544 VanDerWaalsContact O-CD 3.29Å; A2542-P2544 WeakPolarHBondContact O-CD 3.22Å | ||
| 2545 | L | 84.5 | Confident | 77 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | trans | -100.4 | -3.2 | 176.9 | -58.9 | 177.2 | 0 | 0 | 0 | 112.4 | T2446 F2447 T2474 L2543 S2551 V2556 F2559 I2560 L2586 N2590 | T2446-L2545 HydrophobicContact CG2-CD2 4.36Å; F2447-L2545 HydrophobicContact CE2-CB 4.48Å; F2447-L2545 WeakPolarHBondContact CE2-O 3.43Å; T2474-L2545 HydrophobicContact CG2-CD2 3.88Å; L2543-L2545 HydrophobicContact CD2-CD2 3.8Å; L2543-L2545 HydrophobicContact CG-CD2 4.07Å; L2543-L2545 PolarHBondContact O-N 2.69Å; L2545-S2551 WeakPolarHBondContact O-CB 3.31Å; L2545-V2556 HydrophobicContact CB-CG1 3.97Å; L2545-V2556 HydrophobicContact CB-CG2 4.23Å; L2545-V2556 HydrophobicContact CD1-CG1 3.88Å; L2545-F2559 HydrophobicContact CD1-CD1 3.71Å; L2545-F2559 HydrophobicContact CD1-CE1 3.85Å; L2545-F2559 HydrophobicContact CD2-CD1 3.7Å; L2545-F2559 HydrophobicContact CD2-CE1 3.56Å; L2545-F2559 HydrophobicContact CD2-CZ 4.46Å; L2545-F2559 HydrophobicContact CG-CD1 4.37Å; L2545-F2559 HydrophobicContact CG-CE1 4.34Å; L2545-I2560 HydrophobicContact CD1-CD1 4.01Å; L2545-I2560 HydrophobicContact CD1-CG1 3.86Å; L2545-L2586 HydrophobicContact CD1-CD2 4.21Å; L2545-N2590 PolarHBondContact N-OD1 3.43Å | ||
| 2546 | S | 70.9 | Confident | 77.5 | Confident | 38 Ų | 38 | 35.2 Ų | 35.2 | 27% | 0.266 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -129.4 | 163.4 | -179.8 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | N2590 | S2546-N2590 PolarHBondContact N-OD1 2.71Š|
| 2547 | G | 59.8 | Low | 77.6 | Confident | 72 Ų | 72 | 35.2 Ų | 35.2 | 74% | 0.742 | 23% | 0.234 | S | C | * | . | trans | 105 | -4.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | G2549 | G2547-G2549 VanDerWaalsContact C-N 3.35Š| ||
| 2548 | Q | 56.2 | Low | 77.6 | Confident | 38 Ų | 38 | 37 Ų | 37 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -92.8 | 16.6 | 175.5 | -63.3 | -151.5 | -29.3 | 0 | 0 | 114.3 | N2292 Q2550 | N2292-Q2548 PolarHBondContact ND2-OE1 3.05Å; Q2548-Q2550 PolarHBondContact O-N 3.41Å |
| 2549 | G | 50.9 | Low | 77.9 | Confident | 76 Ų | 76 | 34.4 Ų | 34.4 | 78% | 0.784 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 70.3 | -5.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | G2547 | G2547-G2549 VanDerWaalsContact C-N 3.35Š|
| 2550 | Q | 52.5 | Low | 78.2 | Confident | 49 Ų | 49 | 33.2 Ų | 33.2 | 23% | 0.229 | 23% | 0.229 | C | C | . | . | trans | -121.4 | -4.2 | -170 | -66 | 171 | -4.9 | 0 | 0 | 114.5 | P2449 Q2548 D2552 | P2449-Q2550 VanDerWaalsContact CG-OE1 3.24Å; Q2548-Q2550 PolarHBondContact O-N 3.41Å; Q2550-D2552 PolarHBondContact O-N 2.83Å | ||
| 2551 | S | 57.5 | Low | 78.3 | Confident | 34 Ų | 34 | 36 Ų | 36 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | trans | -88.1 | 107.3 | -178.3 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | L2545 | L2545-S2551 WeakPolarHBondContact O-CB 3.31Š| ||
| 2552 | D | 72.7 | Confident | 78.5 | Confident | 76 Ų | 76 | 41.6 Ų | 41.6 | 41% | 0.406 | 27% | 0.268 | S | S | . | . | trans | -71.1 | 145.2 | 162.3 | -175.7 | 14.3 | 0 | 0 | 0 | 109.6 | Q2550 N2554 N2555 V2556 | Q2550-D2552 PolarHBondContact O-N 2.83Å; D2552-N2554 PolarHBondContact O-N 3.26Å; D2552-N2554 VanDerWaalsContact O-N 3.17Å; D2552-N2554 WeakPolarHBondContact OD2-CB 3.4Å; D2552-N2554 PolarHBondContact OD2-ND2 3.38Å; D2552-N2555 WeakPolarHBondContact O-CB 3.21Å; D2552-N2555 PolarHBondContact O-N 2.91Å; D2552-V2556 PolarHBondContact O-N 3.01Å; D2552-V2556 VanDerWaalsContact O-N 3.1Å | ||
| 2553 | V | 81.2 | Confident | 78.9 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 14% | 0.139 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -53.5 | -36.3 | 175.5 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | V2556 L2557 A2593 F2594 L2614 V2618 | V2553-V2556 PolarHBondContact O-N 3.32Å; V2553-L2557 WeakPolarHBondContact O-CB 3.21Å; V2553-L2557 PolarHBondContact O-N 3.15Å; V2553-A2593 WeakPolarHBondContact CG2-O 3.48Å; V2553-F2594 HydrophobicContact CG1-CD1 3.83Å; V2553-F2594 HydrophobicContact CG1-CE1 4.1Å; V2553-L2614 HydrophobicContact CB-CD2 4.3Å; V2553-L2614 HydrophobicContact CG2-CD2 4.01Å; V2553-V2618 HydrophobicContact CG1-CG2 3.74Å |
| 2554 | N | 83.1 | Confident | 79.3 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 176.2 | -65.6 | -48.8 | 0 | 0 | 0 | 112.8 | D2552 L2557 S2558 | D2552-N2554 PolarHBondContact O-N 3.26Å; D2552-N2554 VanDerWaalsContact O-N 3.17Å; D2552-N2554 WeakPolarHBondContact OD2-CB 3.4Å; D2552-N2554 PolarHBondContact OD2-ND2 3.38Å; N2554-L2557 PolarHBondContact O-N 3.28Å; N2554-S2558 VanDerWaalsContact O-CB 3.25Å; N2554-S2558 WeakPolarHBondContact O-CB 3.49Å; N2554-S2558 PolarHBondContact O-N 2.93Å; N2554-S2558 PolarHBondContact O-OG 3.45Å |
| 2555 | N | 82.1 | Confident | 79.8 | Confident | 80 Ų | 80 | 41.5 Ų | 41.5 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 177.8 | -69.4 | -10.2 | 0 | 0 | 0 | 110.7 | F2447 D2552 S2558 F2559 | F2447-N2555 HydrophobicContact CE1-CB 4.29Å; D2552-N2555 WeakPolarHBondContact O-CB 3.21Å; D2552-N2555 PolarHBondContact O-N 2.91Å; N2555-S2558 PolarHBondContact O-N 3.47Å; N2555-F2559 WeakPolarHBondContact O-CB 3.15Å; N2555-F2559 PolarHBondContact O-N 3.43Å |
| 2556 | V | 88.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.9 | -50.4 | 175.3 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | F2447 L2545 D2552 V2553 F2559 I2560 F2594 | F2447-V2556 HydrophobicContact CE2-CG2 4.1Å; F2447-V2556 HydrophobicContact CZ-CG2 4.1Å; L2545-V2556 HydrophobicContact CB-CG1 3.97Å; L2545-V2556 HydrophobicContact CB-CG2 4.23Å; L2545-V2556 HydrophobicContact CD1-CG1 3.88Å; D2552-V2556 PolarHBondContact O-N 3.01Å; D2552-V2556 VanDerWaalsContact O-N 3.1Å; V2553-V2556 PolarHBondContact O-N 3.32Å; V2556-F2559 PolarHBondContact O-N 3.46Å; V2556-I2560 HydrophobicContact CG1-CD1 4.01Å; V2556-I2560 VanDerWaalsContact O-CG1 3.32Å; V2556-I2560 WeakPolarHBondContact O-CG1 3.49Å; V2556-I2560 PolarHBondContact O-N 3.18Å; V2556-F2594 HydrophobicContact CG1-CZ 3.92Å |
| 2557 | L | 88.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.2 | -39.8 | -177.7 | -172.3 | 60.2 | 0 | 0 | 0 | 112.4 | V2553 N2554 I2560 E2561 V2618 R2621 L2622 | V2553-L2557 WeakPolarHBondContact O-CB 3.21Å; V2553-L2557 PolarHBondContact O-N 3.15Å; N2554-L2557 PolarHBondContact O-N 3.28Å; L2557-I2560 PolarHBondContact O-N 3.1Å; L2557-E2561 WeakPolarHBondContact O-CG 3.28Å; L2557-E2561 PolarHBondContact O-N 2.79Å; L2557-V2618 HydrophobicContact CD2-CB 4.39Å; L2557-V2618 HydrophobicContact CD2-CG1 4.33Å; L2557-V2618 HydrophobicContact CD2-CG2 4.26Å; L2557-R2621 HydrophobicContact CD2-CB 3.79Å; L2557-R2621 HydrophobicContact CD2-CG 4.27Å; L2557-L2622 HydrophobicContact CD1-CD2 3.81Å; L2557-L2622 HydrophobicContact CD1-CG 4.23Å |
| 2558 | S | 90 | Very high | 83 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -40 | 175 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | N2554 N2555 E2561 Q2562 R2621 | N2554-S2558 VanDerWaalsContact O-CB 3.25Å; N2554-S2558 WeakPolarHBondContact O-CB 3.49Å; N2554-S2558 PolarHBondContact O-N 2.93Å; N2554-S2558 PolarHBondContact O-OG 3.45Å; N2555-S2558 PolarHBondContact O-N 3.47Å; S2558-E2561 PolarHBondContact O-N 3.29Å; S2558-Q2562 WeakPolarHBondContact O-CB 3.28Å; S2558-Q2562 WeakPolarHBondContact O-CG 3.48Å; S2558-Q2562 PolarHBondContact O-N 3.47Å; S2558-R2621 VanDerWaalsContact CA-NH2 3.32Å; S2558-R2621 PolarHBondContact OG-NH2 3.06Å |
| 2559 | F | 91.9 | Very high | 84.7 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -50.3 | 171.6 | 163.6 | -103.8 | 0 | 0 | 0 | 111.5 | F2447 T2474 C2477 C2478 L2543 L2545 N2555 V2556 E2561 Q2562 F2563 | F2447-F2559 HydrophobicContact CE1-CB 4.2Å; F2447-F2559 HydrophobicContact CZ-CB 4.47Å; T2474-F2559 HydrophobicContact CG2-CD1 3.96Å; T2474-F2559 HydrophobicContact CG2-CD2 3.61Å; T2474-F2559 HydrophobicContact CG2-CE1 4.06Å; T2474-F2559 HydrophobicContact CG2-CE2 3.69Å; T2474-F2559 HydrophobicContact CG2-CG 3.73Å; T2474-F2559 HydrophobicContact CG2-CZ 3.91Å; T2474-F2559 WeakPolarHBondContact O-CE2 3Å; C2477-F2559 HydrophobicContact CB-CE2 4.11Å; C2477-F2559 HydrophobicContact CB-CZ 4.18Å; C2478-F2559 VanDerWaalsContact SG-CD2 3.52Å; C2478-F2559 VanDerWaalsContact SG-CE2 3.58Å; L2543-F2559 HydrophobicContact CD2-CE1 4.25Å; L2543-F2559 HydrophobicContact CD2-CZ 4.14Å; L2545-F2559 HydrophobicContact CD1-CD1 3.71Å; L2545-F2559 HydrophobicContact CD1-CE1 3.85Å; L2545-F2559 HydrophobicContact CD2-CD1 3.7Å; L2545-F2559 HydrophobicContact CD2-CE1 3.56Å; L2545-F2559 HydrophobicContact CD2-CZ 4.46Å; L2545-F2559 HydrophobicContact CG-CD1 4.37Å; L2545-F2559 HydrophobicContact CG-CE1 4.34Å; N2555-F2559 WeakPolarHBondContact O-CB 3.15Å; N2555-F2559 PolarHBondContact O-N 3.43Å; V2556-F2559 PolarHBondContact O-N 3.46Å; F2559-E2561 VanDerWaalsContact C-N 3.3Å; F2559-E2561 PolarHBondContact O-N 3.13Å; F2559-Q2562 PolarHBondContact O-N 3.23Å; F2559-F2563 HydrophobicContact CD2-CB 4.32Å; F2559-F2563 HydrophobicContact CE2-CB 3.87Å; F2559-F2563 HydrophobicContact CE2-CD2 4.45Å; F2559-F2563 HydrophobicContact CE2-CG 4.24Å; F2559-F2563 HydrophobicContact CZ-CB 4Å; F2559-F2563 HydrophobicContact CZ-CD1 4.5Å; F2559-F2563 HydrophobicContact CZ-CD2 4.44Å; F2559-F2563 HydrophobicContact CZ-CG 4.05Å; F2559-F2563 WeakPolarHBondContact O-CB 3.46Å; F2559-F2563 PolarHBondContact O-N 3.06Å |
| 2560 | I | 93.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.2 | -46.1 | -179.3 | -69.3 | 170.2 | 0 | 0 | 0 | 110.5 | L2545 V2556 L2557 L2564 L2583 L2586 V2587 F2594 | L2545-I2560 HydrophobicContact CD1-CD1 4.01Å; L2545-I2560 HydrophobicContact CD1-CG1 3.86Å; V2556-I2560 HydrophobicContact CG1-CD1 4.01Å; V2556-I2560 VanDerWaalsContact O-CG1 3.32Å; V2556-I2560 WeakPolarHBondContact O-CG1 3.49Å; V2556-I2560 PolarHBondContact O-N 3.18Å; L2557-I2560 PolarHBondContact O-N 3.1Å; I2560-L2564 HydrophobicContact CG2-CD1 3.66Å; I2560-L2564 HydrophobicContact CG2-CG 4.48Å; I2560-L2564 VanDerWaalsContact O-CB 3.28Å; I2560-L2564 WeakPolarHBondContact O-CB 3.36Å; I2560-L2564 WeakPolarHBondContact O-CG 3.38Å; I2560-L2564 PolarHBondContact O-N 2.95Å; I2560-L2583 HydrophobicContact CG2-CD1 3.59Å; I2560-L2586 HydrophobicContact CD1-CB 4.12Å; I2560-L2586 HydrophobicContact CG1-CB 4.17Å; I2560-L2586 HydrophobicContact CG1-CD1 4.37Å; I2560-V2587 HydrophobicContact CD1-CG2 4.18Å; I2560-F2594 HydrophobicContact CD1-CZ 4.13Å |
| 2561 | E | 94 | Very high | 88.5 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 178.6 | -74.3 | 175.7 | -177.1 | 0 | 0 | 112.5 | L2557 S2558 F2559 Q2565 R2621 | L2557-E2561 WeakPolarHBondContact O-CG 3.28Å; L2557-E2561 PolarHBondContact O-N 2.79Å; S2558-E2561 PolarHBondContact O-N 3.29Å; F2559-E2561 VanDerWaalsContact C-N 3.3Å; F2559-E2561 PolarHBondContact O-N 3.13Å; E2561-Q2565 PolarHBondContact O-N 3.3Å; E2561-R2621 WeakPolarHBondContact OE1-CB 3.39Å; E2561-R2621 IonicContact OE1-CZ 3.96Å; E2561-R2621 IonicContact OE1-NE 2.93Å; E2561-R2621 PolarHBondContact OE1-NE 3.37Å; E2561-R2621 IonicContact OE1-NH2 3.28Å; E2561-R2621 PolarHBondContact OE1-NH2 3.03Å; E2561-R2621 IonicContact OE2-CZ 3.33Å; E2561-R2621 IonicContact OE2-NE 2.79Å; E2561-R2621 PolarHBondContact OE2-NE 3.29Å; E2561-R2621 IonicContact OE2-NH2 3.26Å; E2561-R2621 PolarHBondContact OE2-NH2 2.89Å |
| 2562 | Q | 92.4 | Very high | 90.1 | Very high | 120 Ų | 120 | 44.9 Ų | 44.9 | 56% | 0.561 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.8 | -46.5 | 179.3 | -73.2 | 173.2 | 4.4 | 0 | 0 | 111.8 | S2558 F2559 L2564 Q2565 | S2558-Q2562 WeakPolarHBondContact O-CB 3.28Å; S2558-Q2562 WeakPolarHBondContact O-CG 3.48Å; S2558-Q2562 PolarHBondContact O-N 3.47Å; F2559-Q2562 PolarHBondContact O-N 3.23Å; Q2562-L2564 VanDerWaalsContact C-N 3.34Å; Q2562-L2564 PolarHBondContact O-N 3.48Å; Q2562-Q2565 WeakPolarHBondContact O-CB 3.42Å; Q2562-Q2565 PolarHBondContact O-N 3.21Å |
| 2563 | F | 94.8 | Very high | 91 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 179.7 | 176.6 | -109.1 | 0 | 0 | 0 | 112 | C2477 A2481 L2540 F2559 F2567 L2582 L2586 | C2477-F2563 HydrophobicContact CB-CD2 4.08Å; C2477-F2563 HydrophobicContact CB-CE2 4.07Å; C2477-F2563 WeakPolarHBondContact O-CD2 3.48Å; C2477-F2563 WeakPolarHBondContact O-CE2 3.29Å; A2481-F2563 HydrophobicContact CB-CD2 3.73Å; A2481-F2563 HydrophobicContact CB-CE2 3.8Å; L2540-F2563 HydrophobicContact CD1-CZ 3.86Å; L2540-F2563 HydrophobicContact CD2-CZ 4.26Å; F2559-F2563 HydrophobicContact CD2-CB 4.32Å; F2559-F2563 HydrophobicContact CE2-CB 3.87Å; F2559-F2563 HydrophobicContact CE2-CD2 4.45Å; F2559-F2563 HydrophobicContact CE2-CG 4.24Å; F2559-F2563 HydrophobicContact CZ-CB 4Å; F2559-F2563 HydrophobicContact CZ-CD1 4.5Å; F2559-F2563 HydrophobicContact CZ-CD2 4.44Å; F2559-F2563 HydrophobicContact CZ-CG 4.05Å; F2559-F2563 WeakPolarHBondContact O-CB 3.46Å; F2559-F2563 PolarHBondContact O-N 3.06Å; F2563-F2567 HydrophobicContact CE1-CE2 4.21Å; F2563-F2567 HydrophobicContact CE2-CE2 4.23Å; F2563-F2567 AromaticContact CZ-CE2 3.87Å; F2563-F2567 HydrophobicContact CZ-CE2 3.87Å; F2563-F2567 HydrophobicContact CZ-CZ 4.22Å; F2563-F2567 WeakPolarHBondContact O-CD2 3.01Å; F2563-L2582 HydrophobicContact CE1-CD1 4.27Å; F2563-L2586 HydrophobicContact CD1-CD1 4.07Å; F2563-L2586 HydrophobicContact CE1-CD1 4.38Å |
| 2564 | L | 96.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -85 | -12.3 | -176.3 | -63.8 | 176.5 | 0 | 0 | 0 | 114.1 | I2560 Q2562 C2566 F2567 L2568 L2582 L2583 L2586 | I2560-L2564 HydrophobicContact CG2-CD1 3.66Å; I2560-L2564 HydrophobicContact CG2-CG 4.48Å; I2560-L2564 VanDerWaalsContact O-CB 3.28Å; I2560-L2564 WeakPolarHBondContact O-CB 3.36Å; I2560-L2564 WeakPolarHBondContact O-CG 3.38Å; I2560-L2564 PolarHBondContact O-N 2.95Å; Q2562-L2564 VanDerWaalsContact C-N 3.34Å; Q2562-L2564 PolarHBondContact O-N 3.48Å; L2564-C2566 VanDerWaalsContact C-N 3.3Å; L2564-C2566 PolarHBondContact O-N 3.03Å; L2564-F2567 HydrophobicContact CD2-CD2 4.44Å; L2564-F2567 PolarHBondContact O-N 2.8Å; L2564-L2568 HydrophobicContact CB-CD1 4.25Å; L2564-L2568 HydrophobicContact CB-CG 4.38Å; L2564-L2568 WeakPolarHBondContact O-CG 3.48Å; L2564-L2568 PolarHBondContact O-N 2.97Å; L2564-L2582 HydrophobicContact CD2-CB 3.64Å; L2564-L2582 HydrophobicContact CD2-CD1 4.19Å; L2564-L2583 VanDerWaalsContact CD1-CA 3.49Å; L2564-L2583 HydrophobicContact CD1-CB 3.56Å; L2564-L2583 HydrophobicContact CD1-CD1 3.76Å; L2564-L2583 HydrophobicContact CD1-CG 4.22Å; L2564-L2586 HydrophobicContact CD1-CD1 4.47Å; L2564-L2586 HydrophobicContact CD2-CD1 4.48Å |
| 2565 | Q | 94.9 | Very high | 92 | Very high | 100 Ų | 100 | 44.7 Ų | 44.7 | 47% | 0.467 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -52.6 | -48.5 | -179.3 | -177.3 | 176.5 | -9.7 | 0 | 0 | 111.8 | E2561 Q2562 F2567 L2568 Q2569 | E2561-Q2565 PolarHBondContact O-N 3.3Å; Q2562-Q2565 WeakPolarHBondContact O-CB 3.42Å; Q2562-Q2565 PolarHBondContact O-N 3.21Å; Q2565-F2567 VanDerWaalsContact C-N 3.27Å; Q2565-F2567 PolarHBondContact O-N 3.14Å; Q2565-L2568 PolarHBondContact O-N 2.7Å; Q2565-Q2569 WeakPolarHBondContact O-CB 3.22Å; Q2565-Q2569 WeakPolarHBondContact O-CG 3.45Å; Q2565-Q2569 PolarHBondContact O-N 3.28Å |
| 2566 | C | 92.2 | Very high | 92.6 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 25% | 0.25 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -31 | 179.8 | -59.6 | 0 | 0 | 0 | 0 | 113 | A2485 L2564 H2570 | A2485-C2566 HydrophobicContact CB-CB 4.29Å; L2564-C2566 VanDerWaalsContact C-N 3.3Å; L2564-C2566 PolarHBondContact O-N 3.03Å; C2566-H2570 WeakPolarHBondContact O-CB 3.46Å |
| 2567 | F | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.9 | -48.2 | 177.4 | -67.7 | -98.3 | 0 | 0 | 0 | 111.4 | A2481 I2484 A2485 L2537 F2563 L2564 Q2565 Q2569 H2570 T2575 R2576 L2582 | A2481-F2567 HydrophobicContact CB-CE2 4.17Å; I2484-F2567 HydrophobicContact CB-CZ 3.98Å; I2484-F2567 HydrophobicContact CG2-CE1 4.07Å; I2484-F2567 HydrophobicContact CG2-CZ 3.71Å; A2485-F2567 HydrophobicContact CB-CD1 4Å; A2485-F2567 HydrophobicContact CB-CD2 4.32Å; A2485-F2567 HydrophobicContact CB-CE1 4.14Å; A2485-F2567 HydrophobicContact CB-CE2 4.44Å; A2485-F2567 HydrophobicContact CB-CG 4.1Å; A2485-F2567 HydrophobicContact CB-CZ 4.36Å; L2537-F2567 HydrophobicContact CD2-CE1 4.5Å; F2563-F2567 HydrophobicContact CE1-CE2 4.21Å; F2563-F2567 HydrophobicContact CE2-CE2 4.23Å; F2563-F2567 AromaticContact CZ-CE2 3.87Å; F2563-F2567 HydrophobicContact CZ-CE2 3.87Å; F2563-F2567 HydrophobicContact CZ-CZ 4.22Å; F2563-F2567 WeakPolarHBondContact O-CD2 3.01Å; L2564-F2567 HydrophobicContact CD2-CD2 4.44Å; L2564-F2567 PolarHBondContact O-N 2.8Å; Q2565-F2567 VanDerWaalsContact C-N 3.27Å; Q2565-F2567 PolarHBondContact O-N 3.14Å; F2567-Q2569 VanDerWaalsContact C-N 3.31Å; F2567-Q2569 PolarHBondContact O-N 2.97Å; F2567-H2570 VanDerWaalsContact O-CB 3.32Å; F2567-H2570 WeakPolarHBondContact O-CB 3.4Å; F2567-H2570 PolarHBondContact O-N 3.32Å; F2567-T2575 HydrophobicContact CB-CG2 4.45Å; F2567-T2575 HydrophobicContact CD1-CG2 3.93Å; F2567-R2576 WeakPolarHBondContact O-CA 3.2Å; F2567-R2576 WeakPolarHBondContact O-CG 3.46Å; F2567-L2582 HydrophobicContact CD1-CD1 4.32Å; F2567-L2582 HydrophobicContact CE1-CD1 4.06Å; F2567-L2582 HydrophobicContact CZ-CD1 4.21Å |
| 2568 | L | 95.2 | Very high | 93 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.1 | -21.9 | -174.1 | -62.6 | -180 | 0 | 0 | 0 | 113.1 | L2564 Q2565 R2576 L2580 T2625 | L2564-L2568 HydrophobicContact CB-CD1 4.25Å; L2564-L2568 HydrophobicContact CB-CG 4.38Å; L2564-L2568 WeakPolarHBondContact O-CG 3.48Å; L2564-L2568 PolarHBondContact O-N 2.97Å; Q2565-L2568 PolarHBondContact O-N 2.7Å; L2568-R2576 WeakPolarHBondContact O-CD 3.48Å; L2568-L2580 HydrophobicContact CD2-CD2 4.24Å; L2568-L2580 HydrophobicContact CD2-CG 3.93Å; L2568-T2625 HydrophobicContact CD1-CG2 3.79Å |
| 2569 | Q | 92.1 | Very high | 93.3 | Very high | 136 Ų | 136 | 39.9 Ų | 39.9 | 64% | 0.636 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 1.7 | 176.4 | -64.4 | 177.9 | -15.2 | 0 | 0 | 113.1 | Q2565 F2567 | Q2565-Q2569 WeakPolarHBondContact O-CB 3.22Å; Q2565-Q2569 WeakPolarHBondContact O-CG 3.45Å; Q2565-Q2569 PolarHBondContact O-N 3.28Å; F2567-Q2569 VanDerWaalsContact C-N 3.31Å; F2567-Q2569 PolarHBondContact O-N 2.97Å |
| 2570 | H | 93.1 | Very high | 93.5 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | trans | -69.5 | 148 | -175.8 | -165.9 | -91.7 | 0 | 0 | 0 | 112.4 | D2486 C2566 F2567 S2572 T2575 R2576 | D2486-H2570 IonicContact OD1-CD2 3.22Å; D2486-H2570 IonicContact OD1-NE2 3.78Å; D2486-H2570 PolarHBondContact OD1-NE2 3.3Å; C2566-H2570 WeakPolarHBondContact O-CB 3.46Å; F2567-H2570 VanDerWaalsContact O-CB 3.32Å; F2567-H2570 WeakPolarHBondContact O-CB 3.4Å; F2567-H2570 PolarHBondContact O-N 3.32Å; H2570-S2572 WeakPolarHBondContact ND1-CB 3.43Å; H2570-S2572 PolarHBondContact ND1-N 2.96Å; H2570-S2572 PolarHBondContact O-N 3.46Å; H2570-T2575 HydrophobicContact CB-CG2 3.7Å; H2570-T2575 PolarHBondContact ND1-OG1 2.81Å; H2570-R2576 WeakPolarHBondContact O-CD 3.33Å; H2570-R2576 WeakPolarHBondContact O-CG 3.47Å; H2570-R2576 PolarHBondContact O-NH1 3.47Å | ||
| 2571 | T | 90.5 | Very high | 93.5 | Very high | 131 Ų | 131 | 39.4 Ų | 39.4 | 80% | 0.804 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -64.2 | -41.1 | -179.2 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | W2573 R2576 | T2571-W2573 PolarHBondContact O-N 2.93Å; T2571-R2576 PolarHBondContact O-NH1 3.06Å |
| 2572 | S | 90.9 | Very high | 93.5 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 17% | 0.168 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -70.4 | 121.8 | 174 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | H2570 R2574 T2575 R2576 | H2570-S2572 WeakPolarHBondContact ND1-CB 3.43Å; H2570-S2572 PolarHBondContact ND1-N 2.96Å; H2570-S2572 PolarHBondContact O-N 3.46Å; S2572-R2574 PolarHBondContact O-N 3Å; S2572-R2574 PolarHBondContact OG-N 3.26Å; S2572-T2575 WeakPolarHBondContact O-CB 3.23Å; S2572-T2575 PolarHBondContact O-N 3.03Å; S2572-R2576 PolarHBondContact O-N 3.33Å |
| 2573 | W | 91.7 | Very high | 93.7 | Very high | 57 Ų | 57 | 31 Ų | 31 | 22% | 0.216 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.2 | -31 | 176 | 75.2 | -102 | 0 | 0 | 0 | 113 | Y2494 T2571 T2575 R2576 A2577 L2634 E2636 V2637 | Y2494-W2573 HydrophobicContact CE1-CH2 4.45Å; Y2494-W2573 HydrophobicContact CE1-CZ3 4.4Å; T2571-W2573 PolarHBondContact O-N 2.93Å; W2573-T2575 VanDerWaalsContact C-N 3.35Å; W2573-R2576 PolarHBondContact O-N 3.13Å; W2573-A2577 HydrophobicContact CE3-CB 4.42Å; W2573-A2577 WeakPolarHBondContact O-CB 3.41Å; W2573-A2577 PolarHBondContact O-N 3.43Å; W2573-L2634 HydrophobicContact CB-CD1 3.39Å; W2573-L2634 HydrophobicContact CG-CD1 3.88Å; W2573-E2636 HydrophobicContact CD2-CB 4.46Å; W2573-E2636 HydrophobicContact CE3-CB 3.82Å; W2573-E2636 HydrophobicContact CE3-CG 4.46Å; W2573-E2636 HydrophobicContact CH2-CB 4.46Å; W2573-E2636 HydrophobicContact CH2-CG 4.42Å; W2573-E2636 HydrophobicContact CZ3-CB 3.83Å; W2573-E2636 HydrophobicContact CZ3-CG 4.27Å; W2573-V2637 HydrophobicContact CB-CG2 3.8Å |
| 2574 | R | 91.5 | Very high | 93.6 | Very high | 91 Ų | 91 | 33.3 Ų | 33.3 | 34% | 0.343 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.2 | -69.5 | -178.3 | 175.4 | 81.8 | -3 | 111.2 | S2572 A2577 I2578 | S2572-R2574 PolarHBondContact O-N 3Å; S2572-R2574 PolarHBondContact OG-N 3.26Å; R2574-A2577 PolarHBondContact O-N 3.03Å; R2574-I2578 WeakPolarHBondContact O-CG1 3.4Å; R2574-I2578 PolarHBondContact O-N 3.41Å |
| 2575 | T | 92.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.1 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | A2485 C2488 S2489 F2567 H2570 S2572 W2573 A2577 I2578 G2579 | A2485-T2575 HydrophobicContact CB-CG2 3.79Å; A2485-T2575 WeakPolarHBondContact O-CG2 3.47Å; A2485-T2575 PolarHBondContact O-OG1 2.67Å; C2488-T2575 HydrophobicContact CB-CG2 4.1Å; S2489-T2575 PolarHBondContact N-OG1 3.44Å; F2567-T2575 HydrophobicContact CB-CG2 4.45Å; F2567-T2575 HydrophobicContact CD1-CG2 3.93Å; H2570-T2575 HydrophobicContact CB-CG2 3.7Å; H2570-T2575 PolarHBondContact ND1-OG1 2.81Å; S2572-T2575 WeakPolarHBondContact O-CB 3.23Å; S2572-T2575 PolarHBondContact O-N 3.03Å; W2573-T2575 VanDerWaalsContact C-N 3.35Å; T2575-A2577 VanDerWaalsContact C-N 3.35Å; T2575-A2577 PolarHBondContact O-N 3.42Å; T2575-I2578 PolarHBondContact O-N 3.4Å; T2575-G2579 PolarHBondContact O-N 2.94Å |
