| 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 | 36.3 | Very low | 55.9 | Low | 186 Ų | 186 | 91.4 Ų | 91.4 | 92% | 0.916 | 53% | 0.534 | S | S | * | . | 0 | 122.1 | 0 | -76.2 | -170.1 | -161.7 | 0 | 0 | 107.8 | |||||
| 2 | G | 33.1 | Very low | 58 | Low | 77 Ų | 77 | 83.9 Ų | 83.9 | 79% | 0.794 | 49% | 0.491 | S | S | * | . | trans | -67.7 | 133.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | L4 | G2-L4 PolarHBondContact O-N 2.83Å; G2-L4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | I | 37 | Very low | 59.8 | Low | 164 Ų | 164 | 78.4 Ų | 78.4 | 84% | 0.841 | 46% | 0.458 | S | S | * | . | trans | -71.2 | 100.2 | 173.9 | -62.9 | 163.6 | 0 | 0 | 0 | 106.1 | S5 | I3-S5 PolarHBondContact O-N 3.22Š| ||
| 4 | L | 47.3 | Very low | 61.2 | Low | 79 Ų | 79 | 77.5 Ų | 77.5 | 41% | 0.414 | 45% | 0.448 | S | S | . | . | trans | -63.8 | 129.3 | 153.4 | -80.4 | 160.3 | 0 | 0 | 0 | 105.9 | G2 I6 | G2-L4 PolarHBondContact O-N 2.83Å; G2-L4 VanDerWaalsContact O-N 3.1Å; L4-I6 PolarHBondContact O-N 3.26Å | ||
| 5 | S | 53.9 | Low | 62.5 | Low | 52 Ų | 52 | 72.5 Ų | 72.5 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | trans | -52.6 | 127 | 176.4 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | I3 T7 D8 | I3-S5 PolarHBondContact O-N 3.22Å; S5-T7 WeakPolarHBondContact CB-OG1 3.25Å; S5-T7 PolarHBondContact O-N 2.86Å; S5-T7 PolarHBondContact OG-OG1 2.87Å; S5-D8 PolarHBondContact O-N 3.32Å | ||
| 6 | I | 60.3 | Low | 63.9 | Low | 97 Ų | 97 | 67.9 Ų | 67.9 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -53.3 | -26.7 | 178.1 | -72.4 | 167.1 | 0 | 0 | 0 | 110.6 | L4 D8 Q9 Q14 | L4-I6 PolarHBondContact O-N 3.26Å; I6-D8 PolarHBondContact O-N 3.37Å; I6-Q9 PolarHBondContact O-N 3.4Å; I6-Q14 HydrophobicContact CG2-CB 4.45Å; I6-Q14 HydrophobicContact CG2-CG 4.13Å; I6-Q14 VanDerWaalsContact O-CG 3.26Å; I6-Q14 WeakPolarHBondContact O-CG 3.46Å; I6-Q14 PolarHBondContact O-NE2 3.31Å; I6-Q14 VanDerWaalsContact O-NE2 3.14Å |
| 7 | T | 59.9 | Low | 65 | Low | 94 Ų | 94 | 69.1 Ų | 69.1 | 58% | 0.577 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -61.7 | -22.3 | 178.2 | 61.1 | 0 | 0 | 0 | 0 | 114.9 | S5 Q14 | S5-T7 WeakPolarHBondContact CB-OG1 3.25Å; S5-T7 PolarHBondContact O-N 2.86Å; S5-T7 PolarHBondContact OG-OG1 2.87Å; T7-Q14 VanDerWaalsContact C-NE2 3.29Å; T7-Q14 PolarHBondContact O-NE2 3.16Å |
| 8 | D | 62.6 | Low | 66 | Low | 119 Ų | 119 | 69.5 Ų | 69.5 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -96 | -0.4 | -175.6 | -57.6 | -16.6 | 0 | 0 | 0 | 112.1 | S5 I6 | S5-D8 PolarHBondContact O-N 3.32Å; I6-D8 PolarHBondContact O-N 3.37Å |
| 9 | Q | 70.5 | Confident | 66.9 | Low | 29 Ų | 29 | 73.8 Ų | 73.8 | 14% | 0.136 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -88.2 | 157.3 | 177.1 | -63 | -60.2 | -41.8 | 0 | 0 | 111.4 | I6 V13 Q14 | I6-Q9 PolarHBondContact O-N 3.4Å; Q9-V13 HydrophobicContact CB-CB 4.25Å; Q9-V13 HydrophobicContact CB-CG1 4.1Å; Q9-Q14 HydrophobicContact CB-CG 4.34Å; Q9-Q14 PolarHBondContact O-NE2 3.1Å |
| 10 | P | 76.7 | Confident | 67.8 | Low | 36 Ų | 36 | 73.6 Ų | 73.6 | 23% | 0.234 | 41% | 0.407 | C | S | . | . | trans | -53.4 | 145.3 | 176.3 | -25.5 | 33.7 | 0 | 0 | 0 | 112.5 | L12 V13 Q14 V36 | P10-L12 PolarHBondContact O-N 3.27Å; P10-L12 VanDerWaalsContact O-N 3.14Å; P10-V13 HydrophobicContact CB-CG2 4.24Å; P10-V13 HydrophobicContact CG-CG2 4.26Å; P10-V13 WeakPolarHBondContact O-CA 3.43Å; P10-V13 WeakPolarHBondContact O-CB 2.96Å; P10-V13 PolarHBondContact O-N 3.48Å; P10-Q14 PolarHBondContact O-N 2.74Å; P10-V36 HydrophobicContact CB-CG1 4.37Å; P10-V36 HydrophobicContact CG-CG1 4.3Å; P10-V36 HydrophobicContact CG-CG2 3.97Å | ||
| 11 | P | 77.7 | Confident | 68.6 | Low | 72 Ų | 72 | 71.9 Ų | 71.9 | 47% | 0.468 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -51.6 | -40.5 | -178.8 | -27.1 | 34 | 0 | 0 | 0 | 113.2 | V13 Q14 A15 L27 | P11-V13 VanDerWaalsContact C-N 3.33Å; P11-V13 PolarHBondContact O-N 3.49Å; P11-Q14 WeakPolarHBondContact O-CB 3.27Å; P11-Q14 PolarHBondContact O-N 3.48Å; P11-A15 WeakPolarHBondContact O-CB 3.41Å; P11-A15 PolarHBondContact O-N 3.25Å; P11-L27 HydrophobicContact CB-CD1 4.35Å |
| 12 | L | 81 | Confident | 70.9 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 174.3 | -173.7 | 60.3 | 0 | 0 | 0 | 113.4 | P10 I16 V24 L27 L28 P44 | P10-L12 PolarHBondContact O-N 3.27Å; P10-L12 VanDerWaalsContact O-N 3.14Å; L12-I16 HydrophobicContact CG-CD1 4.39Å; L12-I16 VanDerWaalsContact O-CD1 3.28Å; L12-I16 WeakPolarHBondContact O-CD1 3.42Å; L12-I16 WeakPolarHBondContact O-CG1 2.97Å; L12-I16 PolarHBondContact O-N 3.3Å; L12-V24 HydrophobicContact CD1-CG1 4.07Å; L12-V24 HydrophobicContact CD1-CG2 4.49Å; L12-L27 HydrophobicContact CD1-CB 4.25Å; L12-L27 HydrophobicContact CD1-CD1 4.46Å; L12-L28 HydrophobicContact CD1-CD2 4.45Å; L12-L28 HydrophobicContact CD1-CG 4.48Å; L12-L28 HydrophobicContact CD2-CD2 4.45Å; L12-P44 HydrophobicContact CD2-CB 4.18Å; L12-P44 HydrophobicContact CD2-CG 3.87Å; L12-P44 HydrophobicContact CG-CB 4.37Å; L12-P44 HydrophobicContact CG-CG 4.37Å |