| 2576 | R | 95.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 28.5 Ų | 28.5 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 175.6 | -61.1 | -160.6 | -62.9 | -80.7 | 7.8 | 111.9 | F2567 L2568 H2570 T2571 S2572 W2573 G2579 L2580 D2632 V2637 | F2567-R2576 WeakPolarHBondContact O-CA 3.2Å; F2567-R2576 WeakPolarHBondContact O-CG 3.46Å; L2568-R2576 WeakPolarHBondContact O-CD 3.48Å; H2570-R2576 WeakPolarHBondContact O-CD 3.33Å; H2570-R2576 WeakPolarHBondContact O-CG 3.47Å; H2570-R2576 PolarHBondContact O-NH1 3.47Å; T2571-R2576 PolarHBondContact O-NH1 3.06Å; S2572-R2576 PolarHBondContact O-N 3.33Å; W2573-R2576 PolarHBondContact O-N 3.13Å; R2576-G2579 WeakPolarHBondContact O-CA 3.43Å; R2576-G2579 PolarHBondContact O-N 3.45Å; R2576-G2579 VanDerWaalsContact O-N 3.17Å; R2576-L2580 PolarHBondContact O-N 3.38Å; R2576-D2632 IonicContact CZ-OD1 3.92Å; R2576-D2632 IonicContact CZ-OD2 2.81Å; R2576-D2632 IonicContact NE-OD1 3.75Å; R2576-D2632 IonicContact NE-OD2 3.63Å; R2576-D2632 PolarHBondContact NE-OD2 3.04Å; R2576-D2632 IonicContact NH2-OD1 3.05Å; R2576-D2632 PolarHBondContact NH2-OD1 3.25Å; R2576-D2632 IonicContact NH2-OD2 3.86Å; R2576-V2637 HydrophobicContact CB-CG1 4.06Å; R2576-V2637 HydrophobicContact CB-CG2 4.15Å |
| 2577 | A | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y2494 W2573 R2574 T2575 G2579 L2580 L2581 V2640 | Y2494-A2577 HydrophobicContact CD2-CB 3.95Å; Y2494-A2577 HydrophobicContact CE2-CB 3.5Å; W2573-A2577 HydrophobicContact CE3-CB 4.42Å; W2573-A2577 WeakPolarHBondContact O-CB 3.41Å; W2573-A2577 PolarHBondContact O-N 3.43Å; R2574-A2577 PolarHBondContact O-N 3.03Å; T2575-A2577 VanDerWaalsContact C-N 3.35Å; T2575-A2577 PolarHBondContact O-N 3.42Å; A2577-G2579 VanDerWaalsContact C-N 3.32Å; A2577-G2579 PolarHBondContact O-N 3.06Å; A2577-L2580 WeakPolarHBondContact O-CB 3.32Å; A2577-L2580 PolarHBondContact O-N 2.86Å; A2577-L2581 WeakPolarHBondContact O-CG 3.28Å; A2577-L2581 PolarHBondContact O-N 3.06Å; A2577-V2640 HydrophobicContact CB-CG2 4.36Å |
| 2578 | I | 92.8 | Very high | 93 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 170.9 | -68.8 | 166.1 | 0 | 0 | 0 | 110.6 | C2488 Y2494 F2497 L2537 R2574 T2575 L2580 L2581 L2582 | C2488-I2578 HydrophobicContact CB-CD1 3.78Å; Y2494-I2578 HydrophobicContact CD2-CG1 4.03Å; F2497-I2578 HydrophobicContact CD1-CG1 4.26Å; F2497-I2578 HydrophobicContact CD1-CG2 4.11Å; F2497-I2578 HydrophobicContact CE1-CG2 4.11Å; L2537-I2578 HydrophobicContact CD1-CG2 4.17Å; L2537-I2578 HydrophobicContact CD2-CG2 4.21Å; R2574-I2578 WeakPolarHBondContact O-CG1 3.4Å; R2574-I2578 PolarHBondContact O-N 3.41Å; T2575-I2578 PolarHBondContact O-N 3.4Å; I2578-L2580 VanDerWaalsContact C-N 3.3Å; I2578-L2580 PolarHBondContact O-N 3.12Å; I2578-L2581 PolarHBondContact O-N 3Å; I2578-L2581 VanDerWaalsContact O-N 3.12Å; I2578-L2582 HydrophobicContact CG2-CD1 4.03Å; I2578-L2582 HydrophobicContact CG2-CG 4.33Å; I2578-L2582 WeakPolarHBondContact O-CG 3.5Å; I2578-L2582 PolarHBondContact O-N 3.36Å |
| 2579 | G | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.7 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T2575 R2576 A2577 L2582 L2583 | T2575-G2579 PolarHBondContact O-N 2.94Å; R2576-G2579 WeakPolarHBondContact O-CA 3.43Å; R2576-G2579 PolarHBondContact O-N 3.45Å; R2576-G2579 VanDerWaalsContact O-N 3.17Å; A2577-G2579 VanDerWaalsContact C-N 3.32Å; A2577-G2579 PolarHBondContact O-N 3.06Å; G2579-L2582 PolarHBondContact O-N 3.26Å; G2579-L2583 PolarHBondContact O-N 3Å |
| 2580 | L | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 174.7 | -79.4 | 169.8 | 0 | 0 | 0 | 113.1 | L2568 R2576 A2577 I2578 L2583 R2584 L2626 C2629 V2637 V2640 A2641 V2644 | L2568-L2580 HydrophobicContact CD2-CD2 4.24Å; L2568-L2580 HydrophobicContact CD2-CG 3.93Å; R2576-L2580 PolarHBondContact O-N 3.38Å; A2577-L2580 WeakPolarHBondContact O-CB 3.32Å; A2577-L2580 PolarHBondContact O-N 2.86Å; I2578-L2580 VanDerWaalsContact C-N 3.3Å; I2578-L2580 PolarHBondContact O-N 3.12Å; L2580-L2583 WeakPolarHBondContact O-CB 3.45Å; L2580-L2583 PolarHBondContact O-N 3.33Å; L2580-R2584 PolarHBondContact O-N 3.02Å; L2580-L2626 HydrophobicContact CD2-CD2 4.22Å; L2580-C2629 HydrophobicContact CD1-CB 4.2Å; L2580-C2629 HydrophobicContact CD2-CB 3.81Å; L2580-C2629 HydrophobicContact CG-CB 4.42Å; L2580-V2637 HydrophobicContact CD1-CG1 3.69Å; L2580-V2637 WeakPolarHBondContact CD1-O 3.45Å; L2580-V2640 HydrophobicContact CB-CG1 3.72Å; L2580-V2640 HydrophobicContact CD1-CB 4.01Å; L2580-V2640 HydrophobicContact CD1-CG1 3.88Å; L2580-V2640 HydrophobicContact CG-CG1 4.47Å; L2580-A2641 HydrophobicContact CD1-CB 3.9Å; L2580-A2641 HydrophobicContact CD2-CB 4.03Å; L2580-V2644 HydrophobicContact CB-CG2 4.18Å; L2580-V2644 WeakPolarHBondContact O-CG2 3.4Å |
| 2581 | L | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.2 | -37.5 | 175.6 | -66.3 | 172.2 | 0 | 0 | 0 | 111.8 | Y2494 F2497 T2498 L2501 M2503 F2506 A2577 I2578 R2584 N2585 V2640 | Y2494-L2581 HydrophobicContact CE2-CD1 4.14Å; F2497-L2581 HydrophobicContact CD1-CD1 4.2Å; F2497-L2581 HydrophobicContact CE1-CB 3.93Å; F2497-L2581 HydrophobicContact CE1-CD1 4.39Å; T2498-L2581 HydrophobicContact CG2-CD1 3.58Å; L2501-L2581 HydrophobicContact CD1-CB 4.44Å; M2503-L2581 HydrophobicContact CE-CD2 4.14Å; F2506-L2581 HydrophobicContact CE2-CD2 4.21Å; F2506-L2581 HydrophobicContact CZ-CD2 4.32Å; A2577-L2581 WeakPolarHBondContact O-CG 3.28Å; A2577-L2581 PolarHBondContact O-N 3.06Å; I2578-L2581 PolarHBondContact O-N 3Å; I2578-L2581 VanDerWaalsContact O-N 3.12Å; L2581-R2584 PolarHBondContact O-N 3.29Å; L2581-N2585 PolarHBondContact O-N 3.4Å; L2581-V2640 HydrophobicContact CD2-CG1 4.37Å; L2581-V2640 HydrophobicContact CG-CG1 4.45Å |
| 2582 | L | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 171.3 | -70.9 | 170.5 | 0 | 0 | 0 | 111.1 | F2497 L2537 L2540 F2563 L2564 F2567 I2578 G2579 R2584 N2585 L2586 | F2497-L2582 HydrophobicContact CE1-CD2 4.47Å; F2497-L2582 HydrophobicContact CE1-CG 4.46Å; F2497-L2582 HydrophobicContact CZ-CD2 3.91Å; F2497-L2582 HydrophobicContact CZ-CG 4.38Å; L2537-L2582 HydrophobicContact CD2-CD1 4.11Å; L2540-L2582 HydrophobicContact CB-CD2 4.36Å; F2563-L2582 HydrophobicContact CE1-CD1 4.27Å; L2564-L2582 HydrophobicContact CD2-CB 3.64Å; L2564-L2582 HydrophobicContact CD2-CD1 4.19Å; F2567-L2582 HydrophobicContact CD1-CD1 4.32Å; F2567-L2582 HydrophobicContact CE1-CD1 4.06Å; F2567-L2582 HydrophobicContact CZ-CD1 4.21Å; I2578-L2582 HydrophobicContact CG2-CD1 4.03Å; I2578-L2582 HydrophobicContact CG2-CG 4.33Å; I2578-L2582 WeakPolarHBondContact O-CG 3.5Å; I2578-L2582 PolarHBondContact O-N 3.36Å; G2579-L2582 PolarHBondContact O-N 3.26Å; L2582-R2584 VanDerWaalsContact C-N 3.32Å; L2582-R2584 PolarHBondContact O-N 3.06Å; L2582-N2585 PolarHBondContact O-N 2.92Å; L2582-L2586 VanDerWaalsContact O-CB 3.28Å; L2582-L2586 WeakPolarHBondContact O-CB 3.38Å; L2582-L2586 VanDerWaalsContact O-CG 3.28Å; L2582-L2586 WeakPolarHBondContact O-CG 3.36Å; L2582-L2586 PolarHBondContact O-N 2.91Å |
| 2583 | L | 95.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.3 | -51.4 | 173.9 | 179.9 | 57.4 | 0 | 0 | 0 | 111.1 | I2560 L2564 G2579 L2580 N2585 V2587 L2622 T2625 L2626 F2648 | I2560-L2583 HydrophobicContact CG2-CD1 3.59Å; L2564-L2583 VanDerWaalsContact CD1-CA 3.49Å; L2564-L2583 HydrophobicContact CD1-CB 3.56Å; L2564-L2583 HydrophobicContact CD1-CD1 3.76Å; L2564-L2583 HydrophobicContact CD1-CG 4.22Å; G2579-L2583 PolarHBondContact O-N 3Å; L2580-L2583 WeakPolarHBondContact O-CB 3.45Å; L2580-L2583 PolarHBondContact O-N 3.33Å; L2583-N2585 PolarHBondContact O-N 3.47Å; L2583-V2587 HydrophobicContact CD1-CG2 4.27Å; L2583-V2587 WeakPolarHBondContact O-CG2 3.39Å; L2583-V2587 PolarHBondContact O-N 3.28Å; L2583-V2587 VanDerWaalsContact O-N 3.15Å; L2583-L2622 HydrophobicContact CD1-CD2 4.33Å; L2583-T2625 HydrophobicContact CD2-CG2 4.28Å; L2583-L2626 HydrophobicContact CD2-CD2 4.01Å; L2583-L2626 HydrophobicContact CD2-CG 4.4Å; L2583-F2648 HydrophobicContact CG-CE2 4.26Å; L2583-F2648 HydrophobicContact CG-CZ 4.08Å |
| 2584 | R | 93.2 | Very high | 90.2 | Very high | 50 Ų | 50 | 24.7 Ų | 24.7 | 19% | 0.189 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.6 | -55.9 | 177.7 | -179.2 | -134.9 | 169.5 | -150.7 | 11.5 | 111 | L2580 L2581 L2582 V2587 V2588 V2644 I2647 | L2580-R2584 PolarHBondContact O-N 3.02Å; L2581-R2584 PolarHBondContact O-N 3.29Å; L2582-R2584 VanDerWaalsContact C-N 3.32Å; L2582-R2584 PolarHBondContact O-N 3.06Å; R2584-V2587 PolarHBondContact O-N 3.43Å; R2584-V2588 HydrophobicContact CG-CG2 4.33Å; R2584-V2588 WeakPolarHBondContact O-CB 3.44Å; R2584-V2588 VanDerWaalsContact O-CG2 3.22Å; R2584-V2588 WeakPolarHBondContact O-CG2 3.25Å; R2584-V2588 PolarHBondContact O-N 3.48Å; R2584-V2644 HydrophobicContact CB-CG1 3.96Å; R2584-V2644 HydrophobicContact CB-CG2 4.15Å; R2584-I2647 HydrophobicContact CG-CD1 4.08Å; R2584-I2647 HydrophobicContact CG-CG2 4.16Å |
| 2585 | N | 92 | Very high | 89.2 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.5 | -42.8 | -173.7 | -75.5 | 6.8 | 0 | 0 | 0 | 112 | L2501 S2541 L2581 L2582 L2583 V2587 V2588 F2589 | L2501-N2585 WeakPolarHBondContact CD1-ND2 3.39Å; L2501-N2585 WeakPolarHBondContact CD2-ND2 3.5Å; S2541-N2585 WeakPolarHBondContact CB-ND2 3.39Å; S2541-N2585 CarbonylContact O-C 3.57Å; S2541-N2585 VanDerWaalsContact O-CB 3.28Å; S2541-N2585 WeakPolarHBondContact O-CB 3.45Å; S2541-N2585 PolarHBondContact OG-ND2 2.8Å; L2581-N2585 PolarHBondContact O-N 3.4Å; L2582-N2585 PolarHBondContact O-N 2.92Å; L2583-N2585 PolarHBondContact O-N 3.47Å; N2585-V2587 PolarHBondContact O-N 3.3Å; N2585-V2588 PolarHBondContact O-N 3.17Å; N2585-F2589 HydrophobicContact CB-CD2 4.07Å; N2585-F2589 HydrophobicContact CB-CE2 4.37Å; N2585-F2589 WeakPolarHBondContact O-CB 3.39Å; N2585-F2589 WeakPolarHBondContact O-CD2 3.43Å; N2585-F2589 PolarHBondContact O-N 2.94Å |
| 2586 | L | 92.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -37.3 | 178.3 | -75.2 | 170.9 | 0 | 0 | 0 | 111.9 | L2540 L2543 L2545 I2560 F2563 L2564 L2582 N2590 | L2540-L2586 VanDerWaalsContact O-CD2 3.26Å; L2540-L2586 WeakPolarHBondContact O-CD2 3.32Å; L2543-L2586 HydrophobicContact CB-CD2 4.12Å; L2545-L2586 HydrophobicContact CD1-CD2 4.21Å; I2560-L2586 HydrophobicContact CD1-CB 4.12Å; I2560-L2586 HydrophobicContact CG1-CB 4.17Å; I2560-L2586 HydrophobicContact CG1-CD1 4.37Å; F2563-L2586 HydrophobicContact CD1-CD1 4.07Å; F2563-L2586 HydrophobicContact CE1-CD1 4.38Å; L2564-L2586 HydrophobicContact CD1-CD1 4.47Å; L2564-L2586 HydrophobicContact CD2-CD1 4.48Å; L2582-L2586 VanDerWaalsContact O-CB 3.28Å; L2582-L2586 WeakPolarHBondContact O-CB 3.38Å; L2582-L2586 VanDerWaalsContact O-CG 3.28Å; L2582-L2586 WeakPolarHBondContact O-CG 3.36Å; L2582-L2586 PolarHBondContact O-N 2.91Å; L2586-N2590 VanDerWaalsContact O-CB 3.31Å; L2586-N2590 WeakPolarHBondContact O-CB 3.16Å; L2586-N2590 PolarHBondContact O-ND2 3.19Å |
| 2587 | V | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.4 | -48 | 175 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | I2560 L2583 R2584 N2585 N2590 L2591 F2594 L2622 F2648 V2653 | I2560-V2587 HydrophobicContact CD1-CG2 4.18Å; L2583-V2587 HydrophobicContact CD1-CG2 4.27Å; L2583-V2587 WeakPolarHBondContact O-CG2 3.39Å; L2583-V2587 PolarHBondContact O-N 3.28Å; L2583-V2587 VanDerWaalsContact O-N 3.15Å; R2584-V2587 PolarHBondContact O-N 3.43Å; N2585-V2587 PolarHBondContact O-N 3.3Å; V2587-N2590 CarbonylContact O-C 3.56Å; V2587-N2590 VanDerWaalsContact O-C 3.27Å; V2587-N2590 PolarHBondContact O-N 3.25Å; V2587-L2591 PolarHBondContact O-N 3.37Å; V2587-L2591 VanDerWaalsContact O-N 3.09Å; V2587-F2594 HydrophobicContact CB-CE2 4.29Å; V2587-F2594 HydrophobicContact CG1-CD2 4.15Å; V2587-F2594 HydrophobicContact CG1-CE2 3.98Å; V2587-F2594 HydrophobicContact CG2-CE2 4.39Å; V2587-F2594 HydrophobicContact CG2-CZ 4.36Å; V2587-L2622 HydrophobicContact CG2-CD2 4.26Å; V2587-F2648 HydrophobicContact CB-CE1 3.59Å; V2587-F2648 HydrophobicContact CB-CZ 3.59Å; V2587-F2648 HydrophobicContact CG1-CD1 4.16Å; V2587-F2648 HydrophobicContact CG1-CE1 3.64Å; V2587-F2648 HydrophobicContact CG1-CZ 3.86Å; V2587-F2648 HydrophobicContact CG2-CE1 4.18Å; V2587-F2648 HydrophobicContact CG2-CE2 4.32Å; V2587-F2648 HydrophobicContact CG2-CZ 3.63Å; V2587-V2653 HydrophobicContact CG1-CG1 4.24Å; V2587-V2653 HydrophobicContact CG1-CG2 4.16Å |
| 2588 | V | 89.7 | Confident | 83.6 | Confident | 41 Ų | 41 | 41 Ų | 41 | 25% | 0.248 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.3 | -44.9 | -175.1 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | R2584 N2585 N2590 L2591 I2647 F2648 | R2584-V2588 HydrophobicContact CG-CG2 4.33Å; R2584-V2588 WeakPolarHBondContact O-CB 3.44Å; R2584-V2588 VanDerWaalsContact O-CG2 3.22Å; R2584-V2588 WeakPolarHBondContact O-CG2 3.25Å; R2584-V2588 PolarHBondContact O-N 3.48Å; N2585-V2588 PolarHBondContact O-N 3.17Å; V2588-N2590 PolarHBondContact O-N 2.94Å; V2588-L2591 WeakPolarHBondContact O-CB 3.34Å; V2588-L2591 PolarHBondContact O-N 3.29Å; V2588-I2647 HydrophobicContact CG2-CG2 3.88Å; V2588-F2648 HydrophobicContact CG2-CE1 4.41Å |
| 2589 | F | 87.3 | Confident | 81.2 | Confident | 127 Ų | 127 | 45.5 Ų | 45.5 | 56% | 0.557 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -19.4 | 176.3 | -84.5 | -86.6 | 0 | 0 | 0 | 112.7 | A2542 N2585 | A2542-F2589 HydrophobicContact CB-CD1 4.43Å; A2542-F2589 HydrophobicContact CB-CE1 4.31Å; A2542-F2589 HydrophobicContact CB-CZ 4.42Å; N2585-F2589 HydrophobicContact CB-CD2 4.07Å; N2585-F2589 HydrophobicContact CB-CE2 4.37Å; N2585-F2589 WeakPolarHBondContact O-CB 3.39Å; N2585-F2589 WeakPolarHBondContact O-CD2 3.43Å; N2585-F2589 PolarHBondContact O-N 2.94Å |
| 2590 | N | 88.4 | Confident | 78.5 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.011 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 27.9 | 177.1 | -64.9 | -75 | 0 | 0 | 0 | 112.6 | L2543 L2545 S2546 L2586 V2587 V2588 A2592 A2593 F2594 | L2543-N2590 PolarHBondContact O-ND2 3.29Å; L2545-N2590 PolarHBondContact N-OD1 3.43Å; S2546-N2590 PolarHBondContact N-OD1 2.71Å; L2586-N2590 VanDerWaalsContact O-CB 3.31Å; L2586-N2590 WeakPolarHBondContact O-CB 3.16Å; L2586-N2590 PolarHBondContact O-ND2 3.19Å; V2587-N2590 CarbonylContact O-C 3.56Å; V2587-N2590 VanDerWaalsContact O-C 3.27Å; V2587-N2590 PolarHBondContact O-N 3.25Å; V2588-N2590 PolarHBondContact O-N 2.94Å; N2590-A2592 PolarHBondContact O-N 3Å; N2590-A2592 VanDerWaalsContact O-N 3.12Å; N2590-A2593 WeakPolarHBondContact O-CB 3.42Å; N2590-A2593 PolarHBondContact O-N 3.15Å; N2590-F2594 HydrophobicContact CB-CE2 4.35Å; N2590-F2594 VanDerWaalsContact O-CD2 3.29Å; N2590-F2594 WeakPolarHBondContact O-CD2 3.49Å |
| 2591 | L | 86.1 | Confident | 75.9 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 31% | 0.314 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.7 | -35.7 | -177 | -175.8 | 62.8 | 0 | 0 | 0 | 113.2 | V2587 V2588 A2593 F2594 Y2595 V2651 V2653 | V2587-L2591 PolarHBondContact O-N 3.37Å; V2587-L2591 VanDerWaalsContact O-N 3.09Å; V2588-L2591 WeakPolarHBondContact O-CB 3.34Å; V2588-L2591 PolarHBondContact O-N 3.29Å; L2591-A2593 PolarHBondContact O-N 2.84Å; L2591-F2594 CarbonylContact O-C 3.53Å; L2591-F2594 PolarHBondContact O-N 3.48Å; L2591-Y2595 PolarHBondContact O-N 3.2Å; L2591-Y2595 VanDerWaalsContact O-N 3.1Å; L2591-V2651 HydrophobicContact CD1-CG1 3.43Å; L2591-V2651 VanDerWaalsContact CD1-CG1 3.43Å; L2591-V2651 HydrophobicContact CD2-CG1 3.3Å; L2591-V2651 HydrophobicContact CG-CG1 3.95Å; L2591-V2653 HydrophobicContact CD1-CG2 3.45Å; L2591-V2653 VanDerWaalsContact CD1-CG2 3.45Å |
| 2592 | A | 79.6 | Confident | 73.4 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 69% | 0.694 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59 | -28.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | N2590 F2594 | N2590-A2592 PolarHBondContact O-N 3Å; N2590-A2592 VanDerWaalsContact O-N 3.12Å; A2592-F2594 VanDerWaalsContact C-N 3.28Å; A2592-F2594 PolarHBondContact O-N 2.81Å |
| 2593 | A | 77.7 | Confident | 70.9 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69.2 | -28.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V2553 N2590 L2591 | V2553-A2593 WeakPolarHBondContact CG2-O 3.48Å; N2590-A2593 WeakPolarHBondContact O-CB 3.42Å; N2590-A2593 PolarHBondContact O-N 3.15Å; L2591-A2593 PolarHBondContact O-N 2.84Å |
| 2594 | F | 77 | Confident | 68.4 | Low | 22 Ų | 22 | 77.8 Ų | 77.8 | 10% | 0.096 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -98.1 | -2.3 | -178.5 | -55.6 | -75.1 | 0 | 0 | 0 | 112.8 | V2553 V2556 I2560 V2587 N2590 L2591 A2592 T2596 V2618 | V2553-F2594 HydrophobicContact CG1-CD1 3.83Å; V2553-F2594 HydrophobicContact CG1-CE1 4.1Å; V2556-F2594 HydrophobicContact CG1-CZ 3.92Å; I2560-F2594 HydrophobicContact CD1-CZ 4.13Å; V2587-F2594 HydrophobicContact CB-CE2 4.29Å; V2587-F2594 HydrophobicContact CG1-CD2 4.15Å; V2587-F2594 HydrophobicContact CG1-CE2 3.98Å; V2587-F2594 HydrophobicContact CG2-CE2 4.39Å; V2587-F2594 HydrophobicContact CG2-CZ 4.36Å; N2590-F2594 HydrophobicContact CB-CE2 4.35Å; N2590-F2594 VanDerWaalsContact O-CD2 3.29Å; N2590-F2594 WeakPolarHBondContact O-CD2 3.49Å; L2591-F2594 CarbonylContact O-C 3.53Å; L2591-F2594 PolarHBondContact O-N 3.48Å; A2592-F2594 VanDerWaalsContact C-N 3.28Å; A2592-F2594 PolarHBondContact O-N 2.81Å; F2594-T2596 PolarHBondContact O-N 3.31Å; F2594-V2618 HydrophobicContact CD1-CG1 3.85Å; F2594-V2618 HydrophobicContact CE1-CG1 4.24Å |
| 2595 | Y | 69.2 | Low | 66.1 | Low | 162 Ų | 162 | 82.3 Ų | 82.3 | 64% | 0.635 | 45% | 0.449 | S | S | * | . | trans | -77.1 | 113.2 | -179.7 | -173.2 | -95.2 | 0 | 0 | 0 | 110.7 | L2591 | L2591-Y2595 PolarHBondContact O-N 3.2Å; L2591-Y2595 VanDerWaalsContact O-N 3.1Å | ||
| 2596 | T | 60.8 | Low | 63.7 | Low | 27 Ų | 27 | 86.6 Ų | 86.6 | 17% | 0.166 | 48% | 0.484 | C | S | . | . | trans | -91.1 | 122 | 168.5 | 43 | 0 | 0 | 0 | 0 | 109.9 | F2594 K2598 D2615 | F2594-T2596 PolarHBondContact O-N 3.31Å; T2596-K2598 PolarHBondContact O-N 2.59Å; T2596-D2615 WeakPolarHBondContact CB-OD1 3.49Å; T2596-D2615 WeakPolarHBondContact CG2-OD1 3.43Å; T2596-D2615 PolarHBondContact OG1-OD1 2.94Å; T2596-D2615 PolarHBondContact OG1-OD2 3.25Å | ||
| 2597 | P | 53.4 | Low | 61.4 | Low | 89 Ų | 89 | 90.6 Ų | 90.6 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | trans | -63.5 | 122.2 | 174.8 | 24.2 | -30.2 | 0 | 0 | 0 | 109 | C2599 | P2597-C2599 PolarHBondContact O-N 3.2Š| ||
| 2598 | K | 49.5 | Very low | 59.1 | Low | 173 Ų | 173 | 95.2 Ų | 95.2 | 75% | 0.752 | 54% | 0.541 | S | S | * | . | trans | -65.9 | 90.8 | 161.1 | -70.2 | -176.5 | -178.7 | -179.9 | 0 | 106.4 | T2596 N2600 | T2596-K2598 PolarHBondContact O-N 2.59Å; K2598-N2600 VanDerWaalsContact C-N 3.29Å; K2598-N2600 PolarHBondContact O-N 3.47Å | ||
| 2599 | C | 42.9 | Very low | 57.1 | Low | 95 Ų | 95 | 98 Ų | 98 | 64% | 0.642 | 56% | 0.558 | S | S | * | * | trans | -66.9 | 95.8 | 176.5 | -146.6 | 0 | 0 | 0 | 0 | 107.2 | P2597 L2601 | P2597-C2599 PolarHBondContact O-N 3.2Å; C2599-L2601 PolarHBondContact O-N 3.38Å | ||
| 2600 | N | 39 | Very low | 55.1 | Low | 151 Ų | 151 | 96.7 Ų | 96.7 | 81% | 0.807 | 56% | 0.56 | S | S | * | * | trans | -74.4 | 27.2 | 170.7 | -75 | -9.8 | 0 | 0 | 0 | 111.3 | K2598 S2602 | K2598-N2600 VanDerWaalsContact C-N 3.29Å; K2598-N2600 PolarHBondContact O-N 3.47Å; N2600-S2602 PolarHBondContact O-N 3.42Å | ||
| 2601 | L | 40.9 | Very low | 53.4 | Low | 127 Ų | 127 | 98.5 Ų | 98.5 | 67% | 0.665 | 57% | 0.573 | S | S | * | * | trans | -83 | 111 | 170.6 | -129.8 | 73.9 | 0 | 0 | 0 | 107.3 | C2599 T2603 | C2599-L2601 PolarHBondContact O-N 3.38Å; L2601-T2603 PolarHBondContact O-N 3.34Å | ||
| 2602 | S | 41.5 | Very low | 52 | Low | 122 Ų | 122 | 100 Ų | 100 | 85% | 0.853 | 59% | 0.585 | S | S | * | * | trans | -65.8 | 43.9 | 179.2 | 49 | 0 | 0 | 0 | 0 | 113.7 | N2600 | N2600-S2602 PolarHBondContact O-N 3.42Š| ||
| 2603 | T | 41.7 | Very low | 51 | Low | 103 Ų | 103 | 98.6 Ų | 98.6 | 63% | 0.632 | 57% | 0.573 | S | S | * | * | trans | -123.8 | 105.1 | 179.3 | 52.6 | 0 | 0 | 0 | 0 | 109.4 | L2601 N2605 | L2601-T2603 PolarHBondContact O-N 3.34Å; T2603-N2605 VanDerWaalsContact C-N 3.27Å; T2603-N2605 PolarHBondContact O-N 3.44Å | ||
| 2604 | E | 43.9 | Very low | 50.1 | Low | 178 Ų | 178 | 100 Ų | 100 | 83% | 0.832 | 58% | 0.578 | S | S | * | * | trans | -63.4 | -4.1 | -164.7 | -81.5 | -179.9 | 140.3 | 0 | 0 | 117.9 | ||||
| 2605 | N | 43 | Very low | 49.6 | Very low | 146 Ų | 146 | 101.1 Ų | 101.1 | 78% | 0.781 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -127 | 114.5 | -162.4 | -64 | -36.3 | 0 | 0 | 0 | 113.7 | T2603 | T2603-N2605 VanDerWaalsContact C-N 3.27Å; T2603-N2605 PolarHBondContact O-N 3.44Å |
| 2606 | A | 43.2 | Very low | 49.8 | Very low | 91 Ų | 91 | 97 Ų | 97 | 75% | 0.752 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 107.3 | -14.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||
| 2607 | S | 44.4 | Very low | 50.8 | Low | 85 Ų | 85 | 97.9 Ų | 97.9 | 59% | 0.594 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -115.8 | 1 | -179.5 | 58.4 | 0 | 0 | 0 | 0 | 116.4 | ||
| 2608 | T | 42.2 | Very low | 52.3 | Low | 97 Ų | 97 | 94.1 Ų | 94.1 | 60% | 0.595 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -77.6 | -26.9 | 177.6 | 41.2 | 0 | 0 | 0 | 0 | 113.9 | T2612 | T2608-T2612 WeakPolarHBondContact O-CG2 3.27Å; T2608-T2612 PolarHBondContact O-N 3.31Å; T2608-T2612 PolarHBondContact O-OG1 3.05Å |
| 2609 | T | 46.9 | Very low | 54 | Low | 99 Ų | 99 | 86.8 Ų | 86.8 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.8 | -41.2 | -176.9 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | T2612 A2613 | T2609-T2612 PolarHBondContact O-OG1 2.96Å; T2609-A2613 WeakPolarHBondContact O-CB 3.31Å; T2609-A2613 PolarHBondContact O-N 3.49Å; T2609-A2613 VanDerWaalsContact O-N 3.13Å |
| 2610 | T | 46.7 | Very low | 56.2 | Low | 99 Ų | 99 | 89.9 Ų | 89.9 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.4 | -41.5 | -179.8 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | A2613 L2614 | T2610-A2613 PolarHBondContact O-N 3.29Å; T2610-L2614 PolarHBondContact O-N 3.42Å |
| 2611 | S | 51.5 | Low | 58.7 | Low | 40 Ų | 40 | 85.2 Ų | 85.2 | 28% | 0.28 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | -179.8 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | D2615 | S2611-D2615 PolarHBondContact O-N 2.98Å |
| 2612 | T | 56.9 | Low | 61.1 | Low | 93 Ų | 93 | 79.3 Ų | 79.3 | 57% | 0.571 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -72.3 | -36.8 | 177.4 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | T2608 T2609 S2616 | T2608-T2612 WeakPolarHBondContact O-CG2 3.27Å; T2608-T2612 PolarHBondContact O-N 3.31Å; T2608-T2612 PolarHBondContact O-OG1 3.05Å; T2609-T2612 PolarHBondContact O-OG1 2.96Å; T2612-S2616 WeakPolarHBondContact O-CB 3.14Å; T2612-S2616 PolarHBondContact O-N 3.09Å |
| 2613 | A | 58.2 | Low | 63.5 | Low | 53 Ų | 53 | 75.3 Ų | 75.3 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | T2609 T2610 S2616 S2617 | T2609-A2613 WeakPolarHBondContact O-CB 3.31Å; T2609-A2613 PolarHBondContact O-N 3.49Å; T2609-A2613 VanDerWaalsContact O-N 3.13Å; T2610-A2613 PolarHBondContact O-N 3.29Å; A2613-S2616 PolarHBondContact O-N 3.28Å; A2613-S2616 PolarHBondContact O-OG 2.99Å; A2613-S2617 PolarHBondContact O-N 2.81Å |
| 2614 | L | 59.2 | Low | 66 | Low | 48 Ų | 48 | 73.4 Ų | 73.4 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 178.6 | -172 | 67.6 | 0 | 0 | 0 | 112 | V2553 T2610 S2616 S2617 V2618 | V2553-L2614 HydrophobicContact CB-CD2 4.3Å; V2553-L2614 HydrophobicContact CG2-CD2 4.01Å; T2610-L2614 PolarHBondContact O-N 3.42Å; L2614-S2616 PolarHBondContact O-N 2.77Å; L2614-S2617 WeakPolarHBondContact O-CB 3.42Å; L2614-S2617 PolarHBondContact O-N 2.86Å; L2614-V2618 WeakPolarHBondContact O-CG2 3.46Å; L2614-V2618 PolarHBondContact O-N 3.48Å |
| 2615 | D | 67.1 | Low | 68.4 | Low | 45 Ų | 45 | 66.1 Ų | 66.1 | 24% | 0.241 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -52.9 | -45.1 | 173.1 | -100.3 | 24.5 | 0 | 0 | 0 | 110.9 | T2596 S2611 S2617 N2619 K2655 | T2596-D2615 WeakPolarHBondContact CB-OD1 3.49Å; T2596-D2615 WeakPolarHBondContact CG2-OD1 3.43Å; T2596-D2615 PolarHBondContact OG1-OD1 2.94Å; T2596-D2615 PolarHBondContact OG1-OD2 3.25Å; S2611-D2615 PolarHBondContact O-N 2.98Å; D2615-S2617 VanDerWaalsContact C-N 3.35Å; D2615-S2617 PolarHBondContact O-N 3.34Å; D2615-N2619 VanDerWaalsContact O-CB 3.23Å; D2615-N2619 WeakPolarHBondContact O-CB 3.33Å; D2615-N2619 PolarHBondContact O-N 3.32Å; D2615-N2619 VanDerWaalsContact O-N 3.14Å; D2615-K2655 IonicContact OD2-NZ 3.54Å; D2615-K2655 PolarHBondContact OD2-NZ 2.92Å |
| 2616 | S | 73.7 | Confident | 70.9 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 53% | 0.531 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.4 | -35.7 | 179.1 | 80.9 | 0 | 0 | 0 | 0 | 112.7 | T2612 A2613 L2614 K2620 | T2612-S2616 WeakPolarHBondContact O-CB 3.14Å; T2612-S2616 PolarHBondContact O-N 3.09Å; A2613-S2616 PolarHBondContact O-N 3.28Å; A2613-S2616 PolarHBondContact O-OG 2.99Å; L2614-S2616 PolarHBondContact O-N 2.77Å; S2616-K2620 WeakPolarHBondContact O-CB 3.47Å; S2616-K2620 PolarHBondContact O-N 3.43Å |
| 2617 | S | 81.9 | Confident | 73.4 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 32% | 0.315 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.8 | -49.9 | 179.9 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | A2613 L2614 D2615 N2619 K2620 R2621 | A2613-S2617 PolarHBondContact O-N 2.81Å; L2614-S2617 WeakPolarHBondContact O-CB 3.42Å; L2614-S2617 PolarHBondContact O-N 2.86Å; D2615-S2617 VanDerWaalsContact C-N 3.35Å; D2615-S2617 PolarHBondContact O-N 3.34Å; S2617-N2619 VanDerWaalsContact C-N 3.35Å; S2617-N2619 PolarHBondContact O-N 3.24Å; S2617-K2620 PolarHBondContact O-N 3.23Å; S2617-R2621 WeakPolarHBondContact O-CB 3.17Å; S2617-R2621 WeakPolarHBondContact O-CG 3.34Å; S2617-R2621 PolarHBondContact O-N 3.44Å |
| 2618 | V | 85 | Confident | 75.8 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 178.2 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | V2553 L2557 F2594 L2614 K2620 R2621 L2622 | V2553-V2618 HydrophobicContact CG1-CG2 3.74Å; L2557-V2618 HydrophobicContact CD2-CB 4.39Å; L2557-V2618 HydrophobicContact CD2-CG1 4.33Å; L2557-V2618 HydrophobicContact CD2-CG2 4.26Å; F2594-V2618 HydrophobicContact CD1-CG1 3.85Å; F2594-V2618 HydrophobicContact CE1-CG1 4.24Å; L2614-V2618 WeakPolarHBondContact O-CG2 3.46Å; L2614-V2618 PolarHBondContact O-N 3.48Å; V2618-K2620 PolarHBondContact O-N 3.29Å; V2618-R2621 PolarHBondContact O-N 3.47Å; V2618-L2622 HydrophobicContact CG1-CD1 3.96Å; V2618-L2622 HydrophobicContact CG1-CG 4.45Å; V2618-L2622 WeakPolarHBondContact O-CG 3.47Å; V2618-L2622 PolarHBondContact O-N 3.18Å |
| 2619 | N | 85.1 | Confident | 78.4 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | -179.5 | -165.6 | -16.2 | 0 | 0 | 0 | 111.3 | D2615 S2617 R2621 R2623 | D2615-N2619 VanDerWaalsContact O-CB 3.23Å; D2615-N2619 WeakPolarHBondContact O-CB 3.33Å; D2615-N2619 PolarHBondContact O-N 3.32Å; D2615-N2619 VanDerWaalsContact O-N 3.14Å; S2617-N2619 VanDerWaalsContact C-N 3.35Å; S2617-N2619 PolarHBondContact O-N 3.24Å; N2619-R2621 PolarHBondContact O-N 3.3Å; N2619-R2623 PolarHBondContact ND2-NH2 3.15Å; N2619-R2623 VanDerWaalsContact O-CB 3.26Å; N2619-R2623 WeakPolarHBondContact O-CB 3.22Å; N2619-R2623 WeakPolarHBondContact O-CG 3.26Å; N2619-R2623 PolarHBondContact O-N 3.03Å; N2619-R2623 WeakPolarHBondContact OD1-CD 3.47Å; N2619-R2623 WeakPolarHBondContact OD1-CG 3.43Å; N2619-R2623 VanDerWaalsContact OD1-CZ 3.24Å; N2619-R2623 PolarHBondContact OD1-NE 3.43Å; N2619-R2623 PolarHBondContact OD1-NH2 2.98Å |
| 2620 | K | 87.8 | Confident | 80.8 | Confident | 160 Ų | 160 | 52 Ų | 52 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.4 | -42.9 | 176.3 | -175.3 | 178.3 | 179.3 | -177.7 | 0 | 112.5 | S2616 S2617 V2618 S2624 | S2616-K2620 WeakPolarHBondContact O-CB 3.47Å; S2616-K2620 PolarHBondContact O-N 3.43Å; S2617-K2620 PolarHBondContact O-N 3.23Å; V2618-K2620 PolarHBondContact O-N 3.29Å; K2620-S2624 WeakPolarHBondContact O-CB 3.26Å; K2620-S2624 PolarHBondContact O-N 3.47Å |
| 2621 | R | 91.8 | Very high | 83.1 | Confident | 53 Ų | 53 | 48.4 Ų | 48.4 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -50.5 | 179 | -80.1 | 178.2 | 71.8 | 177.4 | 10.8 | 112.3 | L2557 S2558 E2561 S2617 V2618 N2619 R2623 S2624 T2625 | L2557-R2621 HydrophobicContact CD2-CB 3.79Å; L2557-R2621 HydrophobicContact CD2-CG 4.27Å; S2558-R2621 VanDerWaalsContact CA-NH2 3.32Å; S2558-R2621 PolarHBondContact OG-NH2 3.06Å; E2561-R2621 WeakPolarHBondContact OE1-CB 3.39Å; E2561-R2621 IonicContact OE1-CZ 3.96Å; E2561-R2621 IonicContact OE1-NE 2.93Å; E2561-R2621 PolarHBondContact OE1-NE 3.37Å; E2561-R2621 IonicContact OE1-NH2 3.28Å; E2561-R2621 PolarHBondContact OE1-NH2 3.03Å; E2561-R2621 IonicContact OE2-CZ 3.33Å; E2561-R2621 IonicContact OE2-NE 2.79Å; E2561-R2621 PolarHBondContact OE2-NE 3.29Å; E2561-R2621 IonicContact OE2-NH2 3.26Å; E2561-R2621 PolarHBondContact OE2-NH2 2.89Å; S2617-R2621 WeakPolarHBondContact O-CB 3.17Å; S2617-R2621 WeakPolarHBondContact O-CG 3.34Å; S2617-R2621 PolarHBondContact O-N 3.44Å; V2618-R2621 PolarHBondContact O-N 3.47Å; N2619-R2621 PolarHBondContact O-N 3.3Å; R2621-R2623 PolarHBondContact O-N 2.92Å; R2621-S2624 WeakPolarHBondContact O-CB 3.49Å; R2621-S2624 PolarHBondContact O-N 3.37Å; R2621-S2624 VanDerWaalsContact O-N 3.15Å; R2621-T2625 PolarHBondContact O-N 3.22Å; R2621-T2625 PolarHBondContact O-OG1 2.95Å |
| 2622 | L | 92.2 | Very high | 85.1 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.8 | -69.7 | 176.6 | 0 | 0 | 0 | 112 | L2557 L2583 V2587 V2618 S2624 T2625 L2626 F2648 V2653 I2654 | L2557-L2622 HydrophobicContact CD1-CD2 3.81Å; L2557-L2622 HydrophobicContact CD1-CG 4.23Å; L2583-L2622 HydrophobicContact CD1-CD2 4.33Å; V2587-L2622 HydrophobicContact CG2-CD2 4.26Å; V2618-L2622 HydrophobicContact CG1-CD1 3.96Å; V2618-L2622 HydrophobicContact CG1-CG 4.45Å; V2618-L2622 WeakPolarHBondContact O-CG 3.47Å; V2618-L2622 PolarHBondContact O-N 3.18Å; L2622-S2624 VanDerWaalsContact C-N 3.34Å; L2622-S2624 PolarHBondContact O-N 3.44Å; L2622-T2625 PolarHBondContact O-N 3.31Å; L2622-L2626 WeakPolarHBondContact O-CB 3.4Å; L2622-L2626 WeakPolarHBondContact O-CG 3.42Å; L2622-L2626 PolarHBondContact O-N 3.4Å; L2622-F2648 HydrophobicContact CD1-CD2 4.41Å; L2622-F2648 HydrophobicContact CD1-CE2 4.4Å; L2622-F2648 HydrophobicContact CD2-CE2 4.21Å; L2622-V2653 HydrophobicContact CD1-CG1 3.52Å; L2622-I2654 HydrophobicContact CB-CD1 4.17Å |
| 2623 | R | 91.9 | Very high | 86.7 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 14% | 0.143 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -43 | 174.1 | -76.4 | 179 | -175.2 | 169.6 | 5.1 | 111.8 | N2619 R2621 L2626 W2627 I2654 K2655 D2657 W2660 | N2619-R2623 PolarHBondContact ND2-NH2 3.15Å; N2619-R2623 VanDerWaalsContact O-CB 3.26Å; N2619-R2623 WeakPolarHBondContact O-CB 3.22Å; N2619-R2623 WeakPolarHBondContact O-CG 3.26Å; N2619-R2623 PolarHBondContact O-N 3.03Å; N2619-R2623 WeakPolarHBondContact OD1-CD 3.47Å; N2619-R2623 WeakPolarHBondContact OD1-CG 3.43Å; N2619-R2623 VanDerWaalsContact OD1-CZ 3.24Å; N2619-R2623 PolarHBondContact OD1-NE 3.43Å; N2619-R2623 PolarHBondContact OD1-NH2 2.98Å; R2621-R2623 PolarHBondContact O-N 2.92Å; R2623-L2626 PolarHBondContact O-N 2.82Å; R2623-W2627 WeakPolarHBondContact O-CB 3.36Å; R2623-W2627 PolarHBondContact O-N 3.32Å; R2623-I2654 HydrophobicContact CG-CD1 4.33Å; R2623-K2655 PolarHBondContact NH2-O 3.49Å; R2623-D2657 IonicContact CZ-OD2 3.5Å; R2623-D2657 IonicContact NH1-OD2 3.6Å; R2623-D2657 PolarHBondContact NH1-OD2 3.36Å; R2623-D2657 VanDerWaalsContact NH2-CB 3.32Å; R2623-W2660 HydrophobicContact CG-CH2 4.4Å |
| 2624 | S | 92.9 | Very high | 88.3 | Confident | 62 Ų | 62 | 48.2 Ų | 48.2 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 178.9 | -174.5 | 0 | 0 | 0 | 0 | 112 | K2620 R2621 L2622 W2627 K2628 | K2620-S2624 WeakPolarHBondContact O-CB 3.26Å; K2620-S2624 PolarHBondContact O-N 3.47Å; R2621-S2624 WeakPolarHBondContact O-CB 3.49Å; R2621-S2624 PolarHBondContact O-N 3.37Å; R2621-S2624 VanDerWaalsContact O-N 3.15Å; L2622-S2624 VanDerWaalsContact C-N 3.34Å; L2622-S2624 PolarHBondContact O-N 3.44Å; S2624-W2627 PolarHBondContact O-N 3.44Å; S2624-K2628 PolarHBondContact O-N 2.9Å |
| 2625 | T | 94.3 | Very high | 89.8 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -48 | 176.8 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | L2568 L2583 R2621 L2622 W2627 K2628 C2629 | L2568-T2625 HydrophobicContact CD1-CG2 3.79Å; L2583-T2625 HydrophobicContact CD2-CG2 4.28Å; R2621-T2625 PolarHBondContact O-N 3.22Å; R2621-T2625 PolarHBondContact O-OG1 2.95Å; L2622-T2625 PolarHBondContact O-N 3.31Å; T2625-W2627 VanDerWaalsContact C-N 3.34Å; T2625-W2627 PolarHBondContact O-N 3.32Å; T2625-K2628 PolarHBondContact O-N 3.45Å; T2625-C2629 PolarHBondContact O-N 3.39Å |
| 2626 | L | 96.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 178.6 | -73.5 | 168 | 0 | 0 | 0 | 112.6 | L2580 L2583 L2622 R2623 K2628 C2629 L2630 V2644 L2645 F2648 I2654 | L2580-L2626 HydrophobicContact CD2-CD2 4.22Å; L2583-L2626 HydrophobicContact CD2-CD2 4.01Å; L2583-L2626 HydrophobicContact CD2-CG 4.4Å; L2622-L2626 WeakPolarHBondContact O-CB 3.4Å; L2622-L2626 WeakPolarHBondContact O-CG 3.42Å; L2622-L2626 PolarHBondContact O-N 3.4Å; R2623-L2626 PolarHBondContact O-N 2.82Å; L2626-K2628 VanDerWaalsContact C-N 3.32Å; L2626-K2628 PolarHBondContact O-N 2.93Å; L2626-C2629 CarbonylContact O-C 3.52Å; L2626-C2629 PolarHBondContact O-N 3.01Å; L2626-C2629 VanDerWaalsContact O-N 3.1Å; L2626-L2630 WeakPolarHBondContact O-CB 3.37Å; L2626-L2630 WeakPolarHBondContact O-CG 3.28Å; L2626-L2630 PolarHBondContact O-N 3.23Å; L2626-V2644 HydrophobicContact CD2-CB 4.2Å; L2626-V2644 HydrophobicContact CD2-CG1 3.83Å; L2626-L2645 HydrophobicContact CD1-CB 4.06Å; L2626-L2645 HydrophobicContact CD1-CD1 3.84Å; L2626-L2645 HydrophobicContact CD1-CG 4.49Å; L2626-F2648 HydrophobicContact CD1-CD2 3.75Å; L2626-F2648 HydrophobicContact CD1-CE2 4.05Å; L2626-I2654 HydrophobicContact CD1-CD1 3.88Å |
| 2627 | W | 95.8 | Very high | 91.8 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 26% | 0.258 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 176.5 | -177.9 | -103.4 | 0 | 0 | 0 | 112.2 | R2623 S2624 T2625 C2629 L2630 N2631 L2664 A2712 | R2623-W2627 WeakPolarHBondContact O-CB 3.36Å; R2623-W2627 PolarHBondContact O-N 3.32Å; S2624-W2627 PolarHBondContact O-N 3.44Å; T2625-W2627 VanDerWaalsContact C-N 3.34Å; T2625-W2627 PolarHBondContact O-N 3.32Å; W2627-C2629 VanDerWaalsContact C-N 3.26Å; W2627-C2629 PolarHBondContact O-N 3.24Å; W2627-L2630 PolarHBondContact O-N 3.44Å; W2627-N2631 WeakPolarHBondContact O-CB 3.38Å; W2627-N2631 PolarHBondContact O-N 3.28Å; W2627-L2664 HydrophobicContact CH2-CD2 4.1Å; W2627-L2664 HydrophobicContact CZ3-CD2 3.62Å; W2627-A2712 HydrophobicContact CH2-CB 4.43Å |
| 2628 | K | 94.5 | Very high | 92.5 | Very high | 143 Ų | 143 | 45.7 Ų | 45.7 | 62% | 0.622 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.7 | -38.6 | 175 | -68.3 | 174.5 | -177.7 | 175.8 | 0 | 111.6 | S2624 T2625 L2626 N2631 D2632 | S2624-K2628 PolarHBondContact O-N 2.9Å; T2625-K2628 PolarHBondContact O-N 3.45Å; L2626-K2628 VanDerWaalsContact C-N 3.32Å; L2626-K2628 PolarHBondContact O-N 2.93Å; K2628-N2631 CarbonylContact O-C 3.07Å; K2628-D2632 PolarHBondContact O-N 2.87Å |
| 2629 | C | 96.7 | Very high | 92.9 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -80.4 | -33 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | L2580 T2625 L2626 W2627 N2631 D2632 S2638 A2641 | L2580-C2629 HydrophobicContact CD1-CB 4.2Å; L2580-C2629 HydrophobicContact CD2-CB 3.81Å; L2580-C2629 HydrophobicContact CG-CB 4.42Å; T2625-C2629 PolarHBondContact O-N 3.39Å; L2626-C2629 CarbonylContact O-C 3.52Å; L2626-C2629 PolarHBondContact O-N 3.01Å; L2626-C2629 VanDerWaalsContact O-N 3.1Å; W2627-C2629 VanDerWaalsContact C-N 3.26Å; W2627-C2629 PolarHBondContact O-N 3.24Å; C2629-N2631 PolarHBondContact O-N 3.34Å; C2629-D2632 WeakPolarHBondContact O-CB 3.47Å; C2629-D2632 PolarHBondContact O-N 3.47Å; C2629-S2638 VanDerWaalsContact O-CA 3.32Å; C2629-S2638 WeakPolarHBondContact O-CA 3.25Å; C2629-A2641 HydrophobicContact CB-CB 3.69Å |
| 2630 | L | 96.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -31.3 | 171.2 | -74.3 | 167.3 | 0 | 0 | 0 | 111.3 | L2626 W2627 D2632 S2638 A2641 M2642 L2645 A2712 L2715 A2716 | L2626-L2630 WeakPolarHBondContact O-CB 3.37Å; L2626-L2630 WeakPolarHBondContact O-CG 3.28Å; L2626-L2630 PolarHBondContact O-N 3.23Å; W2627-L2630 PolarHBondContact O-N 3.44Å; L2630-D2632 VanDerWaalsContact C-N 3.32Å; L2630-S2638 WeakPolarHBondContact O-CB 3.21Å; L2630-A2641 HydrophobicContact CD2-CB 4.03Å; L2630-A2641 HydrophobicContact CG-CB 4.09Å; L2630-M2642 HydrophobicContact CD2-CB 4.17Å; L2630-L2645 HydrophobicContact CD1-CD2 3.97Å; L2630-A2712 HydrophobicContact CB-CB 4.12Å; L2630-A2712 WeakPolarHBondContact O-CB 3.36Å; L2630-L2715 HydrophobicContact CD2-CB 3.75Å; L2630-L2715 HydrophobicContact CD2-CD1 4.28Å; L2630-A2716 HydrophobicContact CD1-CB 4.09Å |
| 2631 | N | 94.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 20.8 | 176.8 | -151.2 | -7.4 | 0 | 0 | 0 | 112.6 | W2627 K2628 C2629 R2708 N2709 A2712 | W2627-N2631 WeakPolarHBondContact O-CB 3.38Å; W2627-N2631 PolarHBondContact O-N 3.28Å; K2628-N2631 CarbonylContact O-C 3.07Å; C2629-N2631 PolarHBondContact O-N 3.34Å; N2631-R2708 WeakPolarHBondContact O-CD 3.46Å; N2631-R2708 PolarHBondContact O-NH1 3.09Å; N2631-R2708 WeakPolarHBondContact OD1-CD 3.34Å; N2631-R2708 WeakPolarHBondContact OD1-CG 3.42Å; N2631-R2708 PolarHBondContact OD1-NE 3.17Å; N2631-N2709 PolarHBondContact ND2-OD1 3.31Å; N2631-N2709 PolarHBondContact OD1-OD1 3.22Å; N2631-A2712 HydrophobicContact CB-CB 4.07Å |
| 2632 | D | 94.8 | Very high | 94 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | trans | -63 | 152.6 | 176.1 | -163.1 | -75.7 | 0 | 0 | 0 | 111 | R2576 K2628 C2629 L2630 L2634 V2637 R2708 | R2576-D2632 IonicContact CZ-OD1 3.92Å; R2576-D2632 IonicContact CZ-OD2 2.81Å; R2576-D2632 IonicContact NE-OD1 3.75Å; R2576-D2632 IonicContact NE-OD2 3.63Å; R2576-D2632 PolarHBondContact NE-OD2 3.04Å; R2576-D2632 IonicContact NH2-OD1 3.05Å; R2576-D2632 PolarHBondContact NH2-OD1 3.25Å; R2576-D2632 IonicContact NH2-OD2 3.86Å; K2628-D2632 PolarHBondContact O-N 2.87Å; C2629-D2632 WeakPolarHBondContact O-CB 3.47Å; C2629-D2632 PolarHBondContact O-N 3.47Å; L2630-D2632 VanDerWaalsContact C-N 3.32Å; D2632-L2634 PolarHBondContact O-N 2.81Å; D2632-L2634 PolarHBondContact OD1-N 3.32Å; D2632-V2637 HydrophobicContact CB-CB 3.95Å; D2632-V2637 HydrophobicContact CB-CG1 3.93Å; D2632-V2637 WeakPolarHBondContact OD2-CG1 3.48Å; D2632-R2708 WeakPolarHBondContact O-CD 3.45Å | ||
| 2633 | S | 90.4 | Very high | 94.1 | Very high | 94 Ų | 94 | 37.2 Ų | 37.2 | 66% | 0.657 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -67.5 | -24.7 | 178.3 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 2634 | L | 92.7 | Very high | 94.3 | Very high | 65 Ų | 65 | 35.4 Ų | 35.4 | 34% | 0.34 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -104.4 | 136.2 | -179.9 | -73.6 | 168.9 | 0 | 0 | 0 | 111.7 | W2573 D2632 E2636 V2637 S2638 | W2573-L2634 HydrophobicContact CB-CD1 3.39Å; W2573-L2634 HydrophobicContact CG-CD1 3.88Å; D2632-L2634 PolarHBondContact O-N 2.81Å; D2632-L2634 PolarHBondContact OD1-N 3.32Å; L2634-E2636 VanDerWaalsContact C-N 3.3Å; L2634-E2636 PolarHBondContact O-N 3.48Å; L2634-V2637 HydrophobicContact CB-CG2 4.44Å; L2634-V2637 PolarHBondContact O-N 3.46Å; L2634-S2638 PolarHBondContact O-N 3.22Å; L2634-S2638 PolarHBondContact O-OG 3.25Å |
| 2635 | I | 89.2 | Confident | 94.5 | Very high | 69 Ų | 69 | 32.6 Ų | 32.6 | 35% | 0.354 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.9 | -34.2 | -175.3 | -62.7 | 171.4 | 0 | 0 | 0 | 110.7 | V2637 S2638 Q2639 Y2711 | I2635-V2637 VanDerWaalsContact C-N 3.32Å; I2635-V2637 PolarHBondContact O-N 3.43Å; I2635-S2638 WeakPolarHBondContact CA-OG 3.1Å; I2635-S2638 PolarHBondContact O-N 3.21Å; I2635-S2638 PolarHBondContact O-OG 3.02Å; I2635-Q2639 HydrophobicContact CG2-CG 4.07Å; I2635-Q2639 WeakPolarHBondContact O-CB 3.34Å; I2635-Q2639 VanDerWaalsContact O-CG 3.32Å; I2635-Q2639 WeakPolarHBondContact O-CG 3.33Å; I2635-Q2639 PolarHBondContact O-N 2.74Å; I2635-Y2711 HydrophobicContact CG1-CE1 4.42Å; I2635-Y2711 HydrophobicContact CG2-CE1 4.11Å; I2635-Y2711 WeakPolarHBondContact CG2-OH 3.43Å |
| 2636 | E | 89.1 | Confident | 94.6 | Very high | 89 Ų | 89 | 31.5 Ų | 31.5 | 42% | 0.416 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 178.7 | -63.1 | 84.7 | 169.1 | 0 | 0 | 111.4 | W2573 L2634 V2640 | W2573-E2636 HydrophobicContact CD2-CB 4.46Å; W2573-E2636 HydrophobicContact CE3-CB 3.82Å; W2573-E2636 HydrophobicContact CE3-CG 4.46Å; W2573-E2636 HydrophobicContact CH2-CB 4.46Å; W2573-E2636 HydrophobicContact CH2-CG 4.42Å; W2573-E2636 HydrophobicContact CZ3-CB 3.83Å; W2573-E2636 HydrophobicContact CZ3-CG 4.27Å; L2634-E2636 VanDerWaalsContact C-N 3.3Å; L2634-E2636 PolarHBondContact O-N 3.48Å; E2636-V2640 VanDerWaalsContact O-CG2 3.23Å; E2636-V2640 WeakPolarHBondContact O-CG2 3.44Å; E2636-V2640 PolarHBondContact O-N 3.13Å; E2636-V2640 VanDerWaalsContact O-N 3.14Å |
| 2637 | V | 93.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.9 | -44.1 | -179.5 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | W2573 R2576 L2580 D2632 L2634 I2635 Q2639 V2640 A2641 | W2573-V2637 HydrophobicContact CB-CG2 3.8Å; R2576-V2637 HydrophobicContact CB-CG1 4.06Å; R2576-V2637 HydrophobicContact CB-CG2 4.15Å; L2580-V2637 HydrophobicContact CD1-CG1 3.69Å; L2580-V2637 WeakPolarHBondContact CD1-O 3.45Å; D2632-V2637 HydrophobicContact CB-CB 3.95Å; D2632-V2637 HydrophobicContact CB-CG1 3.93Å; D2632-V2637 WeakPolarHBondContact OD2-CG1 3.48Å; L2634-V2637 HydrophobicContact CB-CG2 4.44Å; L2634-V2637 PolarHBondContact O-N 3.46Å; I2635-V2637 VanDerWaalsContact C-N 3.32Å; I2635-V2637 PolarHBondContact O-N 3.43Å; V2637-Q2639 PolarHBondContact O-N 3.02Å; V2637-V2640 PolarHBondContact O-N 3Å; V2637-A2641 PolarHBondContact O-N 2.95Å |
| 2638 | S | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 179.8 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | C2629 L2630 L2634 I2635 A2641 M2642 | C2629-S2638 VanDerWaalsContact O-CA 3.32Å; C2629-S2638 WeakPolarHBondContact O-CA 3.25Å; L2630-S2638 WeakPolarHBondContact O-CB 3.21Å; L2634-S2638 PolarHBondContact O-N 3.22Å; L2634-S2638 PolarHBondContact O-OG 3.25Å; I2635-S2638 WeakPolarHBondContact CA-OG 3.1Å; I2635-S2638 PolarHBondContact O-N 3.21Å; I2635-S2638 PolarHBondContact O-OG 3.02Å; S2638-A2641 WeakPolarHBondContact O-CB 3.23Å; S2638-A2641 PolarHBondContact O-N 3.02Å; S2638-M2642 PolarHBondContact O-N 2.75Å |
| 2639 | Q | 94.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 23.4 Ų | 23.4 | 16% | 0.159 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67 | -39.2 | 172 | -72.7 | -177.8 | 11.2 | 0 | 0 | 112.7 | N2509 I2635 V2637 A2641 M2642 F2643 Y2711 L2715 I2752 | N2509-Q2639 PolarHBondContact ND2-OE1 3.28Å; I2635-Q2639 HydrophobicContact CG2-CG 4.07Å; I2635-Q2639 WeakPolarHBondContact O-CB 3.34Å; I2635-Q2639 VanDerWaalsContact O-CG 3.32Å; I2635-Q2639 WeakPolarHBondContact O-CG 3.33Å; I2635-Q2639 PolarHBondContact O-N 2.74Å; V2637-Q2639 PolarHBondContact O-N 3.02Å; Q2639-A2641 VanDerWaalsContact C-N 3.27Å; Q2639-A2641 PolarHBondContact O-N 3.5Å; Q2639-M2642 WeakPolarHBondContact O-CB 3.35Å; Q2639-M2642 PolarHBondContact O-N 3.12Å; Q2639-F2643 WeakPolarHBondContact O-CD2 3.48Å; Q2639-F2643 PolarHBondContact O-N 3.03Å; Q2639-Y2711 PolarHBondContact NE2-OH 3.48Å; Q2639-L2715 HydrophobicContact CG-CD2 4.41Å; Q2639-I2752 HydrophobicContact CG-CD1 4.4Å |
| 2640 | V | 93.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.024 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 172.9 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | F2506 A2577 L2580 L2581 E2636 V2637 M2642 F2643 V2644 | F2506-V2640 HydrophobicContact CD1-CG2 3.84Å; F2506-V2640 HydrophobicContact CE1-CB 4.3Å; F2506-V2640 HydrophobicContact CE1-CG1 4.16Å; F2506-V2640 HydrophobicContact CE1-CG2 4.12Å; A2577-V2640 HydrophobicContact CB-CG2 4.36Å; L2580-V2640 HydrophobicContact CB-CG1 3.72Å; L2580-V2640 HydrophobicContact CD1-CB 4.01Å; L2580-V2640 HydrophobicContact CD1-CG1 3.88Å; L2580-V2640 HydrophobicContact CG-CG1 4.47Å; L2581-V2640 HydrophobicContact CD2-CG1 4.37Å; L2581-V2640 HydrophobicContact CG-CG1 4.45Å; E2636-V2640 VanDerWaalsContact O-CG2 3.23Å; E2636-V2640 WeakPolarHBondContact O-CG2 3.44Å; E2636-V2640 PolarHBondContact O-N 3.13Å; E2636-V2640 VanDerWaalsContact O-N 3.14Å; V2637-V2640 PolarHBondContact O-N 3Å; V2640-M2642 PolarHBondContact O-N 3.28Å; V2640-F2643 PolarHBondContact O-N 3.4Å; V2640-V2644 HydrophobicContact CG1-CG2 4.33Å; V2640-V2644 VanDerWaalsContact O-CG2 3.25Å; V2640-V2644 WeakPolarHBondContact O-CG2 3.27Å; V2640-V2644 PolarHBondContact O-N 2.97Å |