| 13 | V | 80.8 | Confident | 73.2 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 7% | 0.073 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73.6 | -36.9 | 177.8 | 177 | 0 | 0 | 0 | 0 | 110.7 | Q9 P10 P11 I16 F17 P44 A47 | Q9-V13 HydrophobicContact CB-CB 4.25Å; Q9-V13 HydrophobicContact CB-CG1 4.1Å; P10-V13 HydrophobicContact CB-CG2 4.24Å; P10-V13 HydrophobicContact CG-CG2 4.26Å; P10-V13 WeakPolarHBondContact O-CA 3.43Å; P10-V13 WeakPolarHBondContact O-CB 2.96Å; P10-V13 PolarHBondContact O-N 3.48Å; P11-V13 VanDerWaalsContact C-N 3.33Å; P11-V13 PolarHBondContact O-N 3.49Å; V13-I16 PolarHBondContact O-N 3.22Å; V13-F17 HydrophobicContact CG1-CD2 3.76Å; V13-F17 HydrophobicContact CG1-CE2 3.59Å; V13-F17 VanDerWaalsContact O-CD2 3.25Å; V13-F17 WeakPolarHBondContact O-CD2 3.33Å; V13-F17 PolarHBondContact O-N 2.99Å; V13-F17 VanDerWaalsContact O-N 3.08Å; V13-P44 HydrophobicContact CG2-CB 4.41Å; V13-P44 HydrophobicContact CG2-CG 4.14Å; V13-A47 HydrophobicContact CG1-CB 4.3Å |
| 14 | Q | 79.6 | Confident | 75.3 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.5 | -61.2 | -175.6 | 12.3 | 0 | 0 | 111.3 | I6 T7 Q9 P10 P11 I16 F17 S18 | I6-Q14 HydrophobicContact CG2-CB 4.45Å; I6-Q14 HydrophobicContact CG2-CG 4.13Å; I6-Q14 VanDerWaalsContact O-CG 3.26Å; I6-Q14 WeakPolarHBondContact O-CG 3.46Å; I6-Q14 PolarHBondContact O-NE2 3.31Å; I6-Q14 VanDerWaalsContact O-NE2 3.14Å; T7-Q14 VanDerWaalsContact C-NE2 3.29Å; T7-Q14 PolarHBondContact O-NE2 3.16Å; Q9-Q14 HydrophobicContact CB-CG 4.34Å; Q9-Q14 PolarHBondContact O-NE2 3.1Å; P10-Q14 PolarHBondContact O-N 2.74Å; P11-Q14 WeakPolarHBondContact O-CB 3.27Å; P11-Q14 PolarHBondContact O-N 3.48Å; Q14-I16 VanDerWaalsContact C-N 3.28Å; Q14-I16 PolarHBondContact O-N 3.26Å; Q14-F17 PolarHBondContact O-N 3.13Å; Q14-F17 VanDerWaalsContact O-N 3.17Å; Q14-S18 PolarHBondContact O-N 3.28Å; Q14-S18 PolarHBondContact O-OG 3.15Å |
| 15 | A | 81.6 | Confident | 77 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.7 | -33 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P11 S18 R19 D20 E23 V24 L27 | P11-A15 WeakPolarHBondContact O-CB 3.41Å; P11-A15 PolarHBondContact O-N 3.25Å; A15-S18 VanDerWaalsContact CA-OG 3.28Å; A15-S18 WeakPolarHBondContact CA-OG 3.41Å; A15-S18 PolarHBondContact O-OG 3.09Å; A15-R19 PolarHBondContact O-N 3.08Å; A15-R19 VanDerWaalsContact O-N 3.12Å; A15-D20 PolarHBondContact O-N 3.29Å; A15-D20 VanDerWaalsContact O-N 3.11Å; A15-E23 HydrophobicContact CB-CB 4.34Å; A15-E23 HydrophobicContact CB-CG 4.07Å; A15-V24 HydrophobicContact CB-CG2 3.69Å; A15-L27 HydrophobicContact CB-CD1 4.19Å |
| 16 | I | 84.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 174.5 | -68.8 | 163.4 | 0 | 0 | 0 | 111.6 | L12 V13 Q14 R19 V24 P44 A47 A48 I56 L60 | L12-I16 HydrophobicContact CG-CD1 4.39Å; L12-I16 VanDerWaalsContact O-CD1 3.28Å; L12-I16 WeakPolarHBondContact O-CD1 3.42Å; L12-I16 WeakPolarHBondContact O-CG1 2.97Å; L12-I16 PolarHBondContact O-N 3.3Å; V13-I16 PolarHBondContact O-N 3.22Å; Q14-I16 VanDerWaalsContact C-N 3.28Å; Q14-I16 PolarHBondContact O-N 3.26Å; I16-R19 PolarHBondContact O-N 3.37Å; I16-V24 HydrophobicContact CG1-CG2 4.03Å; I16-P44 HydrophobicContact CD1-CB 3.55Å; I16-A47 HydrophobicContact CG2-CB 4.11Å; I16-A48 HydrophobicContact CG2-CB 3.89Å; I16-I56 HydrophobicContact CG1-CG2 3.82Å; I16-I56 HydrophobicContact CG2-CG2 4.36Å; I16-L60 HydrophobicContact CD1-CD1 3.81Å; I16-L60 HydrophobicContact CG1-CD1 4.47Å |
| 17 | F | 82.6 | Confident | 79.4 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 39% | 0.386 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.8 | -29.2 | 177.2 | -80.2 | -68.6 | 0 | 0 | 0 | 112.7 | V13 Q14 R19 A47 Y50 V51 | V13-F17 HydrophobicContact CG1-CD2 3.76Å; V13-F17 HydrophobicContact CG1-CE2 3.59Å; V13-F17 VanDerWaalsContact O-CD2 3.25Å; V13-F17 WeakPolarHBondContact O-CD2 3.33Å; V13-F17 PolarHBondContact O-N 2.99Å; V13-F17 VanDerWaalsContact O-N 3.08Å; Q14-F17 PolarHBondContact O-N 3.13Å; Q14-F17 VanDerWaalsContact O-N 3.17Å; F17-R19 VanDerWaalsContact C-N 3.29Å; F17-A47 HydrophobicContact CE2-CB 3.86Å; F17-A47 HydrophobicContact CZ-CB 3.95Å; F17-Y50 HydrophobicContact CE1-CD1 4.36Å; F17-V51 HydrophobicContact CD1-CG2 3.59Å; F17-V51 HydrophobicContact CE1-CG2 3.75Å; F17-V51 HydrophobicContact CG-CG2 4.47Å |