| 2641 | A | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2580 C2629 L2630 V2637 S2638 Q2639 F2643 V2644 L2645 | L2580-A2641 HydrophobicContact CD1-CB 3.9Å; L2580-A2641 HydrophobicContact CD2-CB 4.03Å; C2629-A2641 HydrophobicContact CB-CB 3.69Å; L2630-A2641 HydrophobicContact CD2-CB 4.03Å; L2630-A2641 HydrophobicContact CG-CB 4.09Å; V2637-A2641 PolarHBondContact O-N 2.95Å; S2638-A2641 WeakPolarHBondContact O-CB 3.23Å; S2638-A2641 PolarHBondContact O-N 3.02Å; Q2639-A2641 VanDerWaalsContact C-N 3.27Å; Q2639-A2641 PolarHBondContact O-N 3.5Å; A2641-F2643 VanDerWaalsContact C-N 3.35Å; A2641-F2643 PolarHBondContact O-N 3.41Å; A2641-V2644 PolarHBondContact O-N 2.84Å; A2641-L2645 WeakPolarHBondContact O-CB 3.37Å; A2641-L2645 PolarHBondContact O-N 3.04Å |
| 2642 | M | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.1 | -47.6 | 173.4 | 175 | -168.8 | 72.5 | 0 | 0 | 111.6 | L2630 S2638 Q2639 V2640 L2645 A2646 L2715 C2718 S2719 I2752 | L2630-M2642 HydrophobicContact CD2-CB 4.17Å; S2638-M2642 PolarHBondContact O-N 2.75Å; Q2639-M2642 WeakPolarHBondContact O-CB 3.35Å; Q2639-M2642 PolarHBondContact O-N 3.12Å; V2640-M2642 PolarHBondContact O-N 3.28Å; M2642-L2645 PolarHBondContact O-N 3.28Å; M2642-A2646 WeakPolarHBondContact O-CB 3.38Å; M2642-A2646 PolarHBondContact O-N 3.18Å; M2642-L2715 HydrophobicContact CB-CB 4.26Å; M2642-L2715 HydrophobicContact CB-CD2 4.21Å; M2642-L2715 HydrophobicContact CG-CB 4.48Å; M2642-L2715 HydrophobicContact CG-CD2 4.37Å; M2642-L2715 WeakPolarHBondContact CG-O 3.38Å; M2642-L2715 HydrophobicContact SD-CD2 3.64Å; M2642-C2718 HydrophobicContact CG-CB 4.43Å; M2642-C2718 HydrophobicContact SD-CB 3.62Å; M2642-S2719 VanDerWaalsContact O-CB 3.32Å; M2642-S2719 WeakPolarHBondContact O-CB 3.32Å; M2642-I2752 HydrophobicContact CE-CD1 4.2Å; M2642-I2752 HydrophobicContact SD-CD1 4.43Å; M2642-I2752 HydrophobicContact SD-CG1 4.39Å |
| 2643 | F | 95.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 13% | 0.132 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.1 | -34.7 | 179.9 | -72.8 | -65 | 0 | 0 | 0 | 112.8 | I2505 F2506 Q2639 V2640 A2641 L2645 A2646 I2647 H2722 | I2505-F2643 HydrophobicContact CG2-CE1 4.4Å; I2505-F2643 HydrophobicContact CG2-CZ 4.42Å; F2506-F2643 HydrophobicContact CD1-CD2 4.08Å; F2506-F2643 HydrophobicContact CE1-CB 3.57Å; F2506-F2643 AromaticContact CE1-CD2 3.52Å; F2506-F2643 HydrophobicContact CE1-CD2 3.52Å; F2506-F2643 AromaticContact CE1-CG 3.84Å; F2506-F2643 HydrophobicContact CE1-CG 3.84Å; F2506-F2643 HydrophobicContact CZ-CB 3.55Å; F2506-F2643 HydrophobicContact CZ-CD2 4.21Å; F2506-F2643 HydrophobicContact CZ-CG 4.09Å; Q2639-F2643 WeakPolarHBondContact O-CD2 3.48Å; Q2639-F2643 PolarHBondContact O-N 3.03Å; V2640-F2643 PolarHBondContact O-N 3.4Å; A2641-F2643 VanDerWaalsContact C-N 3.35Å; A2641-F2643 PolarHBondContact O-N 3.41Å; F2643-L2645 VanDerWaalsContact C-N 3.33Å; F2643-A2646 WeakPolarHBondContact O-CB 3.4Å; F2643-A2646 PolarHBondContact O-N 2.81Å; F2643-I2647 VanDerWaalsContact O-CG1 3.32Å; F2643-I2647 WeakPolarHBondContact O-CG1 3.44Å; F2643-I2647 PolarHBondContact O-N 3.45Å; F2643-H2722 AromaticContact CE1-CD2 3.86Å; F2643-H2722 AromaticContact CE1-CE1 3.99Å; F2643-H2722 AromaticContact CE1-NE2 3.8Å |
| 2644 | V | 95.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 172.9 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | L2580 R2584 L2626 V2640 A2641 I2647 F2648 | L2580-V2644 HydrophobicContact CB-CG2 4.18Å; L2580-V2644 WeakPolarHBondContact O-CG2 3.4Å; R2584-V2644 HydrophobicContact CB-CG1 3.96Å; R2584-V2644 HydrophobicContact CB-CG2 4.15Å; L2626-V2644 HydrophobicContact CD2-CB 4.2Å; L2626-V2644 HydrophobicContact CD2-CG1 3.83Å; V2640-V2644 HydrophobicContact CG1-CG2 4.33Å; V2640-V2644 VanDerWaalsContact O-CG2 3.25Å; V2640-V2644 WeakPolarHBondContact O-CG2 3.27Å; V2640-V2644 PolarHBondContact O-N 2.97Å; A2641-V2644 PolarHBondContact O-N 2.84Å; V2644-I2647 PolarHBondContact O-N 3.07Å; V2644-F2648 HydrophobicContact CG1-CE1 4.36Å; V2644-F2648 HydrophobicContact CG1-CE2 4.07Å; V2644-F2648 HydrophobicContact CG1-CZ 3.98Å; V2644-F2648 PolarHBondContact O-N 3.17Å |
| 2645 | L | 97 | Very high | 92.8 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 175 | 177.9 | 57.2 | 0 | 0 | 0 | 111.6 | L2626 L2630 A2641 M2642 F2643 I2647 F2648 I2649 I2654 W2660 A2716 S2719 | L2626-L2645 HydrophobicContact CD1-CB 4.06Å; L2626-L2645 HydrophobicContact CD1-CD1 3.84Å; L2626-L2645 HydrophobicContact CD1-CG 4.49Å; L2630-L2645 HydrophobicContact CD1-CD2 3.97Å; A2641-L2645 WeakPolarHBondContact O-CB 3.37Å; A2641-L2645 PolarHBondContact O-N 3.04Å; M2642-L2645 PolarHBondContact O-N 3.28Å; F2643-L2645 VanDerWaalsContact C-N 3.33Å; L2645-I2647 VanDerWaalsContact C-N 3.3Å; L2645-I2647 PolarHBondContact O-N 2.78Å; L2645-F2648 PolarHBondContact O-N 3.39Å; L2645-F2648 VanDerWaalsContact O-N 3.13Å; L2645-I2649 HydrophobicContact CD1-CD1 4.16Å; L2645-I2649 HydrophobicContact CD1-CG1 4.34Å; L2645-I2649 HydrophobicContact CG-CD1 4.02Å; L2645-I2649 WeakPolarHBondContact O-CG1 3.39Å; L2645-I2649 PolarHBondContact O-N 2.91Å; L2645-I2654 HydrophobicContact CD1-CD1 3.48Å; L2645-I2654 VanDerWaalsContact CD1-CD1 3.48Å; L2645-I2654 HydrophobicContact CD1-CG2 4.21Å; L2645-W2660 HydrophobicContact CD2-CH2 4.13Å; L2645-A2716 HydrophobicContact CD2-CB 4.45Å; L2645-S2719 WeakPolarHBondContact CD2-OG 3.16Å; L2645-S2719 VanDerWaalsContact CG-OG 3.25Å; L2645-S2719 WeakPolarHBondContact CG-OG 3.31Å |
| 2646 | A | 95.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.033 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.3 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M2642 F2643 I2649 E2650 S2719 H2722 G2723 | M2642-A2646 WeakPolarHBondContact O-CB 3.38Å; M2642-A2646 PolarHBondContact O-N 3.18Å; F2643-A2646 WeakPolarHBondContact O-CB 3.4Å; F2643-A2646 PolarHBondContact O-N 2.81Å; A2646-I2649 WeakPolarHBondContact O-CB 3.39Å; A2646-I2649 PolarHBondContact O-N 3.25Å; A2646-E2650 WeakPolarHBondContact O-CB 3.47Å; A2646-E2650 PolarHBondContact O-N 3.33Å; A2646-S2719 WeakPolarHBondContact CA-O 3.05Å; A2646-S2719 WeakPolarHBondContact CB-O 3.35Å; A2646-H2722 HydrophobicContact CB-CB 3.65Å; A2646-G2723 VanDerWaalsContact O-CA 3.26Å; A2646-G2723 WeakPolarHBondContact O-CA 3.37Å |
| 2647 | I | 94 | Very high | 92.7 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 14% | 0.144 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 177.2 | -66.6 | 170.6 | 0 | 0 | 0 | 111.2 | M2503 R2584 V2588 F2643 V2644 L2645 I2649 E2650 V2651 | M2503-I2647 HydrophobicContact CE-CD1 4.37Å; R2584-I2647 HydrophobicContact CG-CD1 4.08Å; R2584-I2647 HydrophobicContact CG-CG2 4.16Å; V2588-I2647 HydrophobicContact CG2-CG2 3.88Å; F2643-I2647 VanDerWaalsContact O-CG1 3.32Å; F2643-I2647 WeakPolarHBondContact O-CG1 3.44Å; F2643-I2647 PolarHBondContact O-N 3.45Å; V2644-I2647 PolarHBondContact O-N 3.07Å; L2645-I2647 VanDerWaalsContact C-N 3.3Å; L2645-I2647 PolarHBondContact O-N 2.78Å; I2647-I2649 VanDerWaalsContact C-N 3.27Å; I2647-I2649 PolarHBondContact O-N 3.45Å; I2647-E2650 PolarHBondContact O-N 2.83Å; I2647-V2651 HydrophobicContact CG2-CG2 4.23Å; I2647-V2651 WeakPolarHBondContact O-CB 3.48Å; I2647-V2651 VanDerWaalsContact O-CG2 3.28Å; I2647-V2651 WeakPolarHBondContact O-CG2 3.34Å; I2647-V2651 PolarHBondContact O-N 3.45Å |
| 2648 | F | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.6 | -30.5 | 175.3 | -70.5 | -4.6 | 0 | 0 | 0 | 113 | L2583 V2587 V2588 L2622 L2626 V2644 L2645 G2652 V2653 I2654 | L2583-F2648 HydrophobicContact CG-CE2 4.26Å; L2583-F2648 HydrophobicContact CG-CZ 4.08Å; V2587-F2648 HydrophobicContact CB-CE1 3.59Å; V2587-F2648 HydrophobicContact CB-CZ 3.59Å; V2587-F2648 HydrophobicContact CG1-CD1 4.16Å; V2587-F2648 HydrophobicContact CG1-CE1 3.64Å; V2587-F2648 HydrophobicContact CG1-CZ 3.86Å; V2587-F2648 HydrophobicContact CG2-CE1 4.18Å; V2587-F2648 HydrophobicContact CG2-CE2 4.32Å; V2587-F2648 HydrophobicContact CG2-CZ 3.63Å; V2588-F2648 HydrophobicContact CG2-CE1 4.41Å; L2622-F2648 HydrophobicContact CD1-CD2 4.41Å; L2622-F2648 HydrophobicContact CD1-CE2 4.4Å; L2622-F2648 HydrophobicContact CD2-CE2 4.21Å; L2626-F2648 HydrophobicContact CD1-CD2 3.75Å; L2626-F2648 HydrophobicContact CD1-CE2 4.05Å; V2644-F2648 HydrophobicContact CG1-CE1 4.36Å; V2644-F2648 HydrophobicContact CG1-CE2 4.07Å; V2644-F2648 HydrophobicContact CG1-CZ 3.98Å; V2644-F2648 PolarHBondContact O-N 3.17Å; L2645-F2648 PolarHBondContact O-N 3.39Å; L2645-F2648 VanDerWaalsContact O-N 3.13Å; F2648-G2652 PolarHBondContact O-N 3.34Å; F2648-V2653 HydrophobicContact CB-CB 4.45Å; F2648-V2653 PolarHBondContact O-N 3.25Å; F2648-I2654 HydrophobicContact CB-CB 4.29Å; F2648-I2654 HydrophobicContact CB-CD1 3.93Å; F2648-I2654 HydrophobicContact CB-CG1 4.04Å; F2648-I2654 HydrophobicContact CD2-CD1 3.91Å; F2648-I2654 HydrophobicContact CG-CD1 4.45Å; F2648-I2654 PolarHBondContact O-N 2.92Å |
| 2649 | I | 93.5 | Very high | 92.3 | Very high | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.5 | -48.6 | 171.9 | -67.3 | 164 | 0 | 0 | 0 | 110.2 | L2645 A2646 I2647 V2651 G2652 I2654 F2720 | L2645-I2649 HydrophobicContact CD1-CD1 4.16Å; L2645-I2649 HydrophobicContact CD1-CG1 4.34Å; L2645-I2649 HydrophobicContact CG-CD1 4.02Å; L2645-I2649 WeakPolarHBondContact O-CG1 3.39Å; L2645-I2649 PolarHBondContact O-N 2.91Å; A2646-I2649 WeakPolarHBondContact O-CB 3.39Å; A2646-I2649 PolarHBondContact O-N 3.25Å; I2647-I2649 VanDerWaalsContact C-N 3.27Å; I2647-I2649 PolarHBondContact O-N 3.45Å; I2649-V2651 VanDerWaalsContact C-N 3.34Å; I2649-V2651 PolarHBondContact O-N 3.04Å; I2649-G2652 PolarHBondContact O-N 2.57Å; I2649-I2654 WeakPolarHBondContact CA-O 3.48Å; I2649-I2654 HydrophobicContact CG1-CB 4.27Å; I2649-I2654 HydrophobicContact CG1-CG2 4.14Å; I2649-F2720 HydrophobicContact CD1-CD1 3.91Å; I2649-F2720 HydrophobicContact CD1-CD2 3.97Å; I2649-F2720 HydrophobicContact CD1-CE1 3.96Å; I2649-F2720 HydrophobicContact CD1-CE2 4.01Å; I2649-F2720 HydrophobicContact CD1-CG 3.92Å; I2649-F2720 HydrophobicContact CD1-CZ 4.02Å; I2649-F2720 HydrophobicContact CG1-CE1 4.4Å; I2649-F2720 HydrophobicContact CG2-CD1 4.32Å |
| 2650 | E | 92.1 | Very high | 92.2 | Very high | 112 Ų | 112 | 41.9 Ų | 41.9 | 52% | 0.523 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.1 | -45 | -179.4 | -173.9 | -174.9 | 168.2 | 0 | 0 | 112 | A2646 I2647 G2652 G2723 | A2646-E2650 WeakPolarHBondContact O-CB 3.47Å; A2646-E2650 PolarHBondContact O-N 3.33Å; I2647-E2650 PolarHBondContact O-N 2.83Å; E2650-G2652 PolarHBondContact O-N 3.37Å; E2650-G2723 WeakPolarHBondContact CA-O 3.39Å |
| 2651 | V | 89.7 | Confident | 92.2 | Very high | 54 Ų | 54 | 41.9 Ų | 41.9 | 33% | 0.327 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -10.8 | 179.5 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | L2591 I2647 I2649 V2653 | L2591-V2651 HydrophobicContact CD1-CG1 3.43Å; L2591-V2651 VanDerWaalsContact CD1-CG1 3.43Å; L2591-V2651 HydrophobicContact CD2-CG1 3.3Å; L2591-V2651 HydrophobicContact CG-CG1 3.95Å; I2647-V2651 HydrophobicContact CG2-CG2 4.23Å; I2647-V2651 WeakPolarHBondContact O-CB 3.48Å; I2647-V2651 VanDerWaalsContact O-CG2 3.28Å; I2647-V2651 WeakPolarHBondContact O-CG2 3.34Å; I2647-V2651 PolarHBondContact O-N 3.45Å; I2649-V2651 VanDerWaalsContact C-N 3.34Å; I2649-V2651 PolarHBondContact O-N 3.04Å; V2651-V2653 HydrophobicContact CG1-CG2 4.35Å |
| 2652 | G | 88 | Confident | 92 | Very high | 36 Ų | 36 | 45.5 Ų | 45.5 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 14.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F2648 I2649 E2650 | F2648-G2652 PolarHBondContact O-N 3.34Å; I2649-G2652 PolarHBondContact O-N 2.57Å; E2650-G2652 PolarHBondContact O-N 3.37Å |
| 2653 | V | 87.8 | Confident | 91.8 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -71.2 | -43.5 | 172.7 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | V2587 L2591 L2622 F2648 V2651 | V2587-V2653 HydrophobicContact CG1-CG1 4.24Å; V2587-V2653 HydrophobicContact CG1-CG2 4.16Å; L2591-V2653 HydrophobicContact CD1-CG2 3.45Å; L2591-V2653 VanDerWaalsContact CD1-CG2 3.45Å; L2622-V2653 HydrophobicContact CD1-CG1 3.52Å; F2648-V2653 HydrophobicContact CB-CB 4.45Å; F2648-V2653 PolarHBondContact O-N 3.25Å; V2651-V2653 HydrophobicContact CG1-CG2 4.35Å |
| 2654 | I | 89.4 | Confident | 91.8 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -104.3 | 110.4 | 172.6 | -66.6 | 177.4 | 0 | 0 | 0 | 108.6 | L2622 R2623 L2626 L2645 F2648 I2649 | L2622-I2654 HydrophobicContact CB-CD1 4.17Å; R2623-I2654 HydrophobicContact CG-CD1 4.33Å; L2626-I2654 HydrophobicContact CD1-CD1 3.88Å; L2645-I2654 HydrophobicContact CD1-CD1 3.48Å; L2645-I2654 VanDerWaalsContact CD1-CD1 3.48Å; L2645-I2654 HydrophobicContact CD1-CG2 4.21Å; F2648-I2654 HydrophobicContact CB-CB 4.29Å; F2648-I2654 HydrophobicContact CB-CD1 3.93Å; F2648-I2654 HydrophobicContact CB-CG1 4.04Å; F2648-I2654 HydrophobicContact CD2-CD1 3.91Å; F2648-I2654 HydrophobicContact CG-CD1 4.45Å; F2648-I2654 PolarHBondContact O-N 2.92Å; I2649-I2654 WeakPolarHBondContact CA-O 3.48Å; I2649-I2654 HydrophobicContact CG1-CB 4.27Å; I2649-I2654 HydrophobicContact CG1-CG2 4.14Å |
| 2655 | K | 86.7 | Confident | 91.7 | Very high | 97 Ų | 97 | 50.7 Ų | 50.7 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | trans | -89.2 | 156.6 | 178.4 | -61.1 | 170 | -171.8 | 162.9 | 0 | 111.1 | D2615 R2623 D2657 | D2615-K2655 IonicContact OD2-NZ 3.54Å; D2615-K2655 PolarHBondContact OD2-NZ 2.92Å; R2623-K2655 PolarHBondContact NH2-O 3.49Å; K2655-D2657 PolarHBondContact O-N 3.01Å | ||
| 2656 | Y | 87.2 | Confident | 91.5 | Very high | 80 Ų | 80 | 57.5 Ų | 57.5 | 31% | 0.314 | 28% | 0.276 | S | S | . | . | trans | -57.3 | 134.5 | 171.7 | 171.8 | -92.7 | 0 | 0 | 0 | 111.1 | K2658 I2661 F2720 Y2731 | Y2656-K2658 HydrophobicContact CE1-CB 3.86Å; Y2656-I2661 HydrophobicContact CD2-CG1 3.87Å; Y2656-I2661 HydrophobicContact CE2-CB 4.23Å; Y2656-I2661 HydrophobicContact CE2-CD1 4.49Å; Y2656-I2661 HydrophobicContact CE2-CG1 3.5Å; Y2656-F2720 HydrophobicContact CD2-CE1 4.21Å; Y2656-Y2731 AromaticContact CD1-CD1 3.98Å; Y2656-Y2731 HydrophobicContact CD1-CD1 3.98Å; Y2656-Y2731 HydrophobicContact CD1-CE1 4.38Å; Y2656-Y2731 HydrophobicContact CD1-CG 4.44Å; Y2656-Y2731 AromaticContact CD2-CD1 3.5Å; Y2656-Y2731 HydrophobicContact CD2-CD1 3.5Å; Y2656-Y2731 VanDerWaalsContact CD2-CD1 3.5Å; Y2656-Y2731 AromaticContact CD2-CD2 3.47Å; Y2656-Y2731 HydrophobicContact CD2-CD2 3.47Å; Y2656-Y2731 VanDerWaalsContact CD2-CD2 3.47Å; Y2656-Y2731 AromaticContact CD2-CE1 3.74Å; Y2656-Y2731 HydrophobicContact CD2-CE1 3.74Å; Y2656-Y2731 AromaticContact CD2-CE2 3.75Å; Y2656-Y2731 HydrophobicContact CD2-CE2 3.75Å; Y2656-Y2731 AromaticContact CD2-CG 3.35Å; Y2656-Y2731 HydrophobicContact CD2-CG 3.35Å; Y2656-Y2731 AromaticContact CD2-CZ 3.87Å; Y2656-Y2731 HydrophobicContact CE1-CD1 4.29Å; Y2656-Y2731 HydrophobicContact CE1-CG 4.42Å; Y2656-Y2731 AromaticContact CE2-CD1 3.8Å; Y2656-Y2731 HydrophobicContact CE2-CD1 3.8Å; Y2656-Y2731 AromaticContact CE2-CD2 3.57Å; Y2656-Y2731 HydrophobicContact CE2-CD2 3.57Å; Y2656-Y2731 HydrophobicContact CE2-CE1 4.48Å; Y2656-Y2731 HydrophobicContact CE2-CE2 4.32Å; Y2656-Y2731 AromaticContact CE2-CG 3.29Å; Y2656-Y2731 HydrophobicContact CE2-CG 3.29Å; Y2656-Y2731 AromaticContact CG-CD1 3.58Å; Y2656-Y2731 HydrophobicContact CG-CD1 3.58Å; Y2656-Y2731 HydrophobicContact CG-CD2 4.36Å; Y2656-Y2731 AromaticContact CG-CE1 3.66Å; Y2656-Y2731 HydrophobicContact CG-CE1 3.66Å; Y2656-Y2731 HydrophobicContact CG-CE2 4.47Å; Y2656-Y2731 AromaticContact CG-CG 3.96Å; Y2656-Y2731 HydrophobicContact CG-CG 3.96Å; Y2656-Y2731 AromaticContact CZ-CG 3.89Å | ||
| 2657 | D | 89 | Confident | 91.2 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | trans | -133.9 | 109.1 | 176.5 | 175.3 | -1.4 | 0 | 0 | 0 | 109 | R2623 K2655 K2659 W2660 I2661 | R2623-D2657 IonicContact CZ-OD2 3.5Å; R2623-D2657 IonicContact NH1-OD2 3.6Å; R2623-D2657 PolarHBondContact NH1-OD2 3.36Å; R2623-D2657 VanDerWaalsContact NH2-CB 3.32Å; K2655-D2657 PolarHBondContact O-N 3.01Å; D2657-K2659 PolarHBondContact O-N 3.42Å; D2657-K2659 WeakPolarHBondContact OD1-CB 3.44Å; D2657-K2659 PolarHBondContact OD1-N 2.92Å; D2657-W2660 HydrophobicContact CB-CB 4.06Å; D2657-W2660 PolarHBondContact O-N 2.89Å; D2657-W2660 VanDerWaalsContact O-N 3.07Å; D2657-I2661 PolarHBondContact O-N 3.1Å | ||
| 2658 | K | 90.6 | Very high | 91.1 | Very high | 138 Ų | 138 | 58.1 Ų | 58.1 | 60% | 0.6 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -55.4 | -37.2 | -177.1 | -172.1 | 173 | -179 | 176.3 | 0 | 112.2 | Y2656 I2662 | Y2656-K2658 HydrophobicContact CE1-CB 3.86Å; K2658-I2662 HydrophobicContact CG-CD1 3.94Å; K2658-I2662 WeakPolarHBondContact O-CD1 3.1Å; K2658-I2662 VanDerWaalsContact O-CG1 3.24Å; K2658-I2662 WeakPolarHBondContact O-CG1 3.21Å; K2658-I2662 PolarHBondContact O-N 2.98Å |
| 2659 | K | 90.3 | Very high | 91 | Very high | 173 Ų | 173 | 62.1 Ų | 62.1 | 75% | 0.752 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.6 | -41.2 | -179.8 | -66.1 | -177.3 | -179.6 | 179.2 | 0 | 111 | D2657 Q2663 | D2657-K2659 PolarHBondContact O-N 3.42Å; D2657-K2659 WeakPolarHBondContact OD1-CB 3.44Å; D2657-K2659 PolarHBondContact OD1-N 2.92Å; K2659-Q2663 PolarHBondContact O-N 3.02Å; K2659-Q2663 VanDerWaalsContact O-N 3.1Å |
| 2660 | W | 91.3 | Very high | 90.7 | Very high | 30 Ų | 30 | 67.2 Ų | 67.2 | 11% | 0.114 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69 | -43 | 178.6 | -176.9 | 43 | 0 | 0 | 0 | 111.9 | R2623 L2645 D2657 I2662 Q2663 L2664 A2716 F2720 | R2623-W2660 HydrophobicContact CG-CH2 4.4Å; L2645-W2660 HydrophobicContact CD2-CH2 4.13Å; D2657-W2660 HydrophobicContact CB-CB 4.06Å; D2657-W2660 PolarHBondContact O-N 2.89Å; D2657-W2660 VanDerWaalsContact O-N 3.07Å; W2660-I2662 PolarHBondContact O-N 3.14Å; W2660-Q2663 WeakPolarHBondContact O-CB 3.25Å; W2660-Q2663 PolarHBondContact O-N 3.08Å; W2660-Q2663 VanDerWaalsContact O-N 3.09Å; W2660-L2664 HydrophobicContact CD2-CD1 4.17Å; W2660-L2664 HydrophobicContact CZ2-CD1 4.02Å; W2660-L2664 WeakPolarHBondContact O-CG 3.44Å; W2660-L2664 PolarHBondContact O-N 3.4Å; W2660-A2716 HydrophobicContact CZ2-CB 4.42Å; W2660-F2720 HydrophobicContact CE3-CE2 4.1Å; W2660-F2720 HydrophobicContact CE3-CZ 4Å; W2660-F2720 HydrophobicContact CH2-CE2 4.13Å; W2660-F2720 AromaticContact CZ3-CE2 3.5Å; W2660-F2720 HydrophobicContact CZ3-CE2 3.5Å; W2660-F2720 VanDerWaalsContact CZ3-CE2 3.5Å; W2660-F2720 AromaticContact CZ3-CZ 3.57Å; W2660-F2720 HydrophobicContact CZ3-CZ 3.57Å |
| 2661 | I | 93.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 176 | -64.4 | -59.1 | 0 | 0 | 0 | 111.3 | Y2656 D2657 Q2663 L2664 I2665 L2717 F2720 I2735 | Y2656-I2661 HydrophobicContact CD2-CG1 3.87Å; Y2656-I2661 HydrophobicContact CE2-CB 4.23Å; Y2656-I2661 HydrophobicContact CE2-CD1 4.49Å; Y2656-I2661 HydrophobicContact CE2-CG1 3.5Å; D2657-I2661 PolarHBondContact O-N 3.1Å; I2661-Q2663 PolarHBondContact O-N 3.02Å; I2661-L2664 HydrophobicContact CD1-CD1 4.2Å; I2661-L2664 PolarHBondContact O-N 3.34Å; I2661-L2664 VanDerWaalsContact O-N 3.16Å; I2661-I2665 HydrophobicContact CG2-CD1 3.76Å; I2661-I2665 HydrophobicContact CG2-CG1 4.31Å; I2661-I2665 VanDerWaalsContact O-CG1 3.29Å; I2661-I2665 WeakPolarHBondContact O-CG1 3.32Å; I2661-I2665 PolarHBondContact O-N 3.05Å; I2661-L2717 HydrophobicContact CD1-CD2 3.97Å; I2661-L2717 HydrophobicContact CG2-CD2 4.37Å; I2661-F2720 HydrophobicContact CD1-CD2 3.82Å; I2661-F2720 HydrophobicContact CD1-CE1 4.36Å; I2661-F2720 HydrophobicContact CD1-CE2 3.42Å; I2661-F2720 VanDerWaalsContact CD1-CE2 3.42Å; I2661-F2720 HydrophobicContact CD1-CG 4.45Å; I2661-F2720 HydrophobicContact CD1-CZ 3.72Å; I2661-I2735 HydrophobicContact CD1-CD1 4.06Å; I2661-I2735 HydrophobicContact CG2-CD1 4.29Å; I2661-I2735 HydrophobicContact CG2-CG1 4.22Å |
| 2662 | I | 93.9 | Very high | 89.8 | Confident | 77 Ų | 77 | 67 Ų | 67 | 40% | 0.395 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.2 | -38.1 | 175.2 | -69.3 | 166 | 0 | 0 | 0 | 111.2 | K2658 W2660 I2665 K2666 | K2658-I2662 HydrophobicContact CG-CD1 3.94Å; K2658-I2662 WeakPolarHBondContact O-CD1 3.1Å; K2658-I2662 VanDerWaalsContact O-CG1 3.24Å; K2658-I2662 WeakPolarHBondContact O-CG1 3.21Å; K2658-I2662 PolarHBondContact O-N 2.98Å; W2660-I2662 PolarHBondContact O-N 3.14Å; I2662-I2665 PolarHBondContact O-N 3.36Å; I2662-K2666 HydrophobicContact CG2-CD 4.34Å; I2662-K2666 WeakPolarHBondContact O-CB 3.42Å; I2662-K2666 WeakPolarHBondContact O-CG 3.42Å; I2662-K2666 PolarHBondContact O-N 3.35Å |
| 2663 | Q | 93.2 | Very high | 89.3 | Confident | 105 Ų | 105 | 67.9 Ų | 67.9 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.5 | -176.5 | -178.3 | -1.8 | 0 | 0 | 112.2 | K2659 W2660 I2661 K2666 Q2667 | K2659-Q2663 PolarHBondContact O-N 3.02Å; K2659-Q2663 VanDerWaalsContact O-N 3.1Å; W2660-Q2663 WeakPolarHBondContact O-CB 3.25Å; W2660-Q2663 PolarHBondContact O-N 3.08Å; W2660-Q2663 VanDerWaalsContact O-N 3.09Å; I2661-Q2663 PolarHBondContact O-N 3.02Å; Q2663-K2666 PolarHBondContact O-N 3.48Å; Q2663-Q2667 WeakPolarHBondContact O-CG 3.48Å; Q2663-Q2667 PolarHBondContact O-N 3.09Å; Q2663-Q2667 VanDerWaalsContact O-N 3.07Å |
| 2664 | L | 94.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.6 | -66.4 | 174.4 | 0 | 0 | 0 | 111 | W2627 W2660 I2661 K2666 Q2667 I2668 A2716 L2717 | W2627-L2664 HydrophobicContact CH2-CD2 4.1Å; W2627-L2664 HydrophobicContact CZ3-CD2 3.62Å; W2660-L2664 HydrophobicContact CD2-CD1 4.17Å; W2660-L2664 HydrophobicContact CZ2-CD1 4.02Å; W2660-L2664 WeakPolarHBondContact O-CG 3.44Å; W2660-L2664 PolarHBondContact O-N 3.4Å; I2661-L2664 HydrophobicContact CD1-CD1 4.2Å; I2661-L2664 PolarHBondContact O-N 3.34Å; I2661-L2664 VanDerWaalsContact O-N 3.16Å; L2664-K2666 VanDerWaalsContact C-N 3.32Å; L2664-K2666 PolarHBondContact O-N 3.39Å; L2664-Q2667 WeakPolarHBondContact O-CB 3.49Å; L2664-Q2667 PolarHBondContact O-N 3.5Å; L2664-I2668 PolarHBondContact O-N 3.41Å; L2664-A2716 HydrophobicContact CD1-CB 3.77Å; L2664-A2716 HydrophobicContact CD2-CB 4.03Å; L2664-L2717 HydrophobicContact CB-CD2 4.12Å; L2664-L2717 HydrophobicContact CB-CG 4.27Å; L2664-L2717 HydrophobicContact CD1-CD2 3.96Å; L2664-L2717 HydrophobicContact CD1-CG 4.35Å |