| 18 | S | 82.6 | Confident | 80.3 | Confident | 76 Ų | 76 | 57 Ų | 57 | 53% | 0.531 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -78.3 | -10.4 | 172.2 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | Q14 A15 D20 | Q14-S18 PolarHBondContact O-N 3.28Å; Q14-S18 PolarHBondContact O-OG 3.15Å; A15-S18 VanDerWaalsContact CA-OG 3.28Å; A15-S18 WeakPolarHBondContact CA-OG 3.41Å; A15-S18 PolarHBondContact O-OG 3.09Å; S18-D20 VanDerWaalsContact C-N 3.31Å |
| 19 | R | 83.1 | Confident | 81.1 | Confident | 152 Ų | 152 | 55.7 Ų | 55.7 | 57% | 0.574 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 30 | -177.6 | -56.8 | -177.7 | 172.2 | -178.1 | -6.5 | 114.2 | A15 I16 F17 V21 V51 | A15-R19 PolarHBondContact O-N 3.08Å; A15-R19 VanDerWaalsContact O-N 3.12Å; I16-R19 PolarHBondContact O-N 3.37Å; F17-R19 VanDerWaalsContact C-N 3.29Å; R19-V21 PolarHBondContact O-N 3.38Å; R19-V51 HydrophobicContact CG-CG1 4.04Å; R19-V51 PolarHBondContact NH2-O 3.42Å |
| 20 | D | 85 | Confident | 81.5 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | trans | -88.1 | 100.2 | 177.1 | -164.7 | -33.1 | 0 | 0 | 0 | 111.4 | A15 S18 E22 E23 V24 | A15-D20 PolarHBondContact O-N 3.29Å; A15-D20 VanDerWaalsContact O-N 3.11Å; S18-D20 VanDerWaalsContact C-N 3.31Å; D20-E22 VanDerWaalsContact C-N 3.35Å; D20-E22 PolarHBondContact O-N 2.97Å; D20-E22 PolarHBondContact OD1-N 3.02Å; D20-E23 HydrophobicContact CB-CB 3.87Å; D20-E23 PolarHBondContact OD1-N 2.87Å; D20-V24 VanDerWaalsContact O-CG2 3.25Å; D20-V24 WeakPolarHBondContact O-CG2 3.38Å; D20-V24 PolarHBondContact O-N 3.3Å; D20-V24 VanDerWaalsContact O-N 3.13Å | ||
| 21 | V | 84.5 | Confident | 81.3 | Confident | 37 Ų | 37 | 68 Ų | 68 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.8 | -35.4 | -178 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | R19 R25 P55 I56 L59 | R19-V21 PolarHBondContact O-N 3.38Å; V21-R25 WeakPolarHBondContact O-CB 3.36Å; V21-R25 PolarHBondContact O-N 2.7Å; V21-P55 HydrophobicContact CG1-CB 4.45Å; V21-P55 HydrophobicContact CG2-CB 4.23Å; V21-I56 HydrophobicContact CB-CG1 4.48Å; V21-I56 HydrophobicContact CG2-CD1 4.25Å; V21-I56 HydrophobicContact CG2-CG1 3.8Å; V21-L59 HydrophobicContact CG1-CD1 3.52Å |
| 22 | E | 83.6 | Confident | 81.1 | Confident | 121 Ų | 121 | 67.4 Ų | 67.4 | 57% | 0.565 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -79.1 | -36.4 | -175.6 | -66.4 | -55 | 135 | 0 | 0 | 111.1 | D20 R25 S26 | D20-E22 VanDerWaalsContact C-N 3.35Å; D20-E22 PolarHBondContact O-N 2.97Å; D20-E22 PolarHBondContact OD1-N 3.02Å; E22-R25 PolarHBondContact O-N 2.86Å; E22-R25 IonicContact OE2-NE 3.26Å; E22-S26 WeakPolarHBondContact O-CB 3.28Å; E22-S26 PolarHBondContact O-N 3.46Å |
| 23 | E | 82.1 | Confident | 81 | Confident | 93 Ų | 93 | 72.7 Ų | 72.7 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 171 | -169.8 | 172.6 | -159.6 | 0 | 0 | 111.2 | A15 D20 R25 S26 L27 | A15-E23 HydrophobicContact CB-CB 4.34Å; A15-E23 HydrophobicContact CB-CG 4.07Å; D20-E23 HydrophobicContact CB-CB 3.87Å; D20-E23 PolarHBondContact OD1-N 2.87Å; E23-R25 VanDerWaalsContact C-N 3.32Å; E23-R25 PolarHBondContact O-N 3.47Å; E23-S26 WeakPolarHBondContact O-CB 3.47Å; E23-S26 PolarHBondContact O-N 2.77Å; E23-L27 HydrophobicContact CG-CD1 4.17Å; E23-L27 VanDerWaalsContact O-CG 3.31Å; E23-L27 WeakPolarHBondContact O-CG 3.47Å; E23-L27 PolarHBondContact O-N 3Å |
| 24 | V | 81.7 | Confident | 81 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 173.6 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | L12 A15 I16 D20 S26 L27 L28 I56 | L12-V24 HydrophobicContact CD1-CG1 4.07Å; L12-V24 HydrophobicContact CD1-CG2 4.49Å; A15-V24 HydrophobicContact CB-CG2 3.69Å; I16-V24 HydrophobicContact CG1-CG2 4.03Å; D20-V24 VanDerWaalsContact O-CG2 3.25Å; D20-V24 WeakPolarHBondContact O-CG2 3.38Å; D20-V24 PolarHBondContact O-N 3.3Å; D20-V24 VanDerWaalsContact O-N 3.13Å; V24-S26 PolarHBondContact O-N 3.15Å; V24-L27 PolarHBondContact O-N 2.78Å; V24-L28 HydrophobicContact CG1-CD1 3.89Å; V24-L28 HydrophobicContact CG1-CG 4.37Å; V24-L28 WeakPolarHBondContact O-CB 3.32Å; V24-L28 WeakPolarHBondContact O-CG 2.95Å; V24-L28 PolarHBondContact O-N 2.94Å; V24-I56 HydrophobicContact CG1-CG2 4.42Å; V24-I56 HydrophobicContact CG2-CG2 4.44Å |
| 25 | R | 83 | Confident | 81.2 | Confident | 123 Ų | 123 | 73.2 Ų | 73.2 | 46% | 0.464 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 176.8 | -175.5 | -173.4 | -61.8 | -75.9 | -0.5 | 112 | V21 E22 E23 S29 | V21-R25 WeakPolarHBondContact O-CB 3.36Å; V21-R25 PolarHBondContact O-N 2.7Å; E22-R25 PolarHBondContact O-N 2.86Å; E22-R25 IonicContact OE2-NE 3.26Å; E23-R25 VanDerWaalsContact C-N 3.32Å; E23-R25 PolarHBondContact O-N 3.47Å; R25-S29 PolarHBondContact O-N 3.43Å; R25-S29 VanDerWaalsContact O-N 3.07Å |