| 2665 | I | 93.7 | Very high | 86.6 | Confident | 34 Ų | 34 | 78.2 Ų | 78.2 | 17% | 0.174 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 177.2 | -67 | 175.6 | 0 | 0 | 0 | 111.2 | I2661 I2662 Q2667 I2668 N2669 L2717 E2738 | I2661-I2665 HydrophobicContact CG2-CD1 3.76Å; I2661-I2665 HydrophobicContact CG2-CG1 4.31Å; I2661-I2665 VanDerWaalsContact O-CG1 3.29Å; I2661-I2665 WeakPolarHBondContact O-CG1 3.32Å; I2661-I2665 PolarHBondContact O-N 3.05Å; I2662-I2665 PolarHBondContact O-N 3.36Å; I2665-Q2667 VanDerWaalsContact C-N 3.3Å; I2665-Q2667 PolarHBondContact O-N 3.1Å; I2665-I2668 WeakPolarHBondContact O-CG1 3.33Å; I2665-N2669 WeakPolarHBondContact O-CB 3.4Å; I2665-N2669 PolarHBondContact O-N 2.96Å; I2665-N2669 PolarHBondContact O-ND2 3.44Å; I2665-L2717 HydrophobicContact CG1-CD1 4.34Å; I2665-E2738 HydrophobicContact CD1-CG 4.47Å; I2665-E2738 HydrophobicContact CG1-CG 4.15Å; I2665-E2738 HydrophobicContact CG2-CG 4.08Å; I2665-E2738 WeakPolarHBondContact CG2-OE1 3.33Å |
| 2666 | K | 92.3 | Very high | 84.9 | Confident | 144 Ų | 144 | 77.6 Ų | 77.6 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.7 | -36.8 | 173.2 | -76.7 | 178.4 | 179.9 | -172.5 | 0 | 112.4 | I2662 Q2663 L2664 Q2670 | I2662-K2666 HydrophobicContact CG2-CD 4.34Å; I2662-K2666 WeakPolarHBondContact O-CB 3.42Å; I2662-K2666 WeakPolarHBondContact O-CG 3.42Å; I2662-K2666 PolarHBondContact O-N 3.35Å; Q2663-K2666 PolarHBondContact O-N 3.48Å; L2664-K2666 VanDerWaalsContact C-N 3.32Å; L2664-K2666 PolarHBondContact O-N 3.39Å; K2666-Q2670 WeakPolarHBondContact O-CG 3.4Å; K2666-Q2670 PolarHBondContact O-N 2.86Å |
| 2667 | Q | 89.9 | Confident | 83 | Confident | 46 Ų | 46 | 78.6 Ų | 78.6 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -73.2 | -37.4 | -179 | -75.5 | 178.3 | -7 | 0 | 0 | 112.9 | Q2663 L2664 I2665 N2669 Q2670 S2713 | Q2663-Q2667 WeakPolarHBondContact O-CG 3.48Å; Q2663-Q2667 PolarHBondContact O-N 3.09Å; Q2663-Q2667 VanDerWaalsContact O-N 3.07Å; L2664-Q2667 WeakPolarHBondContact O-CB 3.49Å; L2664-Q2667 PolarHBondContact O-N 3.5Å; I2665-Q2667 VanDerWaalsContact C-N 3.3Å; I2665-Q2667 PolarHBondContact O-N 3.1Å; Q2667-N2669 VanDerWaalsContact C-N 3.31Å; Q2667-Q2670 PolarHBondContact O-N 3.21Å; Q2667-S2713 PolarHBondContact OE1-OG 2.78Å; Q2667-S2713 VanDerWaalsContact OE1-OG 3.05Å |
| 2668 | I | 92.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.8 | -34.6 | 176.6 | 61.8 | -178 | 0 | 0 | 0 | 111.9 | L2664 I2665 Q2670 R2710 S2713 I2714 L2717 E2738 H2742 | L2664-I2668 PolarHBondContact O-N 3.41Å; I2665-I2668 WeakPolarHBondContact O-CG1 3.33Å; I2668-Q2670 PolarHBondContact O-N 3.01Å; I2668-R2710 PolarHBondContact O-NE 3.16Å; I2668-R2710 VanDerWaalsContact O-NE 3.08Å; I2668-R2710 PolarHBondContact O-NH2 3.28Å; I2668-S2713 VanDerWaalsContact CG2-CB 3.42Å; I2668-I2714 HydrophobicContact CB-CG1 4.37Å; I2668-I2714 HydrophobicContact CG2-CD1 4.47Å; I2668-I2714 HydrophobicContact CG2-CG1 3.59Å; I2668-L2717 HydrophobicContact CD1-CD1 3.66Å; I2668-E2738 HydrophobicContact CD1-CG 3.54Å; I2668-H2742 WeakPolarHBondContact CD1-NE2 3.38Å; I2668-H2742 VanDerWaalsContact CG1-NE2 3.35Å; I2668-H2742 WeakPolarHBondContact CG1-NE2 3.48Å; I2668-H2742 PolarHBondContact O-CE1 2.75Å |
| 2669 | N | 90.8 | Very high | 78.6 | Confident | 83 Ų | 83 | 79.7 Ų | 79.7 | 44% | 0.444 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.4 | -179.7 | -75.4 | -49.2 | 0 | 0 | 0 | 115.1 | I2665 Q2667 E2738 | I2665-N2669 WeakPolarHBondContact O-CB 3.4Å; I2665-N2669 PolarHBondContact O-N 2.96Å; I2665-N2669 PolarHBondContact O-ND2 3.44Å; Q2667-N2669 VanDerWaalsContact C-N 3.31Å; N2669-E2738 PolarHBondContact ND2-OE1 3.36Å |
| 2670 | Q | 87.4 | Confident | 76.2 | Confident | 122 Ų | 122 | 77.3 Ų | 77.3 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -65.2 | 126.9 | 176.9 | -86.4 | 174.8 | -2.3 | 0 | 0 | 110.4 | K2666 Q2667 I2668 L2672 R2710 | K2666-Q2670 WeakPolarHBondContact O-CG 3.4Å; K2666-Q2670 PolarHBondContact O-N 2.86Å; Q2667-Q2670 PolarHBondContact O-N 3.21Å; I2668-Q2670 PolarHBondContact O-N 3.01Å; Q2670-L2672 PolarHBondContact O-N 3.43Å; Q2670-R2710 PolarHBondContact O-NH2 3.34Å |
| 2671 | P | 83.5 | Confident | 73.9 | Confident | 119 Ų | 119 | 82.5 Ų | 82.5 | 77% | 0.773 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 133.6 | -179.2 | 24.6 | -33.1 | 0 | 0 | 0 | 110.9 | ||
| 2672 | L | 80.2 | Confident | 71.4 | Confident | 41 Ų | 41 | 87.3 Ų | 87.3 | 22% | 0.215 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 140.8 | 175 | -77.1 | 153.3 | 0 | 0 | 0 | 109.3 | Q2670 N2674 Y2703 A2706 L2707 R2710 | Q2670-L2672 PolarHBondContact O-N 3.43Å; L2672-N2674 PolarHBondContact O-N 3.21Å; L2672-Y2703 HydrophobicContact CB-CD2 4.49Å; L2672-Y2703 HydrophobicContact CB-CE2 4.05Å; L2672-Y2703 HydrophobicContact CD2-CD2 4.43Å; L2672-Y2703 HydrophobicContact CD2-CE2 4.09Å; L2672-Y2703 HydrophobicContact CG-CE2 4.49Å; L2672-A2706 HydrophobicContact CD2-CB 4.17Å; L2672-L2707 HydrophobicContact CD1-CD1 4.38Å; L2672-L2707 HydrophobicContact CD2-CB 4.01Å; L2672-L2707 HydrophobicContact CD2-CD1 4.25Å; L2672-R2710 VanDerWaalsContact CD1-CZ 3.45Å; L2672-R2710 VanDerWaalsContact CD1-NH1 3.27Å |
| 2673 | P | 77.7 | Confident | 68.8 | Low | 55 Ų | 55 | 90.2 Ų | 90.2 | 36% | 0.357 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -54 | 138.1 | 172.5 | -23.1 | 32.3 | 0 | 0 | 0 | 111.1 | Q2675 Y2703 A2706 | P2673-Q2675 PolarHBondContact O-N 3.46Å; P2673-Q2675 VanDerWaalsContact O-N 3.13Å; P2673-Y2703 VanDerWaalsContact O-CD2 3.29Å; P2673-Y2703 WeakPolarHBondContact O-CD2 3.43Å; P2673-A2706 HydrophobicContact CG-CB 4.4Å |
| 2674 | N | 63.8 | Low | 66.3 | Low | 127 Ų | 127 | 92.6 Ų | 92.6 | 68% | 0.679 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 116.3 | -178.6 | -82.2 | -12 | 0 | 0 | 0 | 111.1 | L2672 T2676 V2677 | L2672-N2674 PolarHBondContact O-N 3.21Å; N2674-T2676 PolarHBondContact O-N 3.2Å; N2674-V2677 HydrophobicContact CB-CG2 4.45Å |
| 2675 | Q | 56.7 | Low | 63.5 | Low | 112 Ų | 112 | 99.2 Ų | 99.2 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -64.1 | -24 | 172.3 | -162.6 | 172.1 | 8 | 0 | 0 | 111.8 | P2673 V2677 M2678 | P2673-Q2675 PolarHBondContact O-N 3.46Å; P2673-Q2675 VanDerWaalsContact O-N 3.13Å; Q2675-V2677 VanDerWaalsContact C-N 3.27Å; Q2675-V2677 PolarHBondContact O-N 3.4Å; Q2675-M2678 PolarHBondContact O-N 3.14Å; Q2675-M2678 VanDerWaalsContact O-N 3.09Å |
| 2676 | T | 50.7 | Low | 60.9 | Low | 85 Ų | 85 | 102.2 Ų | 102.2 | 52% | 0.521 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -68.2 | -18.1 | -174 | -13.2 | 0 | 0 | 0 | 0 | 114.7 | N2674 M2678 L2679 I2680 | N2674-T2676 PolarHBondContact O-N 3.2Å; T2676-M2678 PolarHBondContact O-N 2.93Å; T2676-M2678 VanDerWaalsContact O-N 3.14Å; T2676-L2679 PolarHBondContact O-N 2.76Å; T2676-I2680 HydrophobicContact CG2-CD1 3.99Å; T2676-I2680 HydrophobicContact CG2-CG1 4.5Å |
| 2677 | V | 48 | Very low | 58.4 | Low | 101 Ų | 101 | 101.6 Ų | 101.6 | 61% | 0.612 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -66 | -11.9 | 172.3 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | N2674 Q2675 | N2674-V2677 HydrophobicContact CB-CG2 4.45Å; Q2675-V2677 VanDerWaalsContact C-N 3.27Å; Q2675-V2677 PolarHBondContact O-N 3.4Å |
| 2678 | M | 43.8 | Very low | 55.9 | Low | 59 Ų | 59 | 107 Ų | 107 | 29% | 0.291 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -93.7 | -20.4 | 179.7 | -60.6 | -160 | 87.7 | 0 | 0 | 115.9 | Q2675 T2676 D2696 H2700 | Q2675-M2678 PolarHBondContact O-N 3.14Å; Q2675-M2678 VanDerWaalsContact O-N 3.09Å; T2676-M2678 PolarHBondContact O-N 2.93Å; T2676-M2678 VanDerWaalsContact O-N 3.14Å; M2678-D2696 HydrophobicContact CE-CB 4.16Å; M2678-D2696 VanDerWaalsContact CE-O 3.26Å; M2678-D2696 WeakPolarHBondContact CE-O 3.45Å; M2678-H2700 HydrophobicContact CE-CB 4.34Å; M2678-H2700 WeakPolarHBondContact CE-CD2 3.19Å; M2678-H2700 WeakPolarHBondContact CE-NE2 3.32Å; M2678-H2700 HydrophobicContact SD-CB 4.27Å; M2678-H2700 PolarHBondContact SD-CD2 2.89Å; M2678-H2700 PolarHBondContact SD-CE1 2.92Å; M2678-H2700 PolarHBondContact SD-ND1 3.25Å; M2678-H2700 VanDerWaalsContact SD-ND1 3.42Å; M2678-H2700 PolarHBondContact SD-NE2 2.96Å |
| 2679 | L | 42.8 | Very low | 53.5 | Low | 155 Ų | 155 | 114.6 Ų | 114.6 | 81% | 0.812 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -14.9 | -178.7 | -75 | 168.2 | 0 | 0 | 0 | 113.8 | T2676 | T2676-L2679 PolarHBondContact O-N 2.76Š|
| 2680 | I | 40.6 | Very low | 50.9 | Low | 124 Ų | 124 | 119 Ų | 119 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | trans | -108.6 | 68.7 | 179.6 | -47 | 176 | 0 | 0 | 0 | 109.2 | T2676 | T2676-I2680 HydrophobicContact CG2-CD1 3.99Å; T2676-I2680 HydrophobicContact CG2-CG1 4.5Å | ||
| 2681 | N | 42.2 | Very low | 48.5 | Very low | 139 Ų | 139 | 119.2 Ų | 119.2 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | trans | -144.9 | 64.6 | 153.8 | -139.7 | 10.1 | 0 | 0 | 0 | 112.4 | N2683 | N2681-N2683 VanDerWaalsContact C-N 3.33Š| ||
| 2682 | P | 40.4 | Very low | 46.6 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | trans | -85.2 | -4.6 | 169.2 | 3.2 | 16.6 | 0 | 0 | 0 | 113.1 | N2684 | P2682-N2684 PolarHBondContact O-N 2.81Š| ||
| 2683 | N | 39.8 | Very low | 44.8 | Very low | 137 Ų | 137 | 121.3 Ų | 121.3 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | trans | -106.2 | 66 | -171 | -67.9 | 5.5 | 0 | 0 | 0 | 111.9 | N2681 | N2681-N2683 VanDerWaalsContact C-N 3.33Š| ||
| 2684 | N | 40.5 | Very low | 43.1 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | trans | -135.1 | 89.6 | 149.4 | -141.2 | 8 | 0 | 0 | 0 | 109.6 | P2682 | P2682-N2684 PolarHBondContact O-N 2.81Š| ||
| 2685 | D | 37.1 | Very low | 42.4 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | trans | -45.7 | 143.3 | 164.5 | -77.4 | -48.1 | 0 | 0 | 0 | 111 | ||||
| 2686 | S | 37.8 | Very low | 41.9 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | trans | 58 | 101.3 | 147.7 | 57.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2687 | T | 39.8 | Very low | 41.8 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | 164.2 | 132.3 | 106.1 | 41 | 0 | 0 | 0 | 0 | 109.7 | N2689 | T2687-N2689 PolarHBondContact O-N 2.95Š| |||
| 2688 | N | 37.5 | Very low | 42 | Very low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | trans | -27.4 | 101.3 | 166.3 | -67.4 | -30 | 0 | 0 | 0 | 113.7 | ||||
| 2689 | N | 42.7 | Very low | 42.6 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | -159.3 | 137.9 | 147 | -86.7 | -33.5 | 0 | 0 | 0 | 108 | T2687 | T2687-N2689 PolarHBondContact O-N 2.95Š| ||
| 2690 | Q | 35.5 | Very low | 43.3 | Very low | 174 Ų | 174 | 124.1 Ų | 124.1 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | trans | -46.6 | 141.5 | -168.1 | -68.2 | 167.4 | -30.6 | 0 | 0 | 114 | T2692 | Q2690-T2692 PolarHBondContact O-N 3.29Š| ||
| 2691 | P | 38.5 | Very low | 45 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | trans | -67.3 | 102 | -179.8 | 27.7 | -32.2 | 0 | 0 | 0 | 109.7 | S2693 | P2691-S2693 PolarHBondContact O-N 3.4Š| ||
| 2692 | T | 41.8 | Very low | 46.8 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 72% | 0.724 | 67% | 0.672 | S | S | * | * | trans | -82.8 | 91.6 | 164.7 | 43.2 | 0 | 0 | 0 | 0 | 107.4 | Q2690 F2694 | Q2690-T2692 PolarHBondContact O-N 3.29Å; T2692-F2694 PolarHBondContact O-N 3.36Å | ||
| 2693 | S | 42.5 | Very low | 49 | Very low | 87 Ų | 87 | 119 Ų | 119 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 30.9 | -176 | 59 | 0 | 0 | 0 | 0 | 115.5 | P2691 | P2691-S2693 PolarHBondContact O-N 3.4Š|
| 2694 | F | 43.5 | Very low | 51 | Low | 168 Ų | 168 | 115.1 Ų | 115.1 | 74% | 0.737 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -16.2 | -169.1 | -81.3 | -81.1 | 0 | 0 | 0 | 115.6 | T2692 | T2692-F2694 PolarHBondContact O-N 3.36Š|
| 2695 | S | 49.3 | Very low | 53.2 | Low | 83 Ų | 83 | 110.7 Ų | 110.7 | 58% | 0.58 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -39.1 | -179.4 | 62.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 2696 | D | 45.9 | Very low | 55.6 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.1 | -31.1 | -167.6 | -67.2 | -10.3 | 0 | 0 | 0 | 113.2 | M2678 N2698 | M2678-D2696 HydrophobicContact CE-CB 4.16Å; M2678-D2696 VanDerWaalsContact CE-O 3.26Å; M2678-D2696 WeakPolarHBondContact CE-O 3.45Å; D2696-N2698 PolarHBondContact O-N 3.39Å |
| 2697 | N | 47.3 | Very low | 58.1 | Low | 118 Ų | 118 | 102.8 Ų | 102.8 | 63% | 0.631 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.9 | -30.6 | 179.7 | -84 | -23 | 0 | 0 | 0 | 113.4 | N2701 | N2697-N2701 PolarHBondContact O-N 3.33Å |
| 2698 | N | 53.1 | Low | 60.5 | Low | 104 Ų | 104 | 101 Ų | 101 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.2 | -44.1 | -177.6 | -81.5 | -14 | 0 | 0 | 0 | 111.9 | D2696 N2701 E2702 | D2696-N2698 PolarHBondContact O-N 3.39Å; N2698-N2701 PolarHBondContact O-N 3.49Å; N2698-E2702 PolarHBondContact O-N 3.05Å; N2698-E2702 VanDerWaalsContact O-N 3.1Å |
| 2699 | N | 55.4 | Low | 63 | Low | 77 Ų | 77 | 96.1 Ų | 96.1 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | -178 | -77.1 | -6 | 0 | 0 | 0 | 112.9 | N2701 E2702 Y2703 | N2699-N2701 VanDerWaalsContact C-N 3.29Å; N2699-N2701 PolarHBondContact O-N 3.2Å; N2699-E2702 PolarHBondContact O-N 3Å; N2699-Y2703 PolarHBondContact O-N 3.42Å; N2699-Y2703 VanDerWaalsContact O-N 3.14Å |
| 2700 | H | 58.1 | Low | 65.5 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 175.9 | -103.2 | -42 | 0 | 0 | 0 | 112 | M2678 S2704 | M2678-H2700 HydrophobicContact CE-CB 4.34Å; M2678-H2700 WeakPolarHBondContact CE-CD2 3.19Å; M2678-H2700 WeakPolarHBondContact CE-NE2 3.32Å; M2678-H2700 HydrophobicContact SD-CB 4.27Å; M2678-H2700 PolarHBondContact SD-CD2 2.89Å; M2678-H2700 PolarHBondContact SD-CE1 2.92Å; M2678-H2700 PolarHBondContact SD-ND1 3.25Å; M2678-H2700 VanDerWaalsContact SD-ND1 3.42Å; M2678-H2700 PolarHBondContact SD-NE2 2.96Å; H2700-S2704 PolarHBondContact O-N 3.39Å; H2700-S2704 VanDerWaalsContact O-N 3.15Å |
| 2701 | N | 75.7 | Confident | 68.3 | Low | 89 Ų | 89 | 82.1 Ų | 82.1 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 179.1 | -165.5 | 20.6 | 0 | 0 | 0 | 111.1 | N2697 N2698 N2699 Y2703 S2704 I2705 | N2697-N2701 PolarHBondContact O-N 3.33Å; N2698-N2701 PolarHBondContact O-N 3.49Å; N2699-N2701 VanDerWaalsContact C-N 3.29Å; N2699-N2701 PolarHBondContact O-N 3.2Å; N2701-Y2703 PolarHBondContact O-N 3.22Å; N2701-S2704 PolarHBondContact O-N 3.07Å; N2701-S2704 PolarHBondContact O-OG 3.1Å; N2701-I2705 VanDerWaalsContact O-CG1 3.26Å; N2701-I2705 WeakPolarHBondContact O-CG1 3.32Å; N2701-I2705 PolarHBondContact O-N 3.2Å |
| 2702 | E | 81.6 | Confident | 71 | Confident | 118 Ų | 118 | 76.1 Ų | 76.1 | 55% | 0.551 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.3 | -46 | 177.6 | -74.5 | -174.1 | 178.6 | 0 | 0 | 113 | N2698 N2699 S2704 I2705 A2706 | N2698-E2702 PolarHBondContact O-N 3.05Å; N2698-E2702 VanDerWaalsContact O-N 3.1Å; N2699-E2702 PolarHBondContact O-N 3Å; E2702-S2704 PolarHBondContact O-N 2.67Å; E2702-I2705 PolarHBondContact O-N 3.44Å; E2702-A2706 WeakPolarHBondContact O-CB 3.41Å; E2702-A2706 PolarHBondContact O-N 3.48Å |
| 2703 | Y | 84.8 | Confident | 73.6 | Confident | 52 Ų | 52 | 70.5 Ų | 70.5 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60 | -46 | 176 | 176.9 | -97 | 0 | 0 | 0 | 111.8 | L2672 P2673 N2699 N2701 I2705 A2706 L2707 | L2672-Y2703 HydrophobicContact CB-CD2 4.49Å; L2672-Y2703 HydrophobicContact CB-CE2 4.05Å; L2672-Y2703 HydrophobicContact CD2-CD2 4.43Å; L2672-Y2703 HydrophobicContact CD2-CE2 4.09Å; L2672-Y2703 HydrophobicContact CG-CE2 4.49Å; P2673-Y2703 VanDerWaalsContact O-CD2 3.29Å; P2673-Y2703 WeakPolarHBondContact O-CD2 3.43Å; N2699-Y2703 PolarHBondContact O-N 3.42Å; N2699-Y2703 VanDerWaalsContact O-N 3.14Å; N2701-Y2703 PolarHBondContact O-N 3.22Å; Y2703-I2705 VanDerWaalsContact C-N 3.33Å; Y2703-I2705 PolarHBondContact O-N 3.46Å; Y2703-A2706 PolarHBondContact O-N 2.77Å; Y2703-L2707 HydrophobicContact CE1-CD2 4.08Å; Y2703-L2707 WeakPolarHBondContact O-CB 3.2Å; Y2703-L2707 PolarHBondContact O-N 2.93Å |
| 2704 | S | 83.3 | Confident | 76.2 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | -179.3 | 76.6 | 0 | 0 | 0 | 0 | 112.6 | H2700 N2701 E2702 R2708 | H2700-S2704 PolarHBondContact O-N 3.39Å; H2700-S2704 VanDerWaalsContact O-N 3.15Å; N2701-S2704 PolarHBondContact O-N 3.07Å; N2701-S2704 PolarHBondContact O-OG 3.1Å; E2702-S2704 PolarHBondContact O-N 2.67Å; S2704-R2708 WeakPolarHBondContact O-CB 3.45Å; S2704-R2708 PolarHBondContact O-N 3.44Å |
| 2705 | I | 86.7 | Confident | 78.8 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.4 | -45.3 | 176.5 | -68.1 | 165.9 | 0 | 0 | 0 | 110.2 | N2701 E2702 Y2703 R2708 N2709 | N2701-I2705 VanDerWaalsContact O-CG1 3.26Å; N2701-I2705 WeakPolarHBondContact O-CG1 3.32Å; N2701-I2705 PolarHBondContact O-N 3.2Å; E2702-I2705 PolarHBondContact O-N 3.44Å; Y2703-I2705 VanDerWaalsContact C-N 3.33Å; Y2703-I2705 PolarHBondContact O-N 3.46Å; I2705-R2708 PolarHBondContact O-N 2.86Å; I2705-N2709 WeakPolarHBondContact O-CB 3.24Å; I2705-N2709 VanDerWaalsContact O-CG 3.25Å; I2705-N2709 PolarHBondContact O-N 2.96Å; I2705-N2709 PolarHBondContact O-ND2 3.27Å |
| 2706 | A | 87.5 | Confident | 81.1 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 26% | 0.256 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2672 P2673 E2702 Y2703 R2708 N2709 R2710 | L2672-A2706 HydrophobicContact CD2-CB 4.17Å; P2673-A2706 HydrophobicContact CG-CB 4.4Å; E2702-A2706 WeakPolarHBondContact O-CB 3.41Å; E2702-A2706 PolarHBondContact O-N 3.48Å; Y2703-A2706 PolarHBondContact O-N 2.77Å; A2706-R2708 PolarHBondContact O-N 3.09Å; A2706-N2709 PolarHBondContact O-N 3.1Å; A2706-R2710 PolarHBondContact O-N 3.02Å |
| 2707 | L | 89.3 | Confident | 83.5 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 177.2 | -177.7 | 62.2 | 0 | 0 | 0 | 112 | L2672 Y2703 R2710 Y2711 I2749 | L2672-L2707 HydrophobicContact CD1-CD1 4.38Å; L2672-L2707 HydrophobicContact CD2-CB 4.01Å; L2672-L2707 HydrophobicContact CD2-CD1 4.25Å; Y2703-L2707 HydrophobicContact CE1-CD2 4.08Å; Y2703-L2707 WeakPolarHBondContact O-CB 3.2Å; Y2703-L2707 PolarHBondContact O-N 2.93Å; L2707-R2710 PolarHBondContact O-N 3.3Å; L2707-Y2711 WeakPolarHBondContact O-CB 3.37Å; L2707-Y2711 PolarHBondContact O-N 3.37Å; L2707-I2749 HydrophobicContact CD1-CD1 4.09Å |
| 2708 | R | 90.1 | Very high | 85.9 | Confident | 94 Ų | 94 | 43.8 Ų | 43.8 | 36% | 0.355 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 177.6 | -166.2 | -178.3 | 47.9 | 152.6 | -11.8 | 112.2 | N2631 D2632 S2704 I2705 A2706 R2710 Y2711 A2712 | N2631-R2708 WeakPolarHBondContact O-CD 3.46Å; N2631-R2708 PolarHBondContact O-NH1 3.09Å; N2631-R2708 WeakPolarHBondContact OD1-CD 3.34Å; N2631-R2708 WeakPolarHBondContact OD1-CG 3.42Å; N2631-R2708 PolarHBondContact OD1-NE 3.17Å; D2632-R2708 WeakPolarHBondContact O-CD 3.45Å; S2704-R2708 WeakPolarHBondContact O-CB 3.45Å; S2704-R2708 PolarHBondContact O-N 3.44Å; I2705-R2708 PolarHBondContact O-N 2.86Å; A2706-R2708 PolarHBondContact O-N 3.09Å; R2708-R2710 VanDerWaalsContact C-N 3.34Å; R2708-R2710 PolarHBondContact O-N 2.82Å; R2708-Y2711 PolarHBondContact O-N 3.16Å; R2708-A2712 WeakPolarHBondContact O-CB 3.49Å; R2708-A2712 PolarHBondContact O-N 3.42Å |
| 2709 | N | 91.5 | Very high | 88 | Confident | 56 Ų | 56 | 38.8 Ų | 38.8 | 30% | 0.299 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 173.9 | -73.8 | -24 | 0 | 0 | 0 | 111.9 | N2631 I2705 A2706 S2713 | N2631-N2709 PolarHBondContact ND2-OD1 3.31Å; N2631-N2709 PolarHBondContact OD1-OD1 3.22Å; I2705-N2709 WeakPolarHBondContact O-CB 3.24Å; I2705-N2709 VanDerWaalsContact O-CG 3.25Å; I2705-N2709 PolarHBondContact O-N 2.96Å; I2705-N2709 PolarHBondContact O-ND2 3.27Å; A2706-N2709 PolarHBondContact O-N 3.1Å; N2709-S2713 WeakPolarHBondContact O-CB 3.47Å; N2709-S2713 PolarHBondContact O-N 3.42Å; N2709-S2713 PolarHBondContact O-OG 2.9Å |
| 2710 | R | 93.6 | Very high | 90 | Very high | 20 Ų | 20 | 35.1 Ų | 35.1 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 173 | 180 | 179.3 | -67.5 | -167 | -1 | 110.6 | I2668 Q2670 L2672 A2706 L2707 R2708 A2712 S2713 I2714 D2745 I2749 | I2668-R2710 PolarHBondContact O-NE 3.16Å; I2668-R2710 VanDerWaalsContact O-NE 3.08Å; I2668-R2710 PolarHBondContact O-NH2 3.28Å; Q2670-R2710 PolarHBondContact O-NH2 3.34Å; L2672-R2710 VanDerWaalsContact CD1-CZ 3.45Å; L2672-R2710 VanDerWaalsContact CD1-NH1 3.27Å; A2706-R2710 PolarHBondContact O-N 3.02Å; L2707-R2710 PolarHBondContact O-N 3.3Å; R2708-R2710 VanDerWaalsContact C-N 3.34Å; R2708-R2710 PolarHBondContact O-N 2.82Å; R2710-A2712 PolarHBondContact O-N 2.85Å; R2710-S2713 WeakPolarHBondContact O-CB 3.44Å; R2710-S2713 PolarHBondContact O-N 3.36Å; R2710-S2713 VanDerWaalsContact O-N 3.16Å; R2710-I2714 HydrophobicContact CG-CD1 4.02Å; R2710-I2714 WeakPolarHBondContact O-CG1 3.46Å; R2710-I2714 PolarHBondContact O-N 3.42Å; R2710-D2745 VanDerWaalsContact CD-OD2 3.25Å; R2710-D2745 WeakPolarHBondContact CD-OD2 3.46Å; R2710-D2745 IonicContact CZ-OD2 3.42Å; R2710-D2745 IonicContact NE-OD2 3.62Å; R2710-D2745 IonicContact NH1-OD1 2.73Å; R2710-D2745 PolarHBondContact NH1-OD1 2.9Å; R2710-D2745 IonicContact NH1-OD2 2.84Å; R2710-D2745 PolarHBondContact NH1-OD2 2.93Å; R2710-I2749 HydrophobicContact CG-CD1 4.26Å |
| 2711 | Y | 94.6 | Very high | 91.7 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 8% | 0.078 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.9 | -46.1 | 178 | -169.4 | -113.1 | 0 | 0 | 0 | 112.3 | I2635 Q2639 L2707 R2708 S2713 I2714 L2715 I2749 I2752 | I2635-Y2711 HydrophobicContact CG1-CE1 4.42Å; I2635-Y2711 HydrophobicContact CG2-CE1 4.11Å; I2635-Y2711 WeakPolarHBondContact CG2-OH 3.43Å; Q2639-Y2711 PolarHBondContact NE2-OH 3.48Å; L2707-Y2711 WeakPolarHBondContact O-CB 3.37Å; L2707-Y2711 PolarHBondContact O-N 3.37Å; R2708-Y2711 PolarHBondContact O-N 3.16Å; Y2711-S2713 VanDerWaalsContact C-N 3.29Å; Y2711-S2713 PolarHBondContact O-N 2.69Å; Y2711-I2714 PolarHBondContact O-N 3.06Å; Y2711-L2715 HydrophobicContact CD1-CD1 3.73Å; Y2711-L2715 HydrophobicContact CD1-CG 4.21Å; Y2711-L2715 HydrophobicContact CE1-CD1 3.48Å; Y2711-L2715 VanDerWaalsContact CE1-CD1 3.48Å; Y2711-L2715 HydrophobicContact CE1-CD2 4.31Å; Y2711-L2715 HydrophobicContact CE1-CG 3.98Å; Y2711-L2715 WeakPolarHBondContact O-CG 3.21Å; Y2711-L2715 PolarHBondContact O-N 2.93Å; Y2711-I2749 HydrophobicContact CD2-CG1 3.63Å; Y2711-I2749 HydrophobicContact CE2-CG1 4.3Å; Y2711-I2752 HydrophobicContact CE2-CG2 3.84Å |
| 2712 | A | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.9 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W2627 L2630 N2631 R2708 R2710 L2715 A2716 | W2627-A2712 HydrophobicContact CH2-CB 4.43Å; L2630-A2712 HydrophobicContact CB-CB 4.12Å; L2630-A2712 WeakPolarHBondContact O-CB 3.36Å; N2631-A2712 HydrophobicContact CB-CB 4.07Å; R2708-A2712 WeakPolarHBondContact O-CB 3.49Å; R2708-A2712 PolarHBondContact O-N 3.42Å; R2710-A2712 PolarHBondContact O-N 2.85Å; A2712-L2715 PolarHBondContact O-N 3.24Å; A2712-A2716 WeakPolarHBondContact O-CB 3.48Å; A2712-A2716 PolarHBondContact O-N 2.87Å |
| 2713 | S | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.1 | -42 | 177 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | Q2667 I2668 N2709 R2710 Y2711 A2716 L2717 | Q2667-S2713 PolarHBondContact OE1-OG 2.78Å; Q2667-S2713 VanDerWaalsContact OE1-OG 3.05Å; I2668-S2713 VanDerWaalsContact CG2-CB 3.42Å; N2709-S2713 WeakPolarHBondContact O-CB 3.47Å; N2709-S2713 PolarHBondContact O-N 3.42Å; N2709-S2713 PolarHBondContact O-OG 2.9Å; R2710-S2713 WeakPolarHBondContact O-CB 3.44Å; R2710-S2713 PolarHBondContact O-N 3.36Å; R2710-S2713 VanDerWaalsContact O-N 3.16Å; Y2711-S2713 VanDerWaalsContact C-N 3.29Å; Y2711-S2713 PolarHBondContact O-N 2.69Å; S2713-A2716 WeakPolarHBondContact O-CB 3.47Å; S2713-A2716 PolarHBondContact O-N 3.39Å; S2713-L2717 WeakPolarHBondContact O-CG 3.47Å; S2713-L2717 PolarHBondContact O-N 3.48Å |
| 2714 | I | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 174.1 | -69.6 | 176.7 | 0 | 0 | 0 | 110.4 | I2668 R2710 Y2711 A2716 L2717 C2718 L2739 H2742 I2749 I2752 I2753 | I2668-I2714 HydrophobicContact CB-CG1 4.37Å; I2668-I2714 HydrophobicContact CG2-CD1 4.47Å; I2668-I2714 HydrophobicContact CG2-CG1 3.59Å; R2710-I2714 HydrophobicContact CG-CD1 4.02Å; R2710-I2714 WeakPolarHBondContact O-CG1 3.46Å; R2710-I2714 PolarHBondContact O-N 3.42Å; Y2711-I2714 PolarHBondContact O-N 3.06Å; I2714-A2716 VanDerWaalsContact C-N 3.33Å; I2714-A2716 PolarHBondContact O-N 3.14Å; I2714-L2717 PolarHBondContact O-N 2.91Å; I2714-L2717 VanDerWaalsContact O-N 3.16Å; I2714-C2718 PolarHBondContact O-N 3.48Å; I2714-C2718 PolarHBondContact O-SG 2.91Å; I2714-C2718 VanDerWaalsContact O-SG 3.36Å; I2714-L2739 HydrophobicContact CB-CD2 4.5Å; I2714-L2739 HydrophobicContact CG2-CD2 3.88Å; I2714-H2742 HydrophobicContact CD1-CB 4.24Å; I2714-I2749 HydrophobicContact CD1-CB 4.32Å; I2714-I2749 HydrophobicContact CD1-CD1 3.96Å; I2714-I2749 HydrophobicContact CD1-CG1 3.98Å; I2714-I2749 HydrophobicContact CD1-CG2 3.38Å; I2714-I2752 HydrophobicContact CG2-CG2 4.22Å; I2714-I2753 HydrophobicContact CG2-CD1 4.16Å; I2714-I2753 HydrophobicContact CG2-CG1 3.91Å |
| 2715 | L | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | 174.9 | -72.2 | 178.1 | 0 | 0 | 0 | 112.2 | L2630 Q2639 M2642 Y2711 A2712 L2717 C2718 S2719 I2752 | L2630-L2715 HydrophobicContact CD2-CB 3.75Å; L2630-L2715 HydrophobicContact CD2-CD1 4.28Å; Q2639-L2715 HydrophobicContact CG-CD2 4.41Å; M2642-L2715 HydrophobicContact CB-CB 4.26Å; M2642-L2715 HydrophobicContact CB-CD2 4.21Å; M2642-L2715 HydrophobicContact CG-CB 4.48Å; M2642-L2715 HydrophobicContact CG-CD2 4.37Å; M2642-L2715 WeakPolarHBondContact CG-O 3.38Å; M2642-L2715 HydrophobicContact SD-CD2 3.64Å; Y2711-L2715 HydrophobicContact CD1-CD1 3.73Å; Y2711-L2715 HydrophobicContact CD1-CG 4.21Å; Y2711-L2715 HydrophobicContact CE1-CD1 3.48Å; Y2711-L2715 VanDerWaalsContact CE1-CD1 3.48Å; Y2711-L2715 HydrophobicContact CE1-CD2 4.31Å; Y2711-L2715 HydrophobicContact CE1-CG 3.98Å; Y2711-L2715 WeakPolarHBondContact O-CG 3.21Å; Y2711-L2715 PolarHBondContact O-N 2.93Å; A2712-L2715 PolarHBondContact O-N 3.24Å; L2715-L2717 VanDerWaalsContact C-N 3.31Å; L2715-L2717 PolarHBondContact O-N 3.31Å; L2715-C2718 PolarHBondContact O-N 3.2Å; L2715-S2719 PolarHBondContact O-N 2.75Å; L2715-I2752 HydrophobicContact CD2-CD1 4.43Å; L2715-I2752 HydrophobicContact CD2-CG1 3.74Å |
| 2716 | A | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L2630 L2645 W2660 L2664 A2712 S2713 I2714 S2719 F2720 | L2630-A2716 HydrophobicContact CD1-CB 4.09Å; L2645-A2716 HydrophobicContact CD2-CB 4.45Å; W2660-A2716 HydrophobicContact CZ2-CB 4.42Å; L2664-A2716 HydrophobicContact CD1-CB 3.77Å; L2664-A2716 HydrophobicContact CD2-CB 4.03Å; A2712-A2716 WeakPolarHBondContact O-CB 3.48Å; A2712-A2716 PolarHBondContact O-N 2.87Å; S2713-A2716 WeakPolarHBondContact O-CB 3.47Å; S2713-A2716 PolarHBondContact O-N 3.39Å; I2714-A2716 VanDerWaalsContact C-N 3.33Å; I2714-A2716 PolarHBondContact O-N 3.14Å; A2716-S2719 WeakPolarHBondContact O-CB 3.38Å; A2716-S2719 PolarHBondContact O-N 2.75Å; A2716-S2719 PolarHBondContact O-OG 2.99Å; A2716-F2720 WeakPolarHBondContact O-CD2 3.49Å |
| 2717 | L | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.2 | -42.5 | 175 | -69 | 178.7 | 0 | 0 | 0 | 112.5 | I2661 L2664 I2665 I2668 S2713 I2714 L2715 S2719 F2720 I2735 L2739 | I2661-L2717 HydrophobicContact CD1-CD2 3.97Å; I2661-L2717 HydrophobicContact CG2-CD2 4.37Å; L2664-L2717 HydrophobicContact CB-CD2 4.12Å; L2664-L2717 HydrophobicContact CB-CG 4.27Å; L2664-L2717 HydrophobicContact CD1-CD2 3.96Å; L2664-L2717 HydrophobicContact CD1-CG 4.35Å; I2665-L2717 HydrophobicContact CG1-CD1 4.34Å; I2668-L2717 HydrophobicContact CD1-CD1 3.66Å; S2713-L2717 WeakPolarHBondContact O-CG 3.47Å; S2713-L2717 PolarHBondContact O-N 3.48Å; I2714-L2717 PolarHBondContact O-N 2.91Å; I2714-L2717 VanDerWaalsContact O-N 3.16Å; L2715-L2717 VanDerWaalsContact C-N 3.31Å; L2715-L2717 PolarHBondContact O-N 3.31Å; L2717-S2719 PolarHBondContact O-N 3.29Å; L2717-F2720 WeakPolarHBondContact O-CB 3.27Å; L2717-F2720 PolarHBondContact O-N 3.36Å; L2717-I2735 HydrophobicContact CB-CG2 3.88Å; L2717-I2735 HydrophobicContact CD2-CD1 4.4Å; L2717-I2735 HydrophobicContact CD2-CG1 4.34Å; L2717-I2735 HydrophobicContact CD2-CG2 4.01Å; L2717-I2735 HydrophobicContact CG-CG2 4.4Å; L2717-L2739 HydrophobicContact CB-CD1 4.24Å; L2717-L2739 HydrophobicContact CB-CD2 3.89Å; L2717-L2739 HydrophobicContact CB-CG 4.22Å; L2717-L2739 HydrophobicContact CD1-CD2 4.34Å |
| 2718 | C | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.4 | -33.4 | 173.7 | -72 | 0 | 0 | 0 | 0 | 112.2 | M2642 I2714 L2715 F2720 V2721 H2722 T2756 | M2642-C2718 HydrophobicContact CG-CB 4.43Å; M2642-C2718 HydrophobicContact SD-CB 3.62Å; I2714-C2718 PolarHBondContact O-N 3.48Å; I2714-C2718 PolarHBondContact O-SG 2.91Å; I2714-C2718 VanDerWaalsContact O-SG 3.36Å; L2715-C2718 PolarHBondContact O-N 3.2Å; C2718-F2720 VanDerWaalsContact C-N 3.26Å; C2718-F2720 PolarHBondContact O-N 3.03Å; C2718-V2721 WeakPolarHBondContact O-CB 3.49Å; C2718-V2721 PolarHBondContact O-N 3.37Å; C2718-V2721 VanDerWaalsContact O-N 3.1Å; C2718-H2722 PolarHBondContact O-N 3.31Å; C2718-T2756 HydrophobicContact CB-CG2 3.84Å; C2718-T2756 PolarHBondContact SG-OG1 3.28Å; C2718-T2756 VanDerWaalsContact SG-OG1 3.39Å |
| 2719 | S | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.8 | -30.9 | 176.1 | 81.6 | 0 | 0 | 0 | 0 | 113.1 | M2642 L2645 A2646 L2715 A2716 L2717 V2721 H2722 G2723 | M2642-S2719 VanDerWaalsContact O-CB 3.32Å; M2642-S2719 WeakPolarHBondContact O-CB 3.32Å; L2645-S2719 WeakPolarHBondContact CD2-OG 3.16Å; L2645-S2719 VanDerWaalsContact CG-OG 3.25Å; L2645-S2719 WeakPolarHBondContact CG-OG 3.31Å; A2646-S2719 WeakPolarHBondContact CA-O 3.05Å; A2646-S2719 WeakPolarHBondContact CB-O 3.35Å; L2715-S2719 PolarHBondContact O-N 2.75Å; A2716-S2719 WeakPolarHBondContact O-CB 3.38Å; A2716-S2719 PolarHBondContact O-N 2.75Å; A2716-S2719 PolarHBondContact O-OG 2.99Å; L2717-S2719 PolarHBondContact O-N 3.29Å; S2719-V2721 VanDerWaalsContact C-N 3.33Å; S2719-H2722 PolarHBondContact O-N 3.48Å; S2719-G2723 PolarHBondContact O-N 3.15Å |
| 2720 | F | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.6 | -31.9 | 174 | -81.2 | -87.6 | 0 | 0 | 0 | 112.2 | I2649 Y2656 W2660 I2661 A2716 L2717 C2718 N2724 Y2731 L2732 I2735 | I2649-F2720 HydrophobicContact CD1-CD1 3.91Å; I2649-F2720 HydrophobicContact CD1-CD2 3.97Å; I2649-F2720 HydrophobicContact CD1-CE1 3.96Å; I2649-F2720 HydrophobicContact CD1-CE2 4.01Å; I2649-F2720 HydrophobicContact CD1-CG 3.92Å; I2649-F2720 HydrophobicContact CD1-CZ 4.02Å; I2649-F2720 HydrophobicContact CG1-CE1 4.4Å; I2649-F2720 HydrophobicContact CG2-CD1 4.32Å; Y2656-F2720 HydrophobicContact CD2-CE1 4.21Å; W2660-F2720 HydrophobicContact CE3-CE2 4.1Å; W2660-F2720 HydrophobicContact CE3-CZ 4Å; W2660-F2720 HydrophobicContact CH2-CE2 4.13Å; W2660-F2720 AromaticContact CZ3-CE2 3.5Å; W2660-F2720 HydrophobicContact CZ3-CE2 3.5Å; W2660-F2720 VanDerWaalsContact CZ3-CE2 3.5Å; W2660-F2720 AromaticContact CZ3-CZ 3.57Å; W2660-F2720 HydrophobicContact CZ3-CZ 3.57Å; I2661-F2720 HydrophobicContact CD1-CD2 3.82Å; I2661-F2720 HydrophobicContact CD1-CE1 4.36Å; I2661-F2720 HydrophobicContact CD1-CE2 3.42Å; I2661-F2720 VanDerWaalsContact CD1-CE2 3.42Å; I2661-F2720 HydrophobicContact CD1-CG 4.45Å; I2661-F2720 HydrophobicContact CD1-CZ 3.72Å; A2716-F2720 WeakPolarHBondContact O-CD2 3.49Å; L2717-F2720 WeakPolarHBondContact O-CB 3.27Å; L2717-F2720 PolarHBondContact O-N 3.36Å; C2718-F2720 VanDerWaalsContact C-N 3.26Å; C2718-F2720 PolarHBondContact O-N 3.03Å; F2720-N2724 PolarHBondContact O-ND2 3.16Å; F2720-Y2731 AromaticContact CD1-CE2 3.88Å; F2720-Y2731 HydrophobicContact CD1-CE2 3.88Å; F2720-L2732 HydrophobicContact CB-CD1 4.28Å; F2720-I2735 HydrophobicContact CB-CD1 4.08Å; F2720-I2735 HydrophobicContact CG-CD1 4.24Å |
| 2721 | V | 95.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.9 | -51 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | C2718 S2719 G2723 N2724 L2732 I2736 L2739 T2756 Y2760 | C2718-V2721 WeakPolarHBondContact O-CB 3.49Å; C2718-V2721 PolarHBondContact O-N 3.37Å; C2718-V2721 VanDerWaalsContact O-N 3.1Å; S2719-V2721 VanDerWaalsContact C-N 3.33Å; V2721-G2723 VanDerWaalsContact C-N 3.33Å; V2721-G2723 PolarHBondContact O-N 3.34Å; V2721-N2724 PolarHBondContact O-N 3.07Å; V2721-L2732 HydrophobicContact CB-CD1 4.5Å; V2721-L2732 HydrophobicContact CG2-CD1 3.99Å; V2721-I2736 HydrophobicContact CG2-CG1 3.99Å; V2721-L2739 HydrophobicContact CG2-CD1 4.11Å; V2721-T2756 HydrophobicContact CB-CG2 3.76Å; V2721-T2756 HydrophobicContact CG1-CG2 3.88Å; V2721-T2756 HydrophobicContact CG2-CG2 4.22Å; V2721-Y2760 HydrophobicContact CG1-CD2 3.79Å; V2721-Y2760 HydrophobicContact CG1-CG 3.97Å |
| 2722 | H | 95.1 | Very high | 93.9 | Very high | 40 Ų | 40 | 29 Ų | 29 | 19% | 0.185 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.8 | -33.7 | 178.7 | -78.8 | -56.8 | 0 | 0 | 0 | 113.7 | F2643 A2646 C2718 S2719 N2724 | F2643-H2722 AromaticContact CE1-CD2 3.86Å; F2643-H2722 AromaticContact CE1-CE1 3.99Å; F2643-H2722 AromaticContact CE1-NE2 3.8Å; A2646-H2722 HydrophobicContact CB-CB 3.65Å; C2718-H2722 PolarHBondContact O-N 3.31Å; S2719-H2722 PolarHBondContact O-N 3.48Å; H2722-N2724 PolarHBondContact O-N 3.3Å |
| 2723 | G | 93.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -1.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A2646 E2650 S2719 V2721 P2725 | A2646-G2723 VanDerWaalsContact O-CA 3.26Å; A2646-G2723 WeakPolarHBondContact O-CA 3.37Å; E2650-G2723 WeakPolarHBondContact CA-O 3.39Å; S2719-G2723 PolarHBondContact O-N 3.15Å; V2721-G2723 VanDerWaalsContact C-N 3.33Å; V2721-G2723 PolarHBondContact O-N 3.34Å; G2723-P2725 VanDerWaalsContact C-CD 3.48Å |
| 2724 | N | 93.1 | Very high | 93.7 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | trans | -129 | 64.5 | 178.2 | -70.4 | -81.9 | 0 | 0 | 0 | 110.8 | F2720 V2721 H2722 H2726 K2727 P2729 Y2731 L2732 H2764 | F2720-N2724 PolarHBondContact O-ND2 3.16Å; V2721-N2724 PolarHBondContact O-N 3.07Å; H2722-N2724 PolarHBondContact O-N 3.3Å; N2724-H2726 VanDerWaalsContact C-N 3.31Å; N2724-H2726 PolarHBondContact O-N 2.94Å; N2724-K2727 WeakPolarHBondContact CB-O 3.39Å; N2724-P2729 WeakPolarHBondContact OD1-CG 3.32Å; N2724-Y2731 PolarHBondContact ND2-OH 3.01Å; N2724-L2732 HydrophobicContact CB-CD2 4.09Å; N2724-H2764 PolarHBondContact O-CE1 3.49Å; N2724-H2764 PolarHBondContact O-NE2 2.91Å | ||
| 2725 | P | 86.4 | Confident | 93.6 | Very high | 29 Ų | 29 | 31.1 Ų | 31.1 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -19.9 | -171.1 | 27.8 | -35.8 | 0 | 0 | 0 | 114.9 | G2723 T2763 H2764 | G2723-P2725 VanDerWaalsContact C-CD 3.48Å; P2725-T2763 VanDerWaalsContact O-CB 3.28Å; P2725-T2763 WeakPolarHBondContact O-CB 3.46Å; P2725-H2764 PolarHBondContact O-CE1 3.34Å; P2725-H2764 PolarHBondContact O-ND1 2.95Å |
| 2726 | H | 85.5 | Confident | 93.4 | Very high | 137 Ų | 137 | 31.1 Ų | 31.1 | 63% | 0.634 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | 6.7 | -173.8 | -59.1 | -53.4 | 0 | 0 | 0 | 114.2 | N2724 | N2724-H2726 VanDerWaalsContact C-N 3.31Å; N2724-H2726 PolarHBondContact O-N 2.94Å |
| 2727 | K | 87.3 | Confident | 93.2 | Very high | 149 Ų | 149 | 31.9 Ų | 31.9 | 65% | 0.648 | 16% | 0.163 | S | C | * | . | trans | -148.1 | 144.3 | -175.9 | -64.9 | -177.4 | -178.6 | 176.5 | 0 | 108.5 | N2724 P2729 H2764 | N2724-K2727 WeakPolarHBondContact CB-O 3.39Å; K2727-P2729 VanDerWaalsContact O-CD 3.27Å; K2727-P2729 WeakPolarHBondContact O-CD 3.18Å; K2727-H2764 PolarHBondContact N-NE2 3.41Å; K2727-H2764 PolarHBondContact O-NE2 3.49Å | ||
| 2728 | T | 92.3 | Very high | 93 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -107.3 | 98.5 | 168.2 | -50.8 | 0 | 0 | 0 | 0 | 108.7 | L2732 P2733 Y2760 H2764 Q2771 K2774 F2775 | T2728-L2732 HydrophobicContact CG2-CB 4.16Å; T2728-L2732 HydrophobicContact CG2-CD2 4.28Å; T2728-P2733 HydrophobicContact CG2-CG 3.76Å; T2728-Y2760 PolarHBondContact OG1-OH 3.08Å; T2728-H2764 PolarHBondContact OG1-CD2 2.96Å; T2728-Q2771 PolarHBondContact OG1-OE1 3.26Å; T2728-Q2771 VanDerWaalsContact OG1-OE1 3.12Å; T2728-K2774 HydrophobicContact CG2-CD 4.33Å; T2728-K2774 WeakPolarHBondContact O-CD 3.48Å; T2728-K2774 WeakPolarHBondContact O-CE 3.34Å; T2728-K2774 PolarHBondContact O-NZ 2.82Å; T2728-F2775 HydrophobicContact CG2-CE2 3.93Å; T2728-F2775 HydrophobicContact CG2-CZ 4.33Å | ||
| 2729 | P | 91.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 20% | 0.195 | 17% | 0.172 | C | C | . | . | trans | -61.7 | 155.8 | 170.8 | -23.6 | 34 | 0 | 0 | 0 | 111.7 | N2724 K2727 Y2731 L2732 P2733 | N2724-P2729 WeakPolarHBondContact OD1-CG 3.32Å; K2727-P2729 VanDerWaalsContact O-CD 3.27Å; K2727-P2729 WeakPolarHBondContact O-CD 3.18Å; P2729-Y2731 HydrophobicContact CB-CD1 3.76Å; P2729-Y2731 HydrophobicContact CB-CE1 3.37Å; P2729-Y2731 HydrophobicContact CB-CE2 4.2Å; P2729-Y2731 HydrophobicContact CB-CG 4.33Å; P2729-Y2731 HydrophobicContact CG-CE1 4Å; P2729-Y2731 HydrophobicContact CG-CE2 4.41Å; P2729-Y2731 PolarHBondContact O-N 3.28Å; P2729-L2732 VanDerWaalsContact O-CB 3.31Å; P2729-L2732 WeakPolarHBondContact O-CB 3.38Å; P2729-L2732 PolarHBondContact O-N 2.95Å; P2729-P2733 WeakPolarHBondContact O-CD 3.36Å | ||
| 2730 | D | 91.5 | Very high | 92.6 | Very high | 145 Ų | 145 | 34.2 Ų | 34.2 | 78% | 0.775 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.3 | -175 | -54.4 | -22.5 | 0 | 0 | 0 | 114 | ||
| 2731 | Y | 92.7 | Very high | 92.2 | Very high | 45 Ų | 45 | 38.2 Ų | 38.2 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -21.9 | 175.9 | 63.4 | -105.3 | 0 | 0 | 0 | 113.3 | Y2656 F2720 N2724 P2729 S2734 I2735 | Y2656-Y2731 AromaticContact CD1-CD1 3.98Å; Y2656-Y2731 HydrophobicContact CD1-CD1 3.98Å; Y2656-Y2731 HydrophobicContact CD1-CE1 4.38Å; Y2656-Y2731 HydrophobicContact CD1-CG 4.44Å; Y2656-Y2731 AromaticContact CD2-CD1 3.5Å; Y2656-Y2731 HydrophobicContact CD2-CD1 3.5Å; Y2656-Y2731 VanDerWaalsContact CD2-CD1 3.5Å; Y2656-Y2731 AromaticContact CD2-CD2 3.47Å; Y2656-Y2731 HydrophobicContact CD2-CD2 3.47Å; Y2656-Y2731 VanDerWaalsContact CD2-CD2 3.47Å; Y2656-Y2731 AromaticContact CD2-CE1 3.74Å; Y2656-Y2731 HydrophobicContact CD2-CE1 3.74Å; Y2656-Y2731 AromaticContact CD2-CE2 3.75Å; Y2656-Y2731 HydrophobicContact CD2-CE2 3.75Å; Y2656-Y2731 AromaticContact CD2-CG 3.35Å; Y2656-Y2731 HydrophobicContact CD2-CG 3.35Å; Y2656-Y2731 AromaticContact CD2-CZ 3.87Å; Y2656-Y2731 HydrophobicContact CE1-CD1 4.29Å; Y2656-Y2731 HydrophobicContact CE1-CG 4.42Å; Y2656-Y2731 AromaticContact CE2-CD1 3.8Å; Y2656-Y2731 HydrophobicContact CE2-CD1 3.8Å; Y2656-Y2731 AromaticContact CE2-CD2 3.57Å; Y2656-Y2731 HydrophobicContact CE2-CD2 3.57Å; Y2656-Y2731 HydrophobicContact CE2-CE1 4.48Å; Y2656-Y2731 HydrophobicContact CE2-CE2 4.32Å; Y2656-Y2731 AromaticContact CE2-CG 3.29Å; Y2656-Y2731 HydrophobicContact CE2-CG 3.29Å; Y2656-Y2731 AromaticContact CG-CD1 3.58Å; Y2656-Y2731 HydrophobicContact CG-CD1 3.58Å; Y2656-Y2731 HydrophobicContact CG-CD2 4.36Å; Y2656-Y2731 AromaticContact CG-CE1 3.66Å; Y2656-Y2731 HydrophobicContact CG-CE1 3.66Å; Y2656-Y2731 HydrophobicContact CG-CE2 4.47Å; Y2656-Y2731 AromaticContact CG-CG 3.96Å; Y2656-Y2731 HydrophobicContact CG-CG 3.96Å; Y2656-Y2731 AromaticContact CZ-CG 3.89Å; F2720-Y2731 AromaticContact CD1-CE2 3.88Å; F2720-Y2731 HydrophobicContact CD1-CE2 3.88Å; N2724-Y2731 PolarHBondContact ND2-OH 3.01Å; P2729-Y2731 HydrophobicContact CB-CD1 3.76Å; P2729-Y2731 HydrophobicContact CB-CE1 3.37Å; P2729-Y2731 HydrophobicContact CB-CE2 4.2Å; P2729-Y2731 HydrophobicContact CB-CG 4.33Å; P2729-Y2731 HydrophobicContact CG-CE1 4Å; P2729-Y2731 HydrophobicContact CG-CE2 4.41Å; P2729-Y2731 PolarHBondContact O-N 3.28Å; Y2731-S2734 PolarHBondContact O-N 3.45Å; Y2731-S2734 PolarHBondContact O-OG 3.09Å; Y2731-I2735 HydrophobicContact CD2-CD1 3.81Å; Y2731-I2735 HydrophobicContact CE2-CD1 4.28Å; Y2731-I2735 PolarHBondContact O-N 3.05Å |
| 2732 | L | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.2 | -39.1 | -168.7 | -169.5 | 64.5 | 0 | 0 | 0 | 113.7 | F2720 V2721 N2724 T2728 P2729 S2734 I2735 I2736 Y2760 | F2720-L2732 HydrophobicContact CB-CD1 4.28Å; V2721-L2732 HydrophobicContact CB-CD1 4.5Å; V2721-L2732 HydrophobicContact CG2-CD1 3.99Å; N2724-L2732 HydrophobicContact CB-CD2 4.09Å; T2728-L2732 HydrophobicContact CG2-CB 4.16Å; T2728-L2732 HydrophobicContact CG2-CD2 4.28Å; P2729-L2732 VanDerWaalsContact O-CB 3.31Å; P2729-L2732 WeakPolarHBondContact O-CB 3.38Å; P2729-L2732 PolarHBondContact O-N 2.95Å; L2732-S2734 VanDerWaalsContact C-N 3.27Å; L2732-S2734 PolarHBondContact O-N 3.4Å; L2732-I2735 PolarHBondContact O-N 3.06Å; L2732-I2735 VanDerWaalsContact O-N 3.1Å; L2732-I2736 HydrophobicContact CD2-CD1 4.42Å; L2732-I2736 HydrophobicContact CG-CD1 4Å; L2732-I2736 HydrophobicContact CG-CG1 4.43Å; L2732-I2736 WeakPolarHBondContact O-CG1 3.22Å; L2732-I2736 PolarHBondContact O-N 3.05Å; L2732-Y2760 HydrophobicContact CD2-CE2 4.14Å |
| 2733 | P | 94 | Very high | 91.4 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.9 | -41.4 | 174.2 | -30.5 | 38.4 | 0 | 0 | 0 | 113.2 | T2728 P2729 I2735 I2736 S2737 K2774 F2775 Q2779 | T2728-P2733 HydrophobicContact CG2-CG 3.76Å; P2729-P2733 WeakPolarHBondContact O-CD 3.36Å; P2733-I2735 VanDerWaalsContact C-N 3.35Å; P2733-I2735 PolarHBondContact O-N 3.3Å; P2733-I2736 PolarHBondContact O-N 3.39Å; P2733-S2737 PolarHBondContact O-N 3.26Å; P2733-K2774 HydrophobicContact CG-CB 4.28Å; P2733-K2774 WeakPolarHBondContact CG-O 3.31Å; P2733-F2775 HydrophobicContact CB-CD1 3.68Å; P2733-F2775 HydrophobicContact CB-CD2 4.29Å; P2733-F2775 HydrophobicContact CB-CE1 3.8Å; P2733-F2775 HydrophobicContact CB-CE2 4.41Å; P2733-F2775 HydrophobicContact CB-CG 3.92Å; P2733-F2775 HydrophobicContact CB-CZ 4.17Å; P2733-F2775 HydrophobicContact CG-CD1 4.35Å; P2733-F2775 HydrophobicContact CG-CD2 4.11Å; P2733-F2775 HydrophobicContact CG-CE1 4.31Å; P2733-F2775 HydrophobicContact CG-CE2 4.07Å; P2733-F2775 HydrophobicContact CG-CG 4.24Å; P2733-F2775 HydrophobicContact CG-CZ 4.17Å; P2733-Q2779 VanDerWaalsContact CB-OE1 3.26Å |
| 2734 | S | 93.1 | Very high | 90.9 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 32% | 0.315 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 177 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | Y2731 L2732 E2738 | Y2731-S2734 PolarHBondContact O-N 3.45Å; Y2731-S2734 PolarHBondContact O-OG 3.09Å; L2732-S2734 VanDerWaalsContact C-N 3.27Å; L2732-S2734 PolarHBondContact O-N 3.4Å; S2734-E2738 WeakPolarHBondContact O-CB 3.42Å; S2734-E2738 PolarHBondContact O-N 2.95Å; S2734-E2738 VanDerWaalsContact O-N 3.08Å |
| 2735 | I | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 176.2 | -65.2 | 176 | 0 | 0 | 0 | 110.8 | I2661 L2717 F2720 Y2731 L2732 P2733 E2738 L2739 | I2661-I2735 HydrophobicContact CD1-CD1 4.06Å; I2661-I2735 HydrophobicContact CG2-CD1 4.29Å; I2661-I2735 HydrophobicContact CG2-CG1 4.22Å; L2717-I2735 HydrophobicContact CB-CG2 3.88Å; L2717-I2735 HydrophobicContact CD2-CD1 4.4Å; L2717-I2735 HydrophobicContact CD2-CG1 4.34Å; L2717-I2735 HydrophobicContact CD2-CG2 4.01Å; L2717-I2735 HydrophobicContact CG-CG2 4.4Å; F2720-I2735 HydrophobicContact CB-CD1 4.08Å; F2720-I2735 HydrophobicContact CG-CD1 4.24Å; Y2731-I2735 HydrophobicContact CD2-CD1 3.81Å; Y2731-I2735 HydrophobicContact CE2-CD1 4.28Å; Y2731-I2735 PolarHBondContact O-N 3.05Å; L2732-I2735 PolarHBondContact O-N 3.06Å; L2732-I2735 VanDerWaalsContact O-N 3.1Å; P2733-I2735 VanDerWaalsContact C-N 3.35Å; P2733-I2735 PolarHBondContact O-N 3.3Å; I2735-E2738 PolarHBondContact O-N 3.49Å; I2735-L2739 HydrophobicContact CG2-CD1 4.01Å; I2735-L2739 HydrophobicContact CG2-CG 4.4Å; I2735-L2739 WeakPolarHBondContact O-CB 3.45Å; I2735-L2739 VanDerWaalsContact O-CG 3.29Å; I2735-L2739 WeakPolarHBondContact O-CG 3.37Å; I2735-L2739 PolarHBondContact O-N 3.42Å |
| 2736 | I | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 179.5 | -72.9 | 168.7 | 0 | 0 | 0 | 111.1 | V2721 L2732 P2733 L2739 A2740 L2757 Y2760 F2775 Y2783 | V2721-I2736 HydrophobicContact CG2-CG1 3.99Å; L2732-I2736 HydrophobicContact CD2-CD1 4.42Å; L2732-I2736 HydrophobicContact CG-CD1 4Å; L2732-I2736 HydrophobicContact CG-CG1 4.43Å; L2732-I2736 WeakPolarHBondContact O-CG1 3.22Å; L2732-I2736 PolarHBondContact O-N 3.05Å; P2733-I2736 PolarHBondContact O-N 3.39Å; I2736-L2739 PolarHBondContact O-N 2.95Å; I2736-A2740 PolarHBondContact O-N 2.97Å; I2736-L2757 HydrophobicContact CB-CD2 4.39Å; I2736-L2757 HydrophobicContact CG1-CD2 4.09Å; I2736-L2757 HydrophobicContact CG2-CD2 3.78Å; I2736-Y2760 HydrophobicContact CD1-CD1 4.19Å; I2736-Y2760 HydrophobicContact CD1-CD2 4.29Å; I2736-Y2760 HydrophobicContact CD1-CE1 3.88Å; I2736-Y2760 HydrophobicContact CD1-CE2 3.99Å; I2736-Y2760 HydrophobicContact CD1-CG 4.39Å; I2736-F2775 HydrophobicContact CB-CE1 4.22Å; I2736-F2775 HydrophobicContact CD1-CE1 4.14Å; I2736-F2775 HydrophobicContact CD1-CZ 3.77Å; I2736-F2775 HydrophobicContact CG2-CE1 4.03Å; I2736-Y2783 HydrophobicContact CG2-CD2 3.62Å; I2736-Y2783 HydrophobicContact CG2-CE2 4.45Å; I2736-Y2783 HydrophobicContact CG2-CG 4.18Å |