| 26 | S | 83.1 | Confident | 81.2 | Confident | 57 Ų | 57 | 75 Ų | 75 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 178.2 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | E22 E23 V24 L28 S29 Q30 | E22-S26 WeakPolarHBondContact O-CB 3.28Å; E22-S26 PolarHBondContact O-N 3.46Å; E23-S26 WeakPolarHBondContact O-CB 3.47Å; E23-S26 PolarHBondContact O-N 2.77Å; V24-S26 PolarHBondContact O-N 3.15Å; S26-L28 PolarHBondContact O-N 3.44Å; S26-S29 WeakPolarHBondContact O-CB 3.47Å; S26-S29 PolarHBondContact O-N 3.13Å; S26-S29 VanDerWaalsContact O-N 3.15Å; S26-S29 PolarHBondContact O-OG 2.81Å; S26-Q30 WeakPolarHBondContact O-CG 3.41Å; S26-Q30 PolarHBondContact O-N 3.22Å |
| 27 | L | 81.3 | Confident | 81.1 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 177.9 | -67.5 | 172.5 | 0 | 0 | 0 | 112.6 | P11 L12 A15 E23 V24 S29 Q30 | P11-L27 HydrophobicContact CB-CD1 4.35Å; L12-L27 HydrophobicContact CD1-CB 4.25Å; L12-L27 HydrophobicContact CD1-CD1 4.46Å; A15-L27 HydrophobicContact CB-CD1 4.19Å; E23-L27 HydrophobicContact CG-CD1 4.17Å; E23-L27 VanDerWaalsContact O-CG 3.31Å; E23-L27 WeakPolarHBondContact O-CG 3.47Å; E23-L27 PolarHBondContact O-N 3Å; V24-L27 PolarHBondContact O-N 2.78Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.94Å; L27-Q30 PolarHBondContact O-N 3.02Å |
| 28 | L | 79.3 | Confident | 81 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 12% | 0.12 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66 | -34.8 | 174 | -68.7 | 172.6 | 0 | 0 | 0 | 112.6 | L12 V24 S26 Q30 K31 I34 L60 | L12-L28 HydrophobicContact CD1-CD2 4.45Å; L12-L28 HydrophobicContact CD1-CG 4.48Å; L12-L28 HydrophobicContact CD2-CD2 4.45Å; V24-L28 HydrophobicContact CG1-CD1 3.89Å; V24-L28 HydrophobicContact CG1-CG 4.37Å; V24-L28 WeakPolarHBondContact O-CB 3.32Å; V24-L28 WeakPolarHBondContact O-CG 2.95Å; V24-L28 PolarHBondContact O-N 2.94Å; S26-L28 PolarHBondContact O-N 3.44Å; L28-Q30 VanDerWaalsContact C-N 3.25Å; L28-Q30 PolarHBondContact O-N 3.29Å; L28-K31 PolarHBondContact O-N 2.68Å; L28-I34 HydrophobicContact CD2-CD1 3.9Å; L28-I34 HydrophobicContact CD2-CG1 3.6Å; L28-I34 HydrophobicContact CD2-CG2 4.48Å; L28-L60 HydrophobicContact CD1-CD2 4.23Å; L28-L60 HydrophobicContact CD2-CD2 4.19Å |
| 29 | S | 78.4 | Confident | 80.8 | Confident | 92 Ų | 92 | 80.9 Ų | 80.9 | 64% | 0.643 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68.4 | -25.2 | 176.4 | 79.1 | 0 | 0 | 0 | 0 | 113.1 | R25 S26 L27 K31 | R25-S29 PolarHBondContact O-N 3.43Å; R25-S29 VanDerWaalsContact O-N 3.07Å; S26-S29 WeakPolarHBondContact O-CB 3.47Å; S26-S29 PolarHBondContact O-N 3.13Å; S26-S29 VanDerWaalsContact O-N 3.15Å; S26-S29 PolarHBondContact O-OG 2.81Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.94Å; S29-K31 PolarHBondContact O-N 3.04Å |
| 30 | Q | 79.4 | Confident | 80.5 | Confident | 129 Ų | 129 | 77.2 Ų | 77.2 | 60% | 0.603 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 9.5 | 176.7 | -65.6 | 178.3 | 17.3 | 0 | 0 | 113.5 | S26 L27 L28 E32 | S26-Q30 WeakPolarHBondContact O-CG 3.41Å; S26-Q30 PolarHBondContact O-N 3.22Å; L27-Q30 PolarHBondContact O-N 3.02Å; L28-Q30 VanDerWaalsContact C-N 3.25Å; L28-Q30 PolarHBondContact O-N 3.29Å; Q30-E32 VanDerWaalsContact C-N 3.31Å; Q30-E32 PolarHBondContact O-N 2.91Å |
| 31 | K | 72.2 | Confident | 80.3 | Confident | 195 Ų | 195 | 81.1 Ų | 81.1 | 85% | 0.848 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 33.8 | -177.7 | -63.9 | -174.7 | 174.7 | -179.1 | 0 | 114.2 | L28 S29 | L28-K31 PolarHBondContact O-N 2.68Å; S29-K31 PolarHBondContact O-N 3.04Å |
| 32 | E | 74.3 | Confident | 80.3 | Confident | 59 Ų | 59 | 81.9 Ų | 81.9 | 28% | 0.276 | 40% | 0.395 | S | S | . | . | trans | -60 | 150.4 | 168.5 | -72.1 | -162.6 | 158.5 | 0 | 0 | 111.7 | Q30 I34 | Q30-E32 VanDerWaalsContact C-N 3.31Å; Q30-E32 PolarHBondContact O-N 2.91Å; E32-I34 PolarHBondContact O-N 3.5Å | ||
| 33 | N | 78.6 | Confident | 80.5 | Confident | 113 Ų | 113 | 76.3 Ų | 76.3 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | trans | -72 | 105.5 | -179.3 | -173 | -6.7 | 0 | 0 | 0 | 111 | N35 V36 | N33-N35 PolarHBondContact O-N 3.38Å; N33-N35 PolarHBondContact OD1-N 3.32Å; N33-N35 VanDerWaalsContact OD1-N 3.09Å; N33-V36 WeakPolarHBondContact O-CB 3.19Å; N33-V36 PolarHBondContact O-N 3.22Å; N33-V36 VanDerWaalsContact O-N 3.11Å | ||
| 34 | I | 80.1 | Confident | 80.7 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.8 | -177 | -54 | 176.5 | 0 | 0 | 0 | 112.4 | L28 E32 P44 L60 S63 A65 | L28-I34 HydrophobicContact CD2-CD1 3.9Å; L28-I34 HydrophobicContact CD2-CG1 3.6Å; L28-I34 HydrophobicContact CD2-CG2 4.48Å; E32-I34 PolarHBondContact O-N 3.5Å; I34-P44 WeakPolarHBondContact O-CD 3.47Å; I34-L60 HydrophobicContact CG2-CD2 4.41Å; I34-S63 WeakPolarHBondContact CD1-O 2.83Å; I34-A65 HydrophobicContact CG2-CB 3.73Å |