| 2737 | S | 92.9 | Very high | 90.4 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 176.5 | -165.4 | 0 | 0 | 0 | 0 | 111.3 | P2733 L2739 A2740 D2741 N2782 | P2733-S2737 PolarHBondContact O-N 3.26Å; S2737-L2739 VanDerWaalsContact C-N 3.33Å; S2737-L2739 PolarHBondContact O-N 3.49Å; S2737-A2740 WeakPolarHBondContact O-CB 3.33Å; S2737-A2740 PolarHBondContact O-N 3.17Å; S2737-A2740 VanDerWaalsContact O-N 3.09Å; S2737-D2741 PolarHBondContact O-N 3.35Å; S2737-N2782 PolarHBondContact OG-ND2 2.83Å |
| 2738 | E | 93.8 | Very high | 90.2 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.6 | -166.3 | 77.7 | -156.7 | 0 | 0 | 112 | I2665 I2668 N2669 S2734 I2735 A2740 D2741 H2742 | I2665-E2738 HydrophobicContact CD1-CG 4.47Å; I2665-E2738 HydrophobicContact CG1-CG 4.15Å; I2665-E2738 HydrophobicContact CG2-CG 4.08Å; I2665-E2738 WeakPolarHBondContact CG2-OE1 3.33Å; I2668-E2738 HydrophobicContact CD1-CG 3.54Å; N2669-E2738 PolarHBondContact ND2-OE1 3.36Å; S2734-E2738 WeakPolarHBondContact O-CB 3.42Å; S2734-E2738 PolarHBondContact O-N 2.95Å; S2734-E2738 VanDerWaalsContact O-N 3.08Å; I2735-E2738 PolarHBondContact O-N 3.49Å; E2738-A2740 VanDerWaalsContact C-N 3.28Å; E2738-A2740 PolarHBondContact O-N 2.85Å; E2738-D2741 PolarHBondContact O-N 3.22Å; E2738-H2742 PolarHBondContact O-CD2 2.82Å; E2738-H2742 VanDerWaalsContact O-CD2 3.31Å |
| 2739 | L | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.1 | -36.5 | 174.9 | -74.8 | 171.8 | 0 | 0 | 0 | 112 | I2714 L2717 V2721 I2735 I2736 S2737 D2741 H2742 I2753 | I2714-L2739 HydrophobicContact CB-CD2 4.5Å; I2714-L2739 HydrophobicContact CG2-CD2 3.88Å; L2717-L2739 HydrophobicContact CB-CD1 4.24Å; L2717-L2739 HydrophobicContact CB-CD2 3.89Å; L2717-L2739 HydrophobicContact CB-CG 4.22Å; L2717-L2739 HydrophobicContact CD1-CD2 4.34Å; V2721-L2739 HydrophobicContact CG2-CD1 4.11Å; I2735-L2739 HydrophobicContact CG2-CD1 4.01Å; I2735-L2739 HydrophobicContact CG2-CG 4.4Å; I2735-L2739 WeakPolarHBondContact O-CB 3.45Å; I2735-L2739 VanDerWaalsContact O-CG 3.29Å; I2735-L2739 WeakPolarHBondContact O-CG 3.37Å; I2735-L2739 PolarHBondContact O-N 3.42Å; I2736-L2739 PolarHBondContact O-N 2.95Å; S2737-L2739 VanDerWaalsContact C-N 3.33Å; S2737-L2739 PolarHBondContact O-N 3.49Å; L2739-D2741 VanDerWaalsContact C-N 3.28Å; L2739-D2741 PolarHBondContact O-N 3.09Å; L2739-H2742 PolarHBondContact O-N 3.37Å; L2739-I2753 HydrophobicContact CB-CG2 4.36Å; L2739-I2753 HydrophobicContact CD2-CG1 4.35Å; L2739-I2753 WeakPolarHBondContact O-CD1 3.27Å |
| 2740 | A | 90.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -32.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I2736 S2737 E2738 H2742 L2743 N2782 V2786 | I2736-A2740 PolarHBondContact O-N 2.97Å; S2737-A2740 WeakPolarHBondContact O-CB 3.33Å; S2737-A2740 PolarHBondContact O-N 3.17Å; S2737-A2740 VanDerWaalsContact O-N 3.09Å; E2738-A2740 VanDerWaalsContact C-N 3.28Å; E2738-A2740 PolarHBondContact O-N 2.85Å; A2740-H2742 PolarHBondContact O-N 3.47Å; A2740-L2743 VanDerWaalsContact O-CG 3.31Å; A2740-L2743 WeakPolarHBondContact O-CG 3.25Å; A2740-L2743 PolarHBondContact O-N 3.49Å; A2740-N2782 HydrophobicContact CB-CB 4.05Å; A2740-V2786 HydrophobicContact CB-CG2 3.37Å |
| 2741 | D | 89.2 | Confident | 89.8 | Confident | 85 Ų | 85 | 42.8 Ų | 42.8 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.6 | -18 | -179.7 | -61.6 | -22.4 | 0 | 0 | 0 | 112.7 | S2737 E2738 L2739 N2782 | S2737-D2741 PolarHBondContact O-N 3.35Å; E2738-D2741 PolarHBondContact O-N 3.22Å; L2739-D2741 VanDerWaalsContact C-N 3.28Å; L2739-D2741 PolarHBondContact O-N 3.09Å; D2741-N2782 PolarHBondContact OD1-ND2 3.1Å |
| 2742 | H | 89.4 | Confident | 89.8 | Confident | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.06 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -92.9 | 14.6 | 178.3 | -73 | -75.3 | 0 | 0 | 0 | 114.6 | I2668 I2714 E2738 L2739 A2740 H2744 D2745 I2749 I2753 | I2668-H2742 WeakPolarHBondContact CD1-NE2 3.38Å; I2668-H2742 VanDerWaalsContact CG1-NE2 3.35Å; I2668-H2742 WeakPolarHBondContact CG1-NE2 3.48Å; I2668-H2742 PolarHBondContact O-CE1 2.75Å; I2714-H2742 HydrophobicContact CD1-CB 4.24Å; E2738-H2742 PolarHBondContact O-CD2 2.82Å; E2738-H2742 VanDerWaalsContact O-CD2 3.31Å; L2739-H2742 PolarHBondContact O-N 3.37Å; A2740-H2742 PolarHBondContact O-N 3.47Å; H2742-H2744 PolarHBondContact O-N 3.5Å; H2742-D2745 IonicContact CG-OD2 2.82Å; H2742-D2745 IonicContact ND1-OD2 2.85Å; H2742-D2745 PolarHBondContact ND1-OD2 3.33Å; H2742-D2745 WeakPolarHBondContact O-CB 3.37Å; H2742-D2745 PolarHBondContact O-N 3.09Å; H2742-I2749 HydrophobicContact CB-CG2 4.44Å; H2742-I2753 HydrophobicContact CB-CD1 3.88Å |
| 2743 | L | 84.1 | Confident | 89.6 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -65.9 | -20.4 | 176.7 | -78.5 | 176.2 | 0 | 0 | 0 | 114.5 | A2740 D2745 K2750 I2753 F2785 V2786 | A2740-L2743 VanDerWaalsContact O-CG 3.31Å; A2740-L2743 WeakPolarHBondContact O-CG 3.25Å; A2740-L2743 PolarHBondContact O-N 3.49Å; L2743-D2745 VanDerWaalsContact C-N 3.33Å; L2743-K2750 HydrophobicContact CD2-CG 3.98Å; L2743-K2750 WeakPolarHBondContact O-CD 3.18Å; L2743-I2753 HydrophobicContact CD2-CB 4.35Å; L2743-I2753 HydrophobicContact CD2-CG2 3.95Å; L2743-F2785 HydrophobicContact CD1-CD1 4.26Å; L2743-F2785 HydrophobicContact CD1-CE1 4.41Å; L2743-V2786 HydrophobicContact CD1-CB 3.88Å; L2743-V2786 HydrophobicContact CD1-CG1 3.79Å; L2743-V2786 HydrophobicContact CD1-CG2 3.42Å; L2743-V2786 VanDerWaalsContact CD1-CG2 3.42Å; L2743-V2786 HydrophobicContact CD2-CG1 3.9Å; L2743-V2786 HydrophobicContact CG-CG1 4.33Å; L2743-V2786 HydrophobicContact CG-CG2 4.21Å |
| 2744 | H | 83.2 | Confident | 89.5 | Confident | 158 Ų | 158 | 42 Ų | 42 | 73% | 0.731 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -86.1 | -4.4 | 178.4 | -58.7 | -58.1 | 0 | 0 | 0 | 113.7 | H2742 | H2742-H2744 PolarHBondContact O-N 3.5Š|
| 2745 | D | 85.2 | Confident | 89.3 | Confident | 37 Ų | 37 | 42.4 Ų | 42.4 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -71.1 | 179.4 | 174.5 | -78.6 | -14.6 | 0 | 0 | 0 | 111.9 | R2710 H2742 L2743 I2749 | R2710-D2745 VanDerWaalsContact CD-OD2 3.25Å; R2710-D2745 WeakPolarHBondContact CD-OD2 3.46Å; R2710-D2745 IonicContact CZ-OD2 3.42Å; R2710-D2745 IonicContact NE-OD2 3.62Å; R2710-D2745 IonicContact NH1-OD1 2.73Å; R2710-D2745 PolarHBondContact NH1-OD1 2.9Å; R2710-D2745 IonicContact NH1-OD2 2.84Å; R2710-D2745 PolarHBondContact NH1-OD2 2.93Å; H2742-D2745 IonicContact CG-OD2 2.82Å; H2742-D2745 IonicContact ND1-OD2 2.85Å; H2742-D2745 PolarHBondContact ND1-OD2 3.33Å; H2742-D2745 WeakPolarHBondContact O-CB 3.37Å; H2742-D2745 PolarHBondContact O-N 3.09Å; L2743-D2745 VanDerWaalsContact C-N 3.33Å; D2745-I2749 HydrophobicContact CB-CB 3.97Å; D2745-I2749 HydrophobicContact CB-CD1 3.81Å; D2745-I2749 HydrophobicContact CB-CG1 4.48Å; D2745-I2749 HydrophobicContact CB-CG2 3.74Å |
| 2746 | S | 84.5 | Confident | 89.2 | Confident | 45 Ų | 45 | 42.4 Ų | 42.4 | 32% | 0.315 | 22% | 0.221 | S | C | . | . | trans | -44.5 | 148.3 | 179.3 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | S2748 I2749 K2750 | S2746-S2748 PolarHBondContact O-N 3.37Å; S2746-I2749 WeakPolarHBondContact O-CA 3.46Å; S2746-I2749 WeakPolarHBondContact O-CB 3.43Å; S2746-I2749 PolarHBondContact O-N 3.27Å; S2746-K2750 PolarHBondContact O-N 3.46Å; S2746-K2750 VanDerWaalsContact O-N 3.12Å | ||
| 2747 | Q | 83.7 | Confident | 89 | Confident | 144 Ų | 144 | 42.5 Ų | 42.5 | 67% | 0.673 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -53.1 | -33.9 | -174.6 | -174.5 | 64.4 | -3.9 | 0 | 0 | 114.2 | I2749 K2751 | Q2747-I2749 VanDerWaalsContact C-N 3.34Å; Q2747-I2749 PolarHBondContact O-N 2.89Å; Q2747-K2751 VanDerWaalsContact O-CB 3.31Å; Q2747-K2751 WeakPolarHBondContact O-CB 3.32Å; Q2747-K2751 PolarHBondContact O-N 3.19Å |
| 2748 | S | 85.1 | Confident | 88.8 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 38% | 0.378 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64 | -37.3 | 176.2 | -57 | 0 | 0 | 0 | 0 | 112.8 | S2746 I2752 | S2746-S2748 PolarHBondContact O-N 3.37Å; S2748-I2752 PolarHBondContact O-N 3.4Å |
| 2749 | I | 88.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.3 | -52.3 | 175.7 | -72.5 | 168.2 | 0 | 0 | 0 | 109.9 | L2707 R2710 Y2711 I2714 H2742 D2745 S2746 Q2747 K2751 I2752 I2753 | L2707-I2749 HydrophobicContact CD1-CD1 4.09Å; R2710-I2749 HydrophobicContact CG-CD1 4.26Å; Y2711-I2749 HydrophobicContact CD2-CG1 3.63Å; Y2711-I2749 HydrophobicContact CE2-CG1 4.3Å; I2714-I2749 HydrophobicContact CD1-CB 4.32Å; I2714-I2749 HydrophobicContact CD1-CD1 3.96Å; I2714-I2749 HydrophobicContact CD1-CG1 3.98Å; I2714-I2749 HydrophobicContact CD1-CG2 3.38Å; H2742-I2749 HydrophobicContact CB-CG2 4.44Å; D2745-I2749 HydrophobicContact CB-CB 3.97Å; D2745-I2749 HydrophobicContact CB-CD1 3.81Å; D2745-I2749 HydrophobicContact CB-CG1 4.48Å; D2745-I2749 HydrophobicContact CB-CG2 3.74Å; S2746-I2749 WeakPolarHBondContact O-CA 3.46Å; S2746-I2749 WeakPolarHBondContact O-CB 3.43Å; S2746-I2749 PolarHBondContact O-N 3.27Å; Q2747-I2749 VanDerWaalsContact C-N 3.34Å; Q2747-I2749 PolarHBondContact O-N 2.89Å; I2749-K2751 VanDerWaalsContact C-N 3.28Å; I2749-K2751 PolarHBondContact O-N 3.35Å; I2749-I2752 VanDerWaalsContact O-CG2 3.27Å; I2749-I2752 WeakPolarHBondContact O-CG2 3.5Å; I2749-I2752 PolarHBondContact O-N 3.26Å; I2749-I2753 HydrophobicContact CG2-CD1 3.46Å; I2749-I2753 VanDerWaalsContact CG2-CD1 3.46Å; I2749-I2753 HydrophobicContact CG2-CG1 4.45Å; I2749-I2753 WeakPolarHBondContact O-CG1 3.29Å; I2749-I2753 PolarHBondContact O-N 3.5Å; I2749-I2753 VanDerWaalsContact O-N 3.09Å |
| 2750 | K | 88.7 | Confident | 88.4 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -51.9 | -48.9 | 177.5 | -177.2 | 172.3 | -175.4 | 154.3 | 0 | 111.3 | L2743 S2746 I2752 I2753 S2754 E2789 | L2743-K2750 HydrophobicContact CD2-CG 3.98Å; L2743-K2750 WeakPolarHBondContact O-CD 3.18Å; S2746-K2750 PolarHBondContact O-N 3.46Å; S2746-K2750 VanDerWaalsContact O-N 3.12Å; K2750-I2752 PolarHBondContact O-N 2.99Å; K2750-I2753 PolarHBondContact O-N 3.1Å; K2750-S2754 PolarHBondContact O-N 3.44Å; K2750-S2754 PolarHBondContact O-OG 3.27Å; K2750-S2754 VanDerWaalsContact O-OG 3.1Å; K2750-E2789 IonicContact NZ-OE2 3.64Å; K2750-E2789 PolarHBondContact NZ-OE2 3.01Å |
| 2751 | K | 88.9 | Confident | 88.3 | Confident | 151 Ų | 151 | 46.1 Ų | 46.1 | 66% | 0.657 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -59.2 | -44.5 | -178.6 | -174 | 179.1 | 179.5 | -177.6 | 0 | 113.1 | Q2747 I2749 S2755 | Q2747-K2751 VanDerWaalsContact O-CB 3.31Å; Q2747-K2751 WeakPolarHBondContact O-CB 3.32Å; Q2747-K2751 PolarHBondContact O-N 3.19Å; I2749-K2751 VanDerWaalsContact C-N 3.28Å; I2749-K2751 PolarHBondContact O-N 3.35Å; K2751-S2755 VanDerWaalsContact O-CB 3.25Å; K2751-S2755 WeakPolarHBondContact O-CB 3.29Å; K2751-S2755 PolarHBondContact O-N 3.39Å |
| 2752 | I | 91.7 | Very high | 88.2 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.5 | -37 | -177.4 | -164.1 | 62.4 | 0 | 0 | 0 | 111.8 | Q2639 M2642 Y2711 I2714 L2715 S2748 I2749 K2750 S2755 T2756 | Q2639-I2752 HydrophobicContact CG-CD1 4.4Å; M2642-I2752 HydrophobicContact CE-CD1 4.2Å; M2642-I2752 HydrophobicContact SD-CD1 4.43Å; M2642-I2752 HydrophobicContact SD-CG1 4.39Å; Y2711-I2752 HydrophobicContact CE2-CG2 3.84Å; I2714-I2752 HydrophobicContact CG2-CG2 4.22Å; L2715-I2752 HydrophobicContact CD2-CD1 4.43Å; L2715-I2752 HydrophobicContact CD2-CG1 3.74Å; S2748-I2752 PolarHBondContact O-N 3.4Å; I2749-I2752 VanDerWaalsContact O-CG2 3.27Å; I2749-I2752 WeakPolarHBondContact O-CG2 3.5Å; I2749-I2752 PolarHBondContact O-N 3.26Å; K2750-I2752 PolarHBondContact O-N 2.99Å; I2752-S2755 PolarHBondContact O-N 3.12Å; I2752-T2756 VanDerWaalsContact O-CB 3.32Å; I2752-T2756 WeakPolarHBondContact O-CB 3.48Å; I2752-T2756 PolarHBondContact O-N 2.83Å; I2752-T2756 PolarHBondContact O-OG1 2.98Å |
| 2753 | I | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -52.8 | 175.5 | -68.1 | 161.2 | 0 | 0 | 0 | 110 | I2714 L2739 H2742 L2743 I2749 K2750 S2755 T2756 L2757 | I2714-I2753 HydrophobicContact CG2-CD1 4.16Å; I2714-I2753 HydrophobicContact CG2-CG1 3.91Å; L2739-I2753 HydrophobicContact CB-CG2 4.36Å; L2739-I2753 HydrophobicContact CD2-CG1 4.35Å; L2739-I2753 WeakPolarHBondContact O-CD1 3.27Å; H2742-I2753 HydrophobicContact CB-CD1 3.88Å; L2743-I2753 HydrophobicContact CD2-CB 4.35Å; L2743-I2753 HydrophobicContact CD2-CG2 3.95Å; I2749-I2753 HydrophobicContact CG2-CD1 3.46Å; I2749-I2753 VanDerWaalsContact CG2-CD1 3.46Å; I2749-I2753 HydrophobicContact CG2-CG1 4.45Å; I2749-I2753 WeakPolarHBondContact O-CG1 3.29Å; I2749-I2753 PolarHBondContact O-N 3.5Å; I2749-I2753 VanDerWaalsContact O-N 3.09Å; K2750-I2753 PolarHBondContact O-N 3.1Å; I2753-S2755 VanDerWaalsContact C-N 3.29Å; I2753-S2755 PolarHBondContact O-N 3.48Å; I2753-T2756 PolarHBondContact O-N 3.16Å; I2753-T2756 VanDerWaalsContact O-N 3.14Å; I2753-L2757 HydrophobicContact CG2-CD1 3.98Å; I2753-L2757 HydrophobicContact CG2-CG 4.38Å; I2753-L2757 WeakPolarHBondContact O-CG 3.44Å; I2753-L2757 PolarHBondContact O-N 3.29Å |
| 2754 | S | 89.8 | Confident | 88.3 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 178.6 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | K2750 S2758 | K2750-S2754 PolarHBondContact O-N 3.44Å; K2750-S2754 PolarHBondContact O-OG 3.27Å; K2750-S2754 VanDerWaalsContact O-OG 3.1Å; S2754-S2758 WeakPolarHBondContact O-CB 3.44Å; S2754-S2758 PolarHBondContact O-N 3.5Å |
| 2755 | S | 89.8 | Confident | 88.5 | Confident | 52 Ų | 52 | 52 Ų | 52 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 177 | -176.8 | 0 | 0 | 0 | 0 | 112.9 | K2751 I2752 I2753 S2759 | K2751-S2755 VanDerWaalsContact O-CB 3.25Å; K2751-S2755 WeakPolarHBondContact O-CB 3.29Å; K2751-S2755 PolarHBondContact O-N 3.39Å; I2752-S2755 PolarHBondContact O-N 3.12Å; I2753-S2755 VanDerWaalsContact C-N 3.29Å; I2753-S2755 PolarHBondContact O-N 3.48Å; S2755-S2759 WeakPolarHBondContact O-CB 3.27Å; S2755-S2759 PolarHBondContact O-N 2.95Å; S2755-S2759 PolarHBondContact O-OG 2.7Å |
| 2756 | T | 92.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 177.7 | -58 | 0 | 0 | 0 | 0 | 110.6 | C2718 V2721 I2752 I2753 S2759 Y2760 | C2718-T2756 HydrophobicContact CB-CG2 3.84Å; C2718-T2756 PolarHBondContact SG-OG1 3.28Å; C2718-T2756 VanDerWaalsContact SG-OG1 3.39Å; V2721-T2756 HydrophobicContact CB-CG2 3.76Å; V2721-T2756 HydrophobicContact CG1-CG2 3.88Å; V2721-T2756 HydrophobicContact CG2-CG2 4.22Å; I2752-T2756 VanDerWaalsContact O-CB 3.32Å; I2752-T2756 WeakPolarHBondContact O-CB 3.48Å; I2752-T2756 PolarHBondContact O-N 2.83Å; I2752-T2756 PolarHBondContact O-OG1 2.98Å; I2753-T2756 PolarHBondContact O-N 3.16Å; I2753-T2756 VanDerWaalsContact O-N 3.14Å; T2756-S2759 WeakPolarHBondContact O-CB 3.5Å; T2756-S2759 PolarHBondContact O-N 3.43Å; T2756-Y2760 PolarHBondContact O-N 2.91Å |
| 2757 | L | 91.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72 | -33.4 | -178.2 | -64.3 | -174.9 | 0 | 0 | 0 | 112.9 | I2736 I2753 S2759 Y2760 S2761 Y2783 V2786 | I2736-L2757 HydrophobicContact CB-CD2 4.39Å; I2736-L2757 HydrophobicContact CG1-CD2 4.09Å; I2736-L2757 HydrophobicContact CG2-CD2 3.78Å; I2753-L2757 HydrophobicContact CG2-CD1 3.98Å; I2753-L2757 HydrophobicContact CG2-CG 4.38Å; I2753-L2757 WeakPolarHBondContact O-CG 3.44Å; I2753-L2757 PolarHBondContact O-N 3.29Å; L2757-S2759 VanDerWaalsContact C-N 3.34Å; L2757-Y2760 PolarHBondContact O-N 3.34Å; L2757-S2761 WeakPolarHBondContact O-CB 3.37Å; L2757-S2761 PolarHBondContact O-N 3.32Å; L2757-Y2783 HydrophobicContact CB-CE2 4.25Å; L2757-Y2783 HydrophobicContact CD1-CD2 4.38Å; L2757-Y2783 HydrophobicContact CD2-CD2 4.34Å; L2757-Y2783 HydrophobicContact CD2-CE2 4.34Å; L2757-V2786 HydrophobicContact CD1-CB 3.91Å; L2757-V2786 HydrophobicContact CD1-CG1 3.79Å; L2757-V2786 HydrophobicContact CD1-CG2 3.81Å |
| 2758 | S | 88.5 | Confident | 88.7 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 46% | 0.462 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 168.8 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | S2754 S2761 R2762 | S2754-S2758 WeakPolarHBondContact O-CB 3.44Å; S2754-S2758 PolarHBondContact O-N 3.5Å; S2758-S2761 WeakPolarHBondContact O-CB 3.45Å; S2758-S2761 PolarHBondContact O-N 3.09Å; S2758-R2762 PolarHBondContact O-N 3.41Å |
| 2759 | S | 87.5 | Confident | 88.8 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 175.5 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | S2755 T2756 L2757 R2762 T2763 | S2755-S2759 WeakPolarHBondContact O-CB 3.27Å; S2755-S2759 PolarHBondContact O-N 2.95Å; S2755-S2759 PolarHBondContact O-OG 2.7Å; T2756-S2759 WeakPolarHBondContact O-CB 3.5Å; T2756-S2759 PolarHBondContact O-N 3.43Å; L2757-S2759 VanDerWaalsContact C-N 3.34Å; S2759-R2762 PolarHBondContact O-N 3.39Å; S2759-T2763 WeakPolarHBondContact O-CG2 3.47Å; S2759-T2763 PolarHBondContact O-N 3.42Å; S2759-T2763 VanDerWaalsContact O-N 3.08Å; S2759-T2763 PolarHBondContact O-OG1 3.27Å |
| 2760 | Y | 91.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 173 | 175.3 | -99.3 | 0 | 0 | 0 | 111.6 | V2721 T2728 L2732 I2736 T2756 L2757 R2762 T2763 H2764 W2768 F2775 Y2783 | V2721-Y2760 HydrophobicContact CG1-CD2 3.79Å; V2721-Y2760 HydrophobicContact CG1-CG 3.97Å; T2728-Y2760 PolarHBondContact OG1-OH 3.08Å; L2732-Y2760 HydrophobicContact CD2-CE2 4.14Å; I2736-Y2760 HydrophobicContact CD1-CD1 4.19Å; I2736-Y2760 HydrophobicContact CD1-CD2 4.29Å; I2736-Y2760 HydrophobicContact CD1-CE1 3.88Å; I2736-Y2760 HydrophobicContact CD1-CE2 3.99Å; I2736-Y2760 HydrophobicContact CD1-CG 4.39Å; T2756-Y2760 PolarHBondContact O-N 2.91Å; L2757-Y2760 PolarHBondContact O-N 3.34Å; Y2760-R2762 VanDerWaalsContact C-N 3.32Å; Y2760-R2762 PolarHBondContact O-N 3.49Å; Y2760-T2763 WeakPolarHBondContact CA-OG1 3.5Å; Y2760-T2763 PolarHBondContact O-N 2.97Å; Y2760-T2763 VanDerWaalsContact O-N 3.14Å; Y2760-T2763 PolarHBondContact O-OG1 3.4Å; Y2760-H2764 AromaticContact CD2-CE1 3.47Å; Y2760-H2764 VanDerWaalsContact CD2-CE1 3.47Å; Y2760-H2764 WeakPolarHBondContact CD2-CE1 3.25Å; Y2760-H2764 AromaticContact CD2-ND1 3.52Å; Y2760-H2764 AromaticContact CD2-NE2 3.98Å; Y2760-H2764 AromaticContact CE2-CD2 3.56Å; Y2760-H2764 AromaticContact CE2-CE1 3.39Å; Y2760-H2764 WeakPolarHBondContact CE2-CE1 3.44Å; Y2760-H2764 AromaticContact CE2-CG 3.72Å; Y2760-H2764 AromaticContact CE2-ND1 3.59Å; Y2760-H2764 AromaticContact CE2-NE2 3.39Å; Y2760-H2764 WeakPolarHBondContact CE2-NE2 3.29Å; Y2760-H2764 AromaticContact CZ-CD2 3.88Å; Y2760-H2764 AromaticContact CZ-CG 3.99Å; Y2760-H2764 WeakPolarHBondContact O-CB 3.4Å; Y2760-H2764 PolarHBondContact O-N 2.89Å; Y2760-H2764 PolarHBondContact O-ND1 3.48Å; Y2760-H2764 VanDerWaalsContact O-ND1 3.17Å; Y2760-W2768 AromaticContact CE1-CZ3 3.84Å; Y2760-W2768 HydrophobicContact CE1-CZ3 3.84Å; Y2760-F2775 HydrophobicContact CE1-CZ 4.22Å; Y2760-F2775 WeakPolarHBondContact OH-CE2 3.47Å; Y2760-F2775 WeakPolarHBondContact OH-CZ 3.43Å; Y2760-Y2783 AromaticContact CD1-CE2 3.71Å; Y2760-Y2783 HydrophobicContact CD1-CE2 3.71Å; Y2760-Y2783 AromaticContact CD1-CZ 3.72Å; Y2760-Y2783 WeakPolarHBondContact CD1-OH 3.48Å; Y2760-Y2783 HydrophobicContact CE1-CE2 4.11Å; Y2760-Y2783 AromaticContact CE1-CZ 3.9Å |
| 2761 | S | 88.5 | Confident | 88.6 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 30% | 0.301 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.8 | -47.8 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | L2757 S2758 T2763 H2764 Q2765 Y2783 | L2757-S2761 WeakPolarHBondContact O-CB 3.37Å; L2757-S2761 PolarHBondContact O-N 3.32Å; S2758-S2761 WeakPolarHBondContact O-CB 3.45Å; S2758-S2761 PolarHBondContact O-N 3.09Å; S2761-T2763 VanDerWaalsContact C-N 3.35Å; S2761-T2763 PolarHBondContact O-N 3.02Å; S2761-H2764 PolarHBondContact O-N 3.22Å; S2761-Q2765 PolarHBondContact O-N 3.26Å; S2761-Q2765 VanDerWaalsContact O-N 3.09Å; S2761-Y2783 WeakPolarHBondContact CA-OH 3.32Å; S2761-Y2783 VanDerWaalsContact CB-OH 3.32Å; S2761-Y2783 WeakPolarHBondContact CB-OH 3.25Å |
| 2762 | R | 86.6 | Confident | 88.4 | Confident | 182 Ų | 182 | 55.8 Ų | 55.8 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.2 | -37.9 | 178.8 | -173.7 | 175.9 | 63.2 | 174.2 | -2.1 | 113.2 | S2758 S2759 Y2760 | S2758-R2762 PolarHBondContact O-N 3.41Å; S2759-R2762 PolarHBondContact O-N 3.39Å; Y2760-R2762 VanDerWaalsContact C-N 3.32Å; Y2760-R2762 PolarHBondContact O-N 3.49Å |
| 2763 | T | 86.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -82.3 | -20.2 | -176.5 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | P2725 S2759 Y2760 S2761 | P2725-T2763 VanDerWaalsContact O-CB 3.28Å; P2725-T2763 WeakPolarHBondContact O-CB 3.46Å; S2759-T2763 WeakPolarHBondContact O-CG2 3.47Å; S2759-T2763 PolarHBondContact O-N 3.42Å; S2759-T2763 VanDerWaalsContact O-N 3.08Å; S2759-T2763 PolarHBondContact O-OG1 3.27Å; Y2760-T2763 WeakPolarHBondContact CA-OG1 3.5Å; Y2760-T2763 PolarHBondContact O-N 2.97Å; Y2760-T2763 VanDerWaalsContact O-N 3.14Å; Y2760-T2763 PolarHBondContact O-OG1 3.4Å; S2761-T2763 VanDerWaalsContact C-N 3.35Å; S2761-T2763 PolarHBondContact O-N 3.02Å |
| 2764 | H | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -107.2 | 5.7 | 179.9 | -66.8 | 62 | 0 | 0 | 0 | 113.2 | N2724 P2725 K2727 T2728 Y2760 S2761 E2766 V2767 W2768 | N2724-H2764 PolarHBondContact O-CE1 3.49Å; N2724-H2764 PolarHBondContact O-NE2 2.91Å; P2725-H2764 PolarHBondContact O-CE1 3.34Å; P2725-H2764 PolarHBondContact O-ND1 2.95Å; K2727-H2764 PolarHBondContact N-NE2 3.41Å; K2727-H2764 PolarHBondContact O-NE2 3.49Å; T2728-H2764 PolarHBondContact OG1-CD2 2.96Å; Y2760-H2764 AromaticContact CD2-CE1 3.47Å; Y2760-H2764 VanDerWaalsContact CD2-CE1 3.47Å; Y2760-H2764 WeakPolarHBondContact CD2-CE1 3.25Å; Y2760-H2764 AromaticContact CD2-ND1 3.52Å; Y2760-H2764 AromaticContact CD2-NE2 3.98Å; Y2760-H2764 AromaticContact CE2-CD2 3.56Å; Y2760-H2764 AromaticContact CE2-CE1 3.39Å; Y2760-H2764 WeakPolarHBondContact CE2-CE1 3.44Å; Y2760-H2764 AromaticContact CE2-CG 3.72Å; Y2760-H2764 AromaticContact CE2-ND1 3.59Å; Y2760-H2764 AromaticContact CE2-NE2 3.39Å; Y2760-H2764 WeakPolarHBondContact CE2-NE2 3.29Å; Y2760-H2764 AromaticContact CZ-CD2 3.88Å; Y2760-H2764 AromaticContact CZ-CG 3.99Å; Y2760-H2764 WeakPolarHBondContact O-CB 3.4Å; Y2760-H2764 PolarHBondContact O-N 2.89Å; Y2760-H2764 PolarHBondContact O-ND1 3.48Å; Y2760-H2764 VanDerWaalsContact O-ND1 3.17Å; S2761-H2764 PolarHBondContact O-N 3.22Å; H2764-E2766 PolarHBondContact O-N 3.41Å; H2764-V2767 HydrophobicContact CB-CG2 4.45Å; H2764-V2767 CarbonylContact O-C 3.59Å; H2764-V2767 PolarHBondContact O-N 3.19Å; H2764-W2768 HydrophobicContact CB-CE3 4.44Å; H2764-W2768 WeakPolarHBondContact O-CA 3.48Å; H2764-W2768 WeakPolarHBondContact O-CB 3.46Å; H2764-W2768 PolarHBondContact O-N 3.31Å |