| 35 | N | 83.4 | Confident | 81.1 | Confident | 58 Ų | 58 | 72 Ų | 72 | 31% | 0.31 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 29.7 | 178.4 | -63.6 | -58.6 | 0 | 0 | 0 | 111.9 | N33 L37 N66 | N33-N35 PolarHBondContact O-N 3.38Å; N33-N35 PolarHBondContact OD1-N 3.32Å; N33-N35 VanDerWaalsContact OD1-N 3.09Å; N35-L37 PolarHBondContact O-N 3.24Å; N35-N66 PolarHBondContact OD1-N 3.05Å |
| 36 | V | 81.9 | Confident | 81.3 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | trans | -53 | 134.5 | 172.2 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | P10 N33 P44 | P10-V36 HydrophobicContact CB-CG1 4.37Å; P10-V36 HydrophobicContact CG-CG1 4.3Å; P10-V36 HydrophobicContact CG-CG2 3.97Å; N33-V36 WeakPolarHBondContact O-CB 3.19Å; N33-V36 PolarHBondContact O-N 3.22Å; N33-V36 VanDerWaalsContact O-N 3.11Å; V36-P44 HydrophobicContact CG1-CG 3.49Å; V36-P44 VanDerWaalsContact CG1-CG 3.49Å; V36-P44 VanDerWaalsContact O-CD 3.3Å; V36-P44 WeakPolarHBondContact O-CD 3.49Å | ||
| 37 | L | 83.1 | Confident | 81.4 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 48% | 0.482 | 31% | 0.314 | S | S | . | . | trans | -105.8 | 127.2 | 179.7 | -61.8 | -180 | 0 | 0 | 0 | 108.5 | N35 T43 | N35-L37 PolarHBondContact O-N 3.24Å; L37-T43 HydrophobicContact CD2-CG2 3.72Å | ||
| 38 | D | 80.1 | Confident | 81.7 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | trans | -78.2 | -176.2 | 169.2 | 72.3 | 5.6 | 0 | 0 | 0 | 111.8 | E40 R41 R42 | D38-E40 PolarHBondContact O-N 3.14Å; D38-E40 VanDerWaalsContact O-N 3.12Å; D38-E40 VanDerWaalsContact OD1-C 3.26Å; D38-E40 WeakPolarHBondContact OD1-CA 3.22Å; D38-E40 PolarHBondContact OD1-N 3.1Å; D38-R41 WeakPolarHBondContact O-CA 3.34Å; D38-R41 PolarHBondContact O-N 3.39Å; D38-R41 PolarHBondContact OD1-N 2.96Å; D38-R42 PolarHBondContact N-O 3.31Å; D38-R42 WeakPolarHBondContact OD1-CB 3.27Å; D38-R42 PolarHBondContact OD1-N 2.84Å; D38-R42 IonicContact OD1-NE 2.74Å; D38-R42 IonicContact OD2-CZ 3.21Å; D38-R42 IonicContact OD2-NE 3.66Å; D38-R42 PolarHBondContact OD2-NE 2.92Å; D38-R42 IonicContact OD2-NH2 2.81Å; D38-R42 PolarHBondContact OD2-NH2 3.34Å | ||
| 39 | Q | 78.2 | Confident | 82.2 | Confident | 169 Ų | 169 | 62.1 Ų | 62.1 | 79% | 0.79 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.9 | 178.7 | -64.5 | 178.6 | -2 | 0 | 0 | 113.2 | ||
| 40 | E | 77 | Confident | 82.6 | Confident | 75 Ų | 75 | 63.6 Ų | 63.6 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 13.4 | 176.1 | -66.7 | -177.4 | -173.5 | 0 | 0 | 112.6 | D38 R42 T72 | D38-E40 PolarHBondContact O-N 3.14Å; D38-E40 VanDerWaalsContact O-N 3.12Å; D38-E40 VanDerWaalsContact OD1-C 3.26Å; D38-E40 WeakPolarHBondContact OD1-CA 3.22Å; D38-E40 PolarHBondContact OD1-N 3.1Å; E40-R42 HydrophobicContact CB-CG 4Å; E40-R42 PolarHBondContact O-N 2.77Å; E40-R42 IonicContact OE1-NH1 2.71Å; E40-R42 IonicContact OE2-CZ 3.29Å; E40-R42 IonicContact OE2-NE 2.87Å; E40-R42 PolarHBondContact OE2-NE 3.32Å; E40-R42 IonicContact OE2-NH1 3Å; E40-R42 PolarHBondContact OE2-NH1 2.99Å; E40-R42 IonicContact OE2-NH2 2.66Å; E40-T72 VanDerWaalsContact C-CG2 3.49Å; E40-T72 VanDerWaalsContact O-CG2 3.25Å; E40-T72 WeakPolarHBondContact O-CG2 3.42Å; E40-T72 PolarHBondContact O-N 2.91Å; E40-T72 PolarHBondContact O-OG1 3.3Å |
| 41 | R | 81.1 | Confident | 83 | Confident | 151 Ų | 151 | 58.5 Ų | 58.5 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | trans | 57.1 | 25.6 | -175.9 | -56.9 | -178.4 | 67.7 | 172.8 | 2.8 | 114.1 | D38 T72 | D38-R41 WeakPolarHBondContact O-CA 3.34Å; D38-R41 PolarHBondContact O-N 3.39Å; D38-R41 PolarHBondContact OD1-N 2.96Å; R41-T72 HydrophobicContact CB-CG2 4.26Å; R41-T72 HydrophobicContact CG-CG2 4.02Å | ||
| 42 | R | 84 | Confident | 83.5 | Confident | 54 Ų | 54 | 50 Ų | 50 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | trans | -82.5 | 141 | 175.7 | -56.6 | 174.5 | -59 | -163.7 | 6.9 | 109.4 | D38 E40 H46 D71 | D38-R42 PolarHBondContact N-O 3.31Å; D38-R42 WeakPolarHBondContact OD1-CB 3.27Å; D38-R42 PolarHBondContact OD1-N 2.84Å; D38-R42 IonicContact OD1-NE 2.74Å; D38-R42 IonicContact OD2-CZ 3.21Å; D38-R42 IonicContact OD2-NE 3.66Å; D38-R42 PolarHBondContact OD2-NE 2.92Å; D38-R42 IonicContact OD2-NH2 2.81Å; D38-R42 PolarHBondContact OD2-NH2 3.34Å; E40-R42 HydrophobicContact CB-CG 4Å; E40-R42 PolarHBondContact O-N 2.77Å; E40-R42 IonicContact OE1-NH1 2.71Å; E40-R42 IonicContact OE2-CZ 3.29Å; E40-R42 IonicContact OE2-NE 2.87Å; E40-R42 PolarHBondContact OE2-NE 3.32Å; E40-R42 IonicContact OE2-NH1 3Å; E40-R42 PolarHBondContact OE2-NH1 2.99Å; E40-R42 IonicContact OE2-NH2 2.66Å; R42-H46 HydrophobicContact CB-CB 4.24Å; R42-D71 HydrophobicContact CG-CB 3.65Å | ||
| 43 | T | 88 | Confident | 84.1 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | trans | -92.5 | 160 | 173.8 | 62.1 | 0 | 0 | 0 | 0 | 111.3 | L37 L45 H46 A47 A69 | L37-T43 HydrophobicContact CD2-CG2 3.72Å; T43-L45 PolarHBondContact O-N 3.47Å; T43-H46 PolarHBondContact N-ND1 2.98Å; T43-H46 VanDerWaalsContact N-ND1 3.19Å; T43-H46 VanDerWaalsContact O-CB 3.32Å; T43-H46 WeakPolarHBondContact O-CB 3.27Å; T43-H46 PolarHBondContact O-N 3.33Å; T43-H46 PolarHBondContact OG1-ND1 3.25Å; T43-A47 PolarHBondContact O-N 3.37Å; T43-A69 HydrophobicContact CG2-CB 3.67Å | ||
| 44 | P | 86.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -50.5 | -31.7 | 169.8 | -28.2 | 34.1 | 0 | 0 | 0 | 113.1 | L12 V13 I16 I34 V36 H46 A47 A48 | L12-P44 HydrophobicContact CD2-CB 4.18Å; L12-P44 HydrophobicContact CD2-CG 3.87Å; L12-P44 HydrophobicContact CG-CB 4.37Å; L12-P44 HydrophobicContact CG-CG 4.37Å; V13-P44 HydrophobicContact CG2-CB 4.41Å; V13-P44 HydrophobicContact CG2-CG 4.14Å; I16-P44 HydrophobicContact CD1-CB 3.55Å; I34-P44 WeakPolarHBondContact O-CD 3.47Å; V36-P44 HydrophobicContact CG1-CG 3.49Å; V36-P44 VanDerWaalsContact CG1-CG 3.49Å; V36-P44 VanDerWaalsContact O-CD 3.3Å; V36-P44 WeakPolarHBondContact O-CD 3.49Å; P44-H46 VanDerWaalsContact C-N 3.35Å; P44-H46 PolarHBondContact O-N 2.94Å; P44-A47 PolarHBondContact O-N 2.9Å; P44-A48 PolarHBondContact O-N 3.46Å |
| 45 | L | 89.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.3 | -32.6 | 175.3 | -164 | 68.5 | 0 | 0 | 0 | 113.2 | T43 A49 L57 L60 L61 A65 N66 P77 L93 | T43-L45 PolarHBondContact O-N 3.47Å; L45-A49 VanDerWaalsContact O-CB 3.25Å; L45-A49 WeakPolarHBondContact O-CB 3.39Å; L45-A49 PolarHBondContact O-N 3.31Å; L45-L57 HydrophobicContact CD1-CD1 3.55Å; L45-L57 HydrophobicContact CD1-CG 4.12Å; L45-L57 HydrophobicContact CG-CD1 4.32Å; L45-L60 HydrophobicContact CD1-CB 4.05Å; L45-L60 HydrophobicContact CD1-CD1 4.49Å; L45-L61 HydrophobicContact CD1-CD2 4Å; L45-L61 HydrophobicContact CD1-CG 4.09Å; L45-L61 HydrophobicContact CD2-CD2 3.93Å; L45-A65 HydrophobicContact CB-CB 4.35Å; L45-A65 HydrophobicContact CD1-CB 4.24Å; L45-A65 HydrophobicContact CD2-CB 4.07Å; L45-A65 HydrophobicContact CG-CB 4.47Å; L45-N66 WeakPolarHBondContact CD2-O 3.47Å; L45-P77 HydrophobicContact CB-CG 4.28Å; L45-P77 HydrophobicContact CD2-CB 4.32Å; L45-P77 HydrophobicContact CD2-CG 3.94Å; L45-P77 HydrophobicContact CG-CB 4.14Å; L45-P77 HydrophobicContact CG-CG 4.02Å; L45-L93 HydrophobicContact CD2-CD2 4.4Å |
| 46 | H | 88.4 | Confident | 85.1 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -41.3 | 172.2 | -71.2 | 83.1 | 0 | 0 | 0 | 111.8 | R42 T43 P44 A49 Y50 A69 L75 P77 | R42-H46 HydrophobicContact CB-CB 4.24Å; T43-H46 PolarHBondContact N-ND1 2.98Å; T43-H46 VanDerWaalsContact N-ND1 3.19Å; T43-H46 VanDerWaalsContact O-CB 3.32Å; T43-H46 WeakPolarHBondContact O-CB 3.27Å; T43-H46 PolarHBondContact O-N 3.33Å; T43-H46 PolarHBondContact OG1-ND1 3.25Å; P44-H46 VanDerWaalsContact C-N 3.35Å; P44-H46 PolarHBondContact O-N 2.94Å; H46-A49 PolarHBondContact O-N 3.44Å; H46-Y50 WeakPolarHBondContact O-CB 3.42Å; H46-Y50 PolarHBondContact O-N 3.44Å; H46-A69 PolarHBondContact CE1-O 2.91Å; H46-A69 VanDerWaalsContact CE1-O 3.23Å; H46-A69 PolarHBondContact NE2-O 3.48Å; H46-L75 PolarHBondContact NE2-O 2.86Å; H46-P77 WeakPolarHBondContact NE2-CD 3.41Å |
| 47 | A | 85.3 | Confident | 85.4 | Confident | 12 Ų | 12 | 42 Ų | 42 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.7 | -47.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V13 I16 F17 T43 P44 A49 Y50 V51 | V13-A47 HydrophobicContact CG1-CB 4.3Å; I16-A47 HydrophobicContact CG2-CB 4.11Å; F17-A47 HydrophobicContact CE2-CB 3.86Å; F17-A47 HydrophobicContact CZ-CB 3.95Å; T43-A47 PolarHBondContact O-N 3.37Å; P44-A47 PolarHBondContact O-N 2.9Å; A47-A49 PolarHBondContact O-N 2.89Å; A47-Y50 PolarHBondContact O-N 2.81Å; A47-V51 VanDerWaalsContact O-CG2 3.28Å; A47-V51 WeakPolarHBondContact O-CG2 3.16Å; A47-V51 PolarHBondContact O-N 3.06Å |
| 48 | A | 87.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I16 P44 Y50 V51 G52 I56 L57 L60 | I16-A48 HydrophobicContact CG2-CB 3.89Å; P44-A48 PolarHBondContact O-N 3.46Å; A48-Y50 VanDerWaalsContact C-N 3.35Å; A48-Y50 PolarHBondContact O-N 3.12Å; A48-V51 PolarHBondContact O-N 2.98Å; A48-G52 PolarHBondContact O-N 3.31Å; A48-I56 HydrophobicContact CB-CG2 4.26Å; A48-L57 HydrophobicContact CB-CD1 3.7Å; A48-L60 HydrophobicContact CB-CD1 3.76Å |