| 2765 | Q | 86.3 | Confident | 88.2 | Confident | 145 Ų | 145 | 66.2 Ų | 66.2 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -55.7 | -45.8 | -173.3 | -173.4 | 176.6 | 0.3 | 0 | 0 | 113.3 | S2761 W2768 | S2761-Q2765 PolarHBondContact O-N 3.26Å; S2761-Q2765 VanDerWaalsContact O-N 3.09Å; Q2765-W2768 WeakPolarHBondContact O-CB 3.32Å |
| 2766 | E | 86.2 | Confident | 88.3 | Confident | 184 Ų | 184 | 66.9 Ų | 66.9 | 86% | 0.86 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -33.4 | -177.1 | -63 | -176.6 | 171.5 | 0 | 0 | 112.8 | H2764 | H2764-E2766 PolarHBondContact O-N 3.41Š|
| 2767 | V | 86 | Confident | 88.1 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 29% | 0.285 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 11.5 | -178.3 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | H2764 H2769 E2770 Q2771 | H2764-V2767 HydrophobicContact CB-CG2 4.45Å; H2764-V2767 CarbonylContact O-C 3.59Å; H2764-V2767 PolarHBondContact O-N 3.19Å; V2767-H2769 VanDerWaalsContact C-N 3.26Å; V2767-H2769 PolarHBondContact O-N 3.23Å; V2767-E2770 PolarHBondContact O-N 3.3Å; V2767-Q2771 HydrophobicContact CB-CG 4.19Å; V2767-Q2771 HydrophobicContact CG2-CG 3.73Å; V2767-Q2771 WeakPolarHBondContact O-CG 3.34Å; V2767-Q2771 PolarHBondContact O-N 3.41Å |
| 2768 | W | 86.8 | Confident | 88 | Confident | 65 Ų | 65 | 79 Ų | 79 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.1 | -35.7 | -169.7 | -178.2 | -115.7 | 0 | 0 | 0 | 113.4 | Y2760 H2764 Q2765 E2770 Q2771 S2772 F2775 L2780 Y2783 | Y2760-W2768 AromaticContact CE1-CZ3 3.84Å; Y2760-W2768 HydrophobicContact CE1-CZ3 3.84Å; H2764-W2768 HydrophobicContact CB-CE3 4.44Å; H2764-W2768 WeakPolarHBondContact O-CA 3.48Å; H2764-W2768 WeakPolarHBondContact O-CB 3.46Å; H2764-W2768 PolarHBondContact O-N 3.31Å; Q2765-W2768 WeakPolarHBondContact O-CB 3.32Å; W2768-E2770 PolarHBondContact O-N 3.3Å; W2768-Q2771 HydrophobicContact CE3-CB 4.48Å; W2768-Q2771 PolarHBondContact O-N 3.39Å; W2768-S2772 WeakPolarHBondContact O-CB 3.43Å; W2768-S2772 PolarHBondContact O-N 3.22Å; W2768-S2772 PolarHBondContact O-OG 2.83Å; W2768-F2775 HydrophobicContact CH2-CE2 4.44Å; W2768-L2780 HydrophobicContact CH2-CD1 4.01Å; W2768-L2780 HydrophobicContact CZ2-CD1 3.7Å; W2768-Y2783 AromaticContact CH2-CD1 3.69Å; W2768-Y2783 HydrophobicContact CH2-CD1 3.69Å; W2768-Y2783 AromaticContact CH2-CE1 3.16Å; W2768-Y2783 HydrophobicContact CH2-CE1 3.16Å; W2768-Y2783 HydrophobicContact CZ2-CD1 4.06Å; W2768-Y2783 AromaticContact CZ2-CE1 3.6Å; W2768-Y2783 HydrophobicContact CZ2-CE1 3.6Å; W2768-Y2783 AromaticContact CZ3-CE1 3.91Å; W2768-Y2783 HydrophobicContact CZ3-CE1 3.91Å |
| 2769 | H | 85.5 | Confident | 88.1 | Confident | 125 Ų | 125 | 77.6 Ų | 77.6 | 58% | 0.579 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.6 | -31.5 | 176.3 | 65.1 | -77.8 | 0 | 0 | 0 | 112.9 | V2767 S2772 | V2767-H2769 VanDerWaalsContact C-N 3.26Å; V2767-H2769 PolarHBondContact O-N 3.23Å; H2769-S2772 PolarHBondContact O-OG 3.08Å |
| 2770 | E | 87 | Confident | 88.1 | Confident | 109 Ų | 109 | 77.4 Ų | 77.4 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -85 | -42.3 | 174 | -56.8 | -175.7 | 164.5 | 0 | 0 | 111.9 | V2767 W2768 L2773 | V2767-E2770 PolarHBondContact O-N 3.3Å; W2768-E2770 PolarHBondContact O-N 3.3Å; E2770-L2773 PolarHBondContact O-N 3.35Å |
| 2771 | Q | 86.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 81.4 Ų | 81.4 | 5% | 0.051 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -73.9 | -30.9 | -173 | -56 | -60.2 | -25.8 | 0 | 0 | 112.1 | T2728 V2767 W2768 L2773 K2774 F2775 | T2728-Q2771 PolarHBondContact OG1-OE1 3.26Å; T2728-Q2771 VanDerWaalsContact OG1-OE1 3.12Å; V2767-Q2771 HydrophobicContact CB-CG 4.19Å; V2767-Q2771 HydrophobicContact CG2-CG 3.73Å; V2767-Q2771 WeakPolarHBondContact O-CG 3.34Å; V2767-Q2771 PolarHBondContact O-N 3.41Å; W2768-Q2771 HydrophobicContact CE3-CB 4.48Å; W2768-Q2771 PolarHBondContact O-N 3.39Å; Q2771-L2773 VanDerWaalsContact C-N 3.27Å; Q2771-L2773 PolarHBondContact O-N 3.5Å; Q2771-K2774 WeakPolarHBondContact O-CB 3.26Å; Q2771-K2774 PolarHBondContact O-N 3.05Å; Q2771-F2775 WeakPolarHBondContact O-CD2 3.42Å |
| 2772 | S | 85.8 | Confident | 87.8 | Confident | 22 Ų | 22 | 81.8 Ų | 81.8 | 15% | 0.154 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -64.6 | -28.2 | 175.7 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | W2768 H2769 K2774 F2775 | W2768-S2772 WeakPolarHBondContact O-CB 3.43Å; W2768-S2772 PolarHBondContact O-N 3.22Å; W2768-S2772 PolarHBondContact O-OG 2.83Å; H2769-S2772 PolarHBondContact O-OG 3.08Å; S2772-K2774 PolarHBondContact O-N 2.85Å; S2772-F2775 PolarHBondContact O-N 3.27Å; S2772-F2775 VanDerWaalsContact O-N 3.15Å |
| 2773 | L | 88.5 | Confident | 87.7 | Confident | 146 Ų | 146 | 73.3 Ų | 73.3 | 76% | 0.764 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -66.7 | -15.9 | 176.5 | -64.6 | 173.5 | 0 | 0 | 0 | 113.4 | E2770 Q2771 F2775 | E2770-L2773 PolarHBondContact O-N 3.35Å; Q2771-L2773 VanDerWaalsContact C-N 3.27Å; Q2771-L2773 PolarHBondContact O-N 3.5Å; L2773-F2775 VanDerWaalsContact C-N 3.34Å |
| 2774 | K | 89.9 | Confident | 87.6 | Confident | 88 Ų | 88 | 76.8 Ų | 76.8 | 38% | 0.383 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -83.6 | -11.6 | 176.9 | -63.3 | 179.8 | 179.4 | 165.7 | 0 | 113.3 | T2728 P2733 Q2771 S2772 | T2728-K2774 HydrophobicContact CG2-CD 4.33Å; T2728-K2774 WeakPolarHBondContact O-CD 3.48Å; T2728-K2774 WeakPolarHBondContact O-CE 3.34Å; T2728-K2774 PolarHBondContact O-NZ 2.82Å; P2733-K2774 HydrophobicContact CG-CB 4.28Å; P2733-K2774 WeakPolarHBondContact CG-O 3.31Å; Q2771-K2774 WeakPolarHBondContact O-CB 3.26Å; Q2771-K2774 PolarHBondContact O-N 3.05Å; S2772-K2774 PolarHBondContact O-N 2.85Å |
| 2775 | F | 91.3 | Very high | 87.1 | Confident | 16 Ų | 16 | 81.5 Ų | 81.5 | 7% | 0.07 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -88.8 | 142.8 | 176.5 | -69.7 | -108.1 | 0 | 0 | 0 | 109.6 | T2728 P2733 I2736 Y2760 W2768 Q2771 S2772 L2773 Q2779 L2780 | T2728-F2775 HydrophobicContact CG2-CE2 3.93Å; T2728-F2775 HydrophobicContact CG2-CZ 4.33Å; P2733-F2775 HydrophobicContact CB-CD1 3.68Å; P2733-F2775 HydrophobicContact CB-CD2 4.29Å; P2733-F2775 HydrophobicContact CB-CE1 3.8Å; P2733-F2775 HydrophobicContact CB-CE2 4.41Å; P2733-F2775 HydrophobicContact CB-CG 3.92Å; P2733-F2775 HydrophobicContact CB-CZ 4.17Å; P2733-F2775 HydrophobicContact CG-CD1 4.35Å; P2733-F2775 HydrophobicContact CG-CD2 4.11Å; P2733-F2775 HydrophobicContact CG-CE1 4.31Å; P2733-F2775 HydrophobicContact CG-CE2 4.07Å; P2733-F2775 HydrophobicContact CG-CG 4.24Å; P2733-F2775 HydrophobicContact CG-CZ 4.17Å; I2736-F2775 HydrophobicContact CB-CE1 4.22Å; I2736-F2775 HydrophobicContact CD1-CE1 4.14Å; I2736-F2775 HydrophobicContact CD1-CZ 3.77Å; I2736-F2775 HydrophobicContact CG2-CE1 4.03Å; Y2760-F2775 HydrophobicContact CE1-CZ 4.22Å; Y2760-F2775 WeakPolarHBondContact OH-CE2 3.47Å; Y2760-F2775 WeakPolarHBondContact OH-CZ 3.43Å; W2768-F2775 HydrophobicContact CH2-CE2 4.44Å; Q2771-F2775 WeakPolarHBondContact O-CD2 3.42Å; S2772-F2775 PolarHBondContact O-N 3.27Å; S2772-F2775 VanDerWaalsContact O-N 3.15Å; L2773-F2775 VanDerWaalsContact C-N 3.34Å; F2775-Q2779 HydrophobicContact CB-CB 4.36Å; F2775-Q2779 HydrophobicContact CD1-CB 3.97Å; F2775-L2780 HydrophobicContact CB-CB 3.94Å; F2775-L2780 HydrophobicContact CB-CD1 4.15Å; F2775-L2780 HydrophobicContact CG-CD1 4.21Å |
| 2776 | T | 92.2 | Very high | 86.7 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | trans | -70.3 | 158.5 | 161.5 | 67.9 | 0 | 0 | 0 | 0 | 109.6 | E2778 Q2779 L2780 | T2776-E2778 VanDerWaalsContact C-N 3.28Å; T2776-E2778 PolarHBondContact O-N 3.34Å; T2776-Q2779 VanDerWaalsContact N-OE1 3.15Å; T2776-Q2779 PolarHBondContact O-N 3.3Å; T2776-Q2779 VanDerWaalsContact O-N 3.16Å; T2776-Q2779 VanDerWaalsContact OG1-CD 3.31Å; T2776-Q2779 WeakPolarHBondContact OG1-CG 3.15Å; T2776-Q2779 PolarHBondContact OG1-N 2.95Å; T2776-Q2779 PolarHBondContact OG1-OE1 3.37Å; T2776-L2780 WeakPolarHBondContact O-CB 3.35Å; T2776-L2780 PolarHBondContact O-N 3.25Å | ||
| 2777 | P | 88.1 | Confident | 86 | Confident | 102 Ų | 102 | 68.1 Ų | 68.1 | 66% | 0.662 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -51.9 | -45.6 | 177.9 | -28.5 | 35.8 | 0 | 0 | 0 | 113.1 | L2780 D2781 | P2777-L2780 PolarHBondContact O-N 3Å; P2777-D2781 VanDerWaalsContact O-CG 3.32Å; P2777-D2781 PolarHBondContact O-N 2.77Å |
| 2778 | E | 89.1 | Confident | 85 | Confident | 154 Ų | 154 | 68.9 Ų | 68.9 | 72% | 0.72 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.5 | -46.9 | 177.4 | -64.6 | 175 | 178 | 0 | 0 | 112.5 | T2776 L2780 D2781 N2782 | T2776-E2778 VanDerWaalsContact C-N 3.28Å; T2776-E2778 PolarHBondContact O-N 3.34Å; E2778-L2780 VanDerWaalsContact C-N 3.3Å; E2778-L2780 PolarHBondContact O-N 3.13Å; E2778-D2781 PolarHBondContact O-N 3.35Å; E2778-N2782 PolarHBondContact O-N 2.89Å; E2778-N2782 PolarHBondContact O-OD1 3.46Å |
| 2779 | Q | 91.5 | Very high | 83.5 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 178.9 | -67.7 | 170.1 | -13.6 | 0 | 0 | 111.9 | P2733 F2775 T2776 Y2783 | P2733-Q2779 VanDerWaalsContact CB-OE1 3.26Å; F2775-Q2779 HydrophobicContact CB-CB 4.36Å; F2775-Q2779 HydrophobicContact CD1-CB 3.97Å; T2776-Q2779 VanDerWaalsContact N-OE1 3.15Å; T2776-Q2779 PolarHBondContact O-N 3.3Å; T2776-Q2779 VanDerWaalsContact O-N 3.16Å; T2776-Q2779 VanDerWaalsContact OG1-CD 3.31Å; T2776-Q2779 WeakPolarHBondContact OG1-CG 3.15Å; T2776-Q2779 PolarHBondContact OG1-N 2.95Å; T2776-Q2779 PolarHBondContact OG1-OE1 3.37Å; Q2779-Y2783 WeakPolarHBondContact O-CB 3.46Å; Q2779-Y2783 PolarHBondContact O-N 3.42Å; Q2779-Y2783 VanDerWaalsContact O-N 3.09Å |
| 2780 | L | 86.9 | Confident | 82.1 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 12% | 0.115 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 178.7 | -169.4 | 66.3 | 0 | 0 | 0 | 111.3 | W2768 F2775 T2776 P2777 E2778 Y2783 R2784 | W2768-L2780 HydrophobicContact CH2-CD1 4.01Å; W2768-L2780 HydrophobicContact CZ2-CD1 3.7Å; F2775-L2780 HydrophobicContact CB-CB 3.94Å; F2775-L2780 HydrophobicContact CB-CD1 4.15Å; F2775-L2780 HydrophobicContact CG-CD1 4.21Å; T2776-L2780 WeakPolarHBondContact O-CB 3.35Å; T2776-L2780 PolarHBondContact O-N 3.25Å; P2777-L2780 PolarHBondContact O-N 3Å; E2778-L2780 VanDerWaalsContact C-N 3.3Å; E2778-L2780 PolarHBondContact O-N 3.13Å; L2780-Y2783 PolarHBondContact O-N 2.98Å; L2780-R2784 WeakPolarHBondContact O-CB 3.31Å; L2780-R2784 VanDerWaalsContact O-CG 3.27Å; L2780-R2784 WeakPolarHBondContact O-CG 3.38Å; L2780-R2784 PolarHBondContact O-N 3.47Å |
| 2781 | D | 86.9 | Confident | 80.4 | Confident | 88 Ų | 88 | 61.9 Ų | 61.9 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 177.1 | -71.6 | -19.4 | 0 | 0 | 0 | 111.5 | P2777 E2778 Y2783 R2784 F2785 | P2777-D2781 VanDerWaalsContact O-CG 3.32Å; P2777-D2781 PolarHBondContact O-N 2.77Å; E2778-D2781 PolarHBondContact O-N 3.35Å; D2781-Y2783 VanDerWaalsContact C-N 3.32Å; D2781-Y2783 PolarHBondContact O-N 2.78Å; D2781-R2784 PolarHBondContact O-N 3Å; D2781-R2784 IonicContact OD1-NH1 3.8Å; D2781-F2785 PolarHBondContact O-N 2.84Å |
| 2782 | N | 85.5 | Confident | 78.4 | Confident | 52 Ų | 52 | 70.2 Ų | 70.2 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 173.4 | -73 | 12.5 | 0 | 0 | 0 | 111.4 | S2737 A2740 D2741 E2778 F2785 V2786 | S2737-N2782 PolarHBondContact OG-ND2 2.83Å; A2740-N2782 HydrophobicContact CB-CB 4.05Å; D2741-N2782 PolarHBondContact OD1-ND2 3.1Å; E2778-N2782 PolarHBondContact O-N 2.89Å; E2778-N2782 PolarHBondContact O-OD1 3.46Å; N2782-F2785 WeakPolarHBondContact O-CB 3.3Å; N2782-F2785 PolarHBondContact O-N 3.29Å; N2782-V2786 VanDerWaalsContact O-CG2 3.3Å; N2782-V2786 WeakPolarHBondContact O-CG2 3.44Å; N2782-V2786 PolarHBondContact O-N 3.37Å |
| 2783 | Y | 86.3 | Confident | 76.1 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 1% | 0.012 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176 | 171.5 | -111 | 0 | 0 | 0 | 112.8 | I2736 L2757 Y2760 S2761 W2768 Q2779 L2780 D2781 F2785 V2786 I2787 | I2736-Y2783 HydrophobicContact CG2-CD2 3.62Å; I2736-Y2783 HydrophobicContact CG2-CE2 4.45Å; I2736-Y2783 HydrophobicContact CG2-CG 4.18Å; L2757-Y2783 HydrophobicContact CB-CE2 4.25Å; L2757-Y2783 HydrophobicContact CD1-CD2 4.38Å; L2757-Y2783 HydrophobicContact CD2-CD2 4.34Å; L2757-Y2783 HydrophobicContact CD2-CE2 4.34Å; Y2760-Y2783 AromaticContact CD1-CE2 3.71Å; Y2760-Y2783 HydrophobicContact CD1-CE2 3.71Å; Y2760-Y2783 AromaticContact CD1-CZ 3.72Å; Y2760-Y2783 WeakPolarHBondContact CD1-OH 3.48Å; Y2760-Y2783 HydrophobicContact CE1-CE2 4.11Å; Y2760-Y2783 AromaticContact CE1-CZ 3.9Å; S2761-Y2783 WeakPolarHBondContact CA-OH 3.32Å; S2761-Y2783 VanDerWaalsContact CB-OH 3.32Å; S2761-Y2783 WeakPolarHBondContact CB-OH 3.25Å; W2768-Y2783 AromaticContact CH2-CD1 3.69Å; W2768-Y2783 HydrophobicContact CH2-CD1 3.69Å; W2768-Y2783 AromaticContact CH2-CE1 3.16Å; W2768-Y2783 HydrophobicContact CH2-CE1 3.16Å; W2768-Y2783 HydrophobicContact CZ2-CD1 4.06Å; W2768-Y2783 AromaticContact CZ2-CE1 3.6Å; W2768-Y2783 HydrophobicContact CZ2-CE1 3.6Å; W2768-Y2783 AromaticContact CZ3-CE1 3.91Å; W2768-Y2783 HydrophobicContact CZ3-CE1 3.91Å; Q2779-Y2783 WeakPolarHBondContact O-CB 3.46Å; Q2779-Y2783 PolarHBondContact O-N 3.42Å; Q2779-Y2783 VanDerWaalsContact O-N 3.09Å; L2780-Y2783 PolarHBondContact O-N 2.98Å; D2781-Y2783 VanDerWaalsContact C-N 3.32Å; D2781-Y2783 PolarHBondContact O-N 2.78Å; Y2783-F2785 VanDerWaalsContact C-N 3.34Å; Y2783-F2785 PolarHBondContact O-N 3.25Å; Y2783-V2786 PolarHBondContact O-N 3.41Å; Y2783-I2787 HydrophobicContact CD1-CD1 3.77Å; Y2783-I2787 HydrophobicContact CD2-CD1 4.2Å; Y2783-I2787 HydrophobicContact CE1-CD1 3.15Å; Y2783-I2787 HydrophobicContact CE1-CG1 4.37Å; Y2783-I2787 HydrophobicContact CE2-CD1 3.63Å; Y2783-I2787 HydrophobicContact CE2-CG1 4.1Å; Y2783-I2787 HydrophobicContact CG-CD1 4.28Å; Y2783-I2787 PolarHBondContact O-N 3.3Å; Y2783-I2787 VanDerWaalsContact OH-CD1 3.27Å; Y2783-I2787 WeakPolarHBondContact OH-CD1 3.42Å |
| 2784 | R | 83.3 | Confident | 73.7 | Confident | 131 Ų | 131 | 79.8 Ų | 79.8 | 49% | 0.494 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 178.4 | -78.5 | 172.2 | 174.1 | 166.6 | -1.8 | 112.1 | L2780 D2781 V2786 I2787 S2788 | L2780-R2784 WeakPolarHBondContact O-CB 3.31Å; L2780-R2784 VanDerWaalsContact O-CG 3.27Å; L2780-R2784 WeakPolarHBondContact O-CG 3.38Å; L2780-R2784 PolarHBondContact O-N 3.47Å; D2781-R2784 PolarHBondContact O-N 3Å; D2781-R2784 IonicContact OD1-NH1 3.8Å; R2784-V2786 VanDerWaalsContact C-N 3.28Å; R2784-V2786 PolarHBondContact O-N 3.46Å; R2784-I2787 PolarHBondContact O-N 3.39Å; R2784-S2788 VanDerWaalsContact O-CB 3.32Å; R2784-S2788 WeakPolarHBondContact O-CB 3.4Å; R2784-S2788 PolarHBondContact O-N 3.15Å; R2784-S2788 PolarHBondContact O-OG 2.65Å |
| 2785 | F | 80.7 | Confident | 72.9 | Confident | 99 Ų | 99 | 79.4 Ų | 79.4 | 43% | 0.434 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.7 | -47.5 | 174.2 | -177.4 | -101 | 0 | 0 | 0 | 110.4 | L2743 D2781 N2782 Y2783 I2787 S2788 E2789 | L2743-F2785 HydrophobicContact CD1-CD1 4.26Å; L2743-F2785 HydrophobicContact CD1-CE1 4.41Å; D2781-F2785 PolarHBondContact O-N 2.84Å; N2782-F2785 WeakPolarHBondContact O-CB 3.3Å; N2782-F2785 PolarHBondContact O-N 3.29Å; Y2783-F2785 VanDerWaalsContact C-N 3.34Å; Y2783-F2785 PolarHBondContact O-N 3.25Å; F2785-I2787 PolarHBondContact O-N 3.45Å; F2785-S2788 PolarHBondContact O-N 3.4Å; F2785-S2788 PolarHBondContact O-OG 3.13Å; F2785-E2789 HydrophobicContact CE1-CG 4.29Å; F2785-E2789 HydrophobicContact CZ-CG 4.25Å; F2785-E2789 VanDerWaalsContact CZ-OE1 3.29Å; F2785-E2789 WeakPolarHBondContact CZ-OE1 3.29Å; F2785-E2789 PolarHBondContact O-N 3.35Å |
| 2786 | V | 77.3 | Confident | 71.9 | Confident | 1 Ų | 1 | 82.7 Ų | 82.7 | 1% | 0.006 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63 | -45 | 178.2 | -170.2 | 0 | 0 | 0 | 0 | 113 | A2740 L2743 L2757 N2782 Y2783 R2784 S2788 E2789 A2790 | A2740-V2786 HydrophobicContact CB-CG2 3.37Å; L2743-V2786 HydrophobicContact CD1-CB 3.88Å; L2743-V2786 HydrophobicContact CD1-CG1 3.79Å; L2743-V2786 HydrophobicContact CD1-CG2 3.42Å; L2743-V2786 VanDerWaalsContact CD1-CG2 3.42Å; L2743-V2786 HydrophobicContact CD2-CG1 3.9Å; L2743-V2786 HydrophobicContact CG-CG1 4.33Å; L2743-V2786 HydrophobicContact CG-CG2 4.21Å; L2757-V2786 HydrophobicContact CD1-CB 3.91Å; L2757-V2786 HydrophobicContact CD1-CG1 3.79Å; L2757-V2786 HydrophobicContact CD1-CG2 3.81Å; N2782-V2786 VanDerWaalsContact O-CG2 3.3Å; N2782-V2786 WeakPolarHBondContact O-CG2 3.44Å; N2782-V2786 PolarHBondContact O-N 3.37Å; Y2783-V2786 PolarHBondContact O-N 3.41Å; R2784-V2786 VanDerWaalsContact C-N 3.28Å; R2784-V2786 PolarHBondContact O-N 3.46Å; V2786-S2788 VanDerWaalsContact C-N 3.34Å; V2786-E2789 PolarHBondContact O-N 3.14Å; V2786-A2790 VanDerWaalsContact O-CB 3.25Å; V2786-A2790 WeakPolarHBondContact O-CB 3.29Å; V2786-A2790 PolarHBondContact O-N 3.09Å |
| 2787 | I | 71.1 | Confident | 70.8 | Confident | 47 Ų | 47 | 83.7 Ų | 83.7 | 24% | 0.241 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | -179.9 | -64 | 163.1 | 0 | 0 | 0 | 110.8 | Y2783 R2784 F2785 A2790 S2791 | Y2783-I2787 HydrophobicContact CD1-CD1 3.77Å; Y2783-I2787 HydrophobicContact CD2-CD1 4.2Å; Y2783-I2787 HydrophobicContact CE1-CD1 3.15Å; Y2783-I2787 HydrophobicContact CE1-CG1 4.37Å; Y2783-I2787 HydrophobicContact CE2-CD1 3.63Å; Y2783-I2787 HydrophobicContact CE2-CG1 4.1Å; Y2783-I2787 HydrophobicContact CG-CD1 4.28Å; Y2783-I2787 PolarHBondContact O-N 3.3Å; Y2783-I2787 VanDerWaalsContact OH-CD1 3.27Å; Y2783-I2787 WeakPolarHBondContact OH-CD1 3.42Å; R2784-I2787 PolarHBondContact O-N 3.39Å; F2785-I2787 PolarHBondContact O-N 3.45Å; I2787-A2790 CarbonylContact O-C 2.98Å; I2787-A2790 PolarHBondContact O-N 3.26Å; I2787-S2791 VanDerWaalsContact O-CB 3.29Å; I2787-S2791 WeakPolarHBondContact O-CB 3.26Å; I2787-S2791 PolarHBondContact O-N 3.29Å; I2787-S2791 PolarHBondContact O-OG 3.47Å; I2787-S2791 VanDerWaalsContact O-OG 3.09Å |
| 2788 | S | 65.6 | Low | 69.7 | Low | 63 Ų | 63 | 82.6 Ų | 82.6 | 44% | 0.441 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 178.2 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | R2784 F2785 V2786 A2790 S2791 Y2792 | R2784-S2788 VanDerWaalsContact O-CB 3.32Å; R2784-S2788 WeakPolarHBondContact O-CB 3.4Å; R2784-S2788 PolarHBondContact O-N 3.15Å; R2784-S2788 PolarHBondContact O-OG 2.65Å; F2785-S2788 PolarHBondContact O-N 3.4Å; F2785-S2788 PolarHBondContact O-OG 3.13Å; V2786-S2788 VanDerWaalsContact C-N 3.34Å; S2788-A2790 PolarHBondContact O-N 2.82Å; S2788-S2791 WeakPolarHBondContact CA-OG 3.49Å; S2788-S2791 PolarHBondContact O-N 3.3Å; S2788-S2791 PolarHBondContact O-OG 2.99Å; S2788-Y2792 PolarHBondContact O-N 3.42Å; S2788-Y2792 VanDerWaalsContact O-N 3.13Å |
| 2789 | E | 55.7 | Low | 68.5 | Low | 53 Ų | 53 | 78.2 Ų | 78.2 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 171.2 | -79.1 | -156.7 | 170.8 | 0 | 0 | 112.2 | K2750 F2785 V2786 S2791 Y2792 | K2750-E2789 IonicContact NZ-OE2 3.64Å; K2750-E2789 PolarHBondContact NZ-OE2 3.01Å; F2785-E2789 HydrophobicContact CE1-CG 4.29Å; F2785-E2789 HydrophobicContact CZ-CG 4.25Å; F2785-E2789 VanDerWaalsContact CZ-OE1 3.29Å; F2785-E2789 WeakPolarHBondContact CZ-OE1 3.29Å; F2785-E2789 PolarHBondContact O-N 3.35Å; V2786-E2789 PolarHBondContact O-N 3.14Å; E2789-S2791 VanDerWaalsContact C-N 3.34Å; E2789-S2791 PolarHBondContact O-N 3.14Å; E2789-Y2792 PolarHBondContact O-N 3.25Å |
| 2790 | A | 54.4 | Low | 67 | Low | 23 Ų | 23 | 80.9 Ų | 80.9 | 19% | 0.19 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | V2786 I2787 S2788 Y2792 Y2793 V2794 | V2786-A2790 VanDerWaalsContact O-CB 3.25Å; V2786-A2790 WeakPolarHBondContact O-CB 3.29Å; V2786-A2790 PolarHBondContact O-N 3.09Å; I2787-A2790 CarbonylContact O-C 2.98Å; I2787-A2790 PolarHBondContact O-N 3.26Å; S2788-A2790 PolarHBondContact O-N 2.82Å; A2790-Y2792 VanDerWaalsContact C-N 3.3Å; A2790-Y2792 PolarHBondContact O-N 3.25Å; A2790-Y2793 PolarHBondContact O-N 2.95Å; A2790-V2794 WeakPolarHBondContact O-CG2 3.15Å; A2790-V2794 PolarHBondContact O-N 3.46Å |
| 2791 | S | 51.4 | Low | 65.6 | Low | 75 Ų | 75 | 85.1 Ų | 85.1 | 52% | 0.524 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73.2 | -19.7 | 177.5 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | I2787 S2788 E2789 | I2787-S2791 VanDerWaalsContact O-CB 3.29Å; I2787-S2791 WeakPolarHBondContact O-CB 3.26Å; I2787-S2791 PolarHBondContact O-N 3.29Å; I2787-S2791 PolarHBondContact O-OG 3.47Å; I2787-S2791 VanDerWaalsContact O-OG 3.09Å; S2788-S2791 WeakPolarHBondContact CA-OG 3.49Å; S2788-S2791 PolarHBondContact O-N 3.3Å; S2788-S2791 PolarHBondContact O-OG 2.99Å; E2789-S2791 VanDerWaalsContact C-N 3.34Å; E2789-S2791 PolarHBondContact O-N 3.14Å |
| 2792 | Y | 44.4 | Very low | 63.9 | Low | 187 Ų | 187 | 84.8 Ų | 84.8 | 73% | 0.733 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -76.5 | -25 | 175.1 | -173.6 | -97.7 | 0 | 0 | 0 | 112.7 | S2788 E2789 A2790 | S2788-Y2792 PolarHBondContact O-N 3.42Å; S2788-Y2792 VanDerWaalsContact O-N 3.13Å; E2789-Y2792 PolarHBondContact O-N 3.25Å; A2790-Y2792 VanDerWaalsContact C-N 3.3Å; A2790-Y2792 PolarHBondContact O-N 3.25Å |
| 2793 | Y | 38.7 | Very low | 62.1 | Low | 193 Ų | 193 | 87.6 Ų | 87.6 | 76% | 0.757 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -104 | -11.3 | -178.8 | -78.2 | -76.2 | 0 | 0 | 0 | 115.1 | A2790 | A2790-Y2793 PolarHBondContact O-N 2.95Å |
| 2794 | V | 37 | Very low | 60 | Low | 176 Ų | 176 | 95.3 Ų | 95.3 | 100% | 1.067 | 47% | 0.467 | S | S | * | . | trans | -89.6 | 0 | 169.6 | 174.4 | 0 | 0 | 0 | 0 | 108.7 | A2790 | A2790-V2794 WeakPolarHBondContact O-CG2 3.15Å; A2790-V2794 PolarHBondContact O-N 3.46Å |
Retrieved 2,794 of 2,794 residues in 5226.3 ms
(Link to these results)