| 49 | A | 88.6 | Confident | 86 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68 | -31.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L45 H46 A47 L57 P77 R80 A81 S84 V89 L93 | L45-A49 VanDerWaalsContact O-CB 3.25Å; L45-A49 WeakPolarHBondContact O-CB 3.39Å; L45-A49 PolarHBondContact O-N 3.31Å; H46-A49 PolarHBondContact O-N 3.44Å; A47-A49 PolarHBondContact O-N 2.89Å; A49-L57 HydrophobicContact CB-CD1 4.2Å; A49-P77 HydrophobicContact CB-CB 3.92Å; A49-P77 VanDerWaalsContact CB-O 3.31Å; A49-P77 WeakPolarHBondContact CB-O 3.43Å; A49-R80 HydrophobicContact CB-CB 4.27Å; A49-A81 HydrophobicContact CB-CB 4.44Å; A49-S84 PolarHBondContact O-OG 3.48Å; A49-V89 HydrophobicContact CB-CG1 4.22Å; A49-L93 HydrophobicContact CB-CD1 4.33Å |
| 50 | Y | 87.3 | Confident | 86.4 | Confident | 123 Ų | 123 | 33.7 Ų | 33.7 | 48% | 0.482 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -72.4 | -45 | 173 | 178.9 | -102.3 | 0 | 0 | 0 | 112 | F17 H46 A47 A48 G52 S84 | F17-Y50 HydrophobicContact CE1-CD1 4.36Å; H46-Y50 WeakPolarHBondContact O-CB 3.42Å; H46-Y50 PolarHBondContact O-N 3.44Å; A47-Y50 PolarHBondContact O-N 2.81Å; A48-Y50 VanDerWaalsContact C-N 3.35Å; A48-Y50 PolarHBondContact O-N 3.12Å; Y50-G52 VanDerWaalsContact C-N 3.29Å; Y50-G52 PolarHBondContact O-N 3.06Å; Y50-S84 WeakPolarHBondContact O-CB 3.45Å |
| 51 | V | 87.3 | Confident | 86.9 | Confident | 23 Ų | 23 | 30.8 Ų | 30.8 | 14% | 0.139 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.1 | -32.3 | 179.7 | 173.5 | 0 | 0 | 0 | 0 | 112 | F17 R19 A47 A48 D53 | F17-V51 HydrophobicContact CD1-CG2 3.59Å; F17-V51 HydrophobicContact CE1-CG2 3.75Å; F17-V51 HydrophobicContact CG-CG2 4.47Å; R19-V51 HydrophobicContact CG-CG1 4.04Å; R19-V51 PolarHBondContact NH2-O 3.42Å; A47-V51 VanDerWaalsContact O-CG2 3.28Å; A47-V51 WeakPolarHBondContact O-CG2 3.16Å; A47-V51 PolarHBondContact O-N 3.06Å; A48-V51 PolarHBondContact O-N 2.98Å; V51-D53 HydrophobicContact CG1-CB 4.34Å |
| 52 | G | 84.3 | Confident | 87.2 | Confident | 17 Ų | 17 | 30 Ų | 30 | 18% | 0.175 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 13.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | A48 Y50 V54 N86 V89 | A48-G52 PolarHBondContact O-N 3.31Å; Y50-G52 VanDerWaalsContact C-N 3.29Å; Y50-G52 PolarHBondContact O-N 3.06Å; G52-V54 PolarHBondContact O-N 3.36Å; G52-N86 WeakPolarHBondContact CA-ND2 3.41Å; G52-V89 WeakPolarHBondContact O-CG2 3.5Å |
| 53 | D | 85.9 | Confident | 87.2 | Confident | 26 Ų | 26 | 30.1 Ų | 30.1 | 14% | 0.139 | 16% | 0.163 | C | C | . | . | trans | -84.2 | 108.9 | -175.1 | -163.9 | -46.9 | 0 | 0 | 0 | 111.6 | V51 P55 I56 L57 | V51-D53 HydrophobicContact CG1-CB 4.34Å; D53-P55 WeakPolarHBondContact OD1-CD 3.31Å; D53-I56 HydrophobicContact CB-CB 4.15Å; D53-I56 HydrophobicContact CB-CD1 4.2Å; D53-I56 HydrophobicContact CB-CG1 4.32Å; D53-I56 PolarHBondContact OD1-N 2.94Å; D53-L57 VanDerWaalsContact O-CB 3.24Å; D53-L57 WeakPolarHBondContact O-CB 3.16Å; D53-L57 PolarHBondContact O-N 3.05Å | ||
| 54 | V | 88.2 | Confident | 87 | Confident | 39 Ų | 39 | 32.4 Ų | 32.4 | 24% | 0.236 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -52.2 | -175.1 | 161.7 | 0 | 0 | 0 | 0 | 112.8 | G52 I56 L57 Q58 K88 V89 L92 | G52-V54 PolarHBondContact O-N 3.36Å; V54-I56 PolarHBondContact O-N 3.28Å; V54-L57 PolarHBondContact O-N 2.86Å; V54-Q58 WeakPolarHBondContact O-CB 3.44Å; V54-Q58 PolarHBondContact O-N 3.32Å; V54-K88 HydrophobicContact CG2-CB 3.74Å; V54-V89 HydrophobicContact CG2-CG2 3.75Å; V54-L92 HydrophobicContact CB-CD1 4.13Å; V54-L92 HydrophobicContact CG1-CD1 3.37Å; V54-L92 HydrophobicContact CG2-CD1 4.07Å |
| 55 | P | 88.1 | Confident | 87.1 | Confident | 66 Ų | 66 | 32.9 Ų | 32.9 | 43% | 0.429 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -53 | -47.2 | 175.4 | -28.8 | 31.1 | 0 | 0 | 0 | 114.2 | V21 D53 Q58 L59 | V21-P55 HydrophobicContact CG1-CB 4.45Å; V21-P55 HydrophobicContact CG2-CB 4.23Å; D53-P55 WeakPolarHBondContact OD1-CD 3.31Å; P55-Q58 PolarHBondContact O-N 3.46Å; P55-L59 WeakPolarHBondContact O-CG 3.44Å; P55-L59 PolarHBondContact O-N 2.71Å |
| 56 | I | 86.8 | Confident | 87 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -44.5 | -179.3 | -65.7 | -177.9 | 0 | 0 | 0 | 110.6 | I16 V21 V24 A48 D53 V54 Q58 L59 L60 | I16-I56 HydrophobicContact CG1-CG2 3.82Å; I16-I56 HydrophobicContact CG2-CG2 4.36Å; V21-I56 HydrophobicContact CB-CG1 4.48Å; V21-I56 HydrophobicContact CG2-CD1 4.25Å; V21-I56 HydrophobicContact CG2-CG1 3.8Å; V24-I56 HydrophobicContact CG1-CG2 4.42Å; V24-I56 HydrophobicContact CG2-CG2 4.44Å; A48-I56 HydrophobicContact CB-CG2 4.26Å; D53-I56 HydrophobicContact CB-CB 4.15Å; D53-I56 HydrophobicContact CB-CD1 4.2Å; D53-I56 HydrophobicContact CB-CG1 4.32Å; D53-I56 PolarHBondContact OD1-N 2.94Å; V54-I56 PolarHBondContact O-N 3.28Å; I56-Q58 VanDerWaalsContact C-N 3.34Å; I56-Q58 PolarHBondContact O-N 3.36Å; I56-L59 PolarHBondContact O-N 3.01Å; I56-L60 HydrophobicContact CG2-CD1 4.07Å; I56-L60 WeakPolarHBondContact O-CG 3.47Å; I56-L60 PolarHBondContact O-N 3.22Å |
| 57 | L | 89.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -43 | 177.2 | -164.4 | 85.7 | 0 | 0 | 0 | 111.9 | L45 A48 A49 D53 V54 L60 L61 V89 L92 L93 | L45-L57 HydrophobicContact CD1-CD1 3.55Å; L45-L57 HydrophobicContact CD1-CG 4.12Å; L45-L57 HydrophobicContact CG-CD1 4.32Å; A48-L57 HydrophobicContact CB-CD1 3.7Å; A49-L57 HydrophobicContact CB-CD1 4.2Å; D53-L57 VanDerWaalsContact O-CB 3.24Å; D53-L57 WeakPolarHBondContact O-CB 3.16Å; D53-L57 PolarHBondContact O-N 3.05Å; V54-L57 PolarHBondContact O-N 2.86Å; L57-L60 PolarHBondContact O-N 3.12Å; L57-L61 HydrophobicContact CD2-CD1 4.38Å; L57-L61 HydrophobicContact CG-CD1 4.25Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.48Å; L57-L61 PolarHBondContact O-N 2.72Å; L57-V89 HydrophobicContact CD1-CG1 4.37Å; L57-V89 HydrophobicContact CD2-CB 4.07Å; L57-V89 HydrophobicContact CD2-CG1 3.47Å; L57-V89 VanDerWaalsContact CD2-CG1 3.47Å; L57-V89 HydrophobicContact CD2-CG2 4.26Å; L57-L92 HydrophobicContact CD2-CB 4.33Å; L57-L93 HydrophobicContact CD2-CD2 4.21Å; L57-L93 HydrophobicContact CD2-CG 4.03Å |
| 58 | Q | 88.3 | Confident | 87.4 | Confident | 89 Ų | 89 | 39.8 Ų | 39.8 | 42% | 0.416 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 178.6 | -174.7 | 175.3 | 2.4 | 0 | 0 | 111.6 | V54 P55 I56 L61 M62 | V54-Q58 WeakPolarHBondContact O-CB 3.44Å; V54-Q58 PolarHBondContact O-N 3.32Å; P55-Q58 PolarHBondContact O-N 3.46Å; I56-Q58 VanDerWaalsContact C-N 3.34Å; I56-Q58 PolarHBondContact O-N 3.36Å; Q58-L61 PolarHBondContact O-N 3.46Å; Q58-M62 HydrophobicContact CG-CG 4.49Å; Q58-M62 HydrophobicContact CG-SD 4.09Å; Q58-M62 WeakPolarHBondContact O-CB 3.24Å; Q58-M62 VanDerWaalsContact O-CG 3.29Å; Q58-M62 WeakPolarHBondContact O-CG 3.37Å; Q58-M62 PolarHBondContact O-N 3.42Å |
| 59 | L | 86.5 | Confident | 87.5 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 175.1 | -71.6 | 170.7 | 0 | 0 | 0 | 111.6 | V21 P55 I56 L61 M62 S63 | V21-L59 HydrophobicContact CG1-CD1 3.52Å; P55-L59 WeakPolarHBondContact O-CG 3.44Å; P55-L59 PolarHBondContact O-N 2.71Å; I56-L59 PolarHBondContact O-N 3.01Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 2.78Å; L59-M62 PolarHBondContact O-N 3.12Å; L59-S63 WeakPolarHBondContact O-CB 3.06Å; L59-S63 PolarHBondContact O-N 3.24Å; L59-S63 PolarHBondContact O-OG 3.41Å; L59-S63 VanDerWaalsContact O-OG 3.07Å |
| 60 | L | 86.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 177.9 | -68.6 | 169.4 | 0 | 0 | 0 | 112.3 | I16 L28 I34 L45 A48 I56 L57 S63 G64 A65 | I16-L60 HydrophobicContact CD1-CD1 3.81Å; I16-L60 HydrophobicContact CG1-CD1 4.47Å; L28-L60 HydrophobicContact CD1-CD2 4.23Å; L28-L60 HydrophobicContact CD2-CD2 4.19Å; I34-L60 HydrophobicContact CG2-CD2 4.41Å; L45-L60 HydrophobicContact CD1-CB 4.05Å; L45-L60 HydrophobicContact CD1-CD1 4.49Å; A48-L60 HydrophobicContact CB-CD1 3.76Å; I56-L60 HydrophobicContact CG2-CD1 4.07Å; I56-L60 WeakPolarHBondContact O-CG 3.47Å; I56-L60 PolarHBondContact O-N 3.22Å; L57-L60 PolarHBondContact O-N 3.12Å; L60-S63 PolarHBondContact O-N 3.43Å; L60-G64 PolarHBondContact O-N 2.87Å; L60-A65 HydrophobicContact CB-CB 4.22Å; L60-A65 WeakPolarHBondContact O-CB 3.41Å; L60-A65 PolarHBondContact O-N 2.85Å |
| 61 | L | 88 | Confident | 87.6 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.7 | -44.6 | 177.6 | -70.2 | 170.6 | 0 | 0 | 0 | 112.3 | L45 L57 Q58 L59 S63 G64 V67 L93 H96 | L45-L61 HydrophobicContact CD1-CD2 4Å; L45-L61 HydrophobicContact CD1-CG 4.09Å; L45-L61 HydrophobicContact CD2-CD2 3.93Å; L57-L61 HydrophobicContact CD2-CD1 4.38Å; L57-L61 HydrophobicContact CG-CD1 4.25Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.48Å; L57-L61 PolarHBondContact O-N 2.72Å; Q58-L61 PolarHBondContact O-N 3.46Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 2.78Å; L61-S63 PolarHBondContact O-N 3.28Å; L61-G64 PolarHBondContact O-N 3.08Å; L61-G64 VanDerWaalsContact O-N 3.11Å; L61-V67 HydrophobicContact CD2-CB 4.44Å; L61-V67 HydrophobicContact CD2-CG1 4.45Å; L61-V67 HydrophobicContact CD2-CG2 3.52Å; L61-L93 HydrophobicContact CD1-CD2 4.3Å; L61-L93 HydrophobicContact CD2-CD2 4.32Å; L61-H96 HydrophobicContact CD1-CB 4.46Å; L61-H96 HydrophobicContact CD2-CB 4.43Å |
| 62 | M | 87.1 | Confident | 87.7 | Confident | 136 Ų | 136 | 41.1 Ų | 41.1 | 67% | 0.67 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.9 | -29.5 | 177 | -72.7 | 179.6 | 70 | 0 | 0 | 112.6 | Q58 L59 G64 | Q58-M62 HydrophobicContact CG-CG 4.49Å; Q58-M62 HydrophobicContact CG-SD 4.09Å; Q58-M62 WeakPolarHBondContact O-CB 3.24Å; Q58-M62 VanDerWaalsContact O-CG 3.29Å; Q58-M62 WeakPolarHBondContact O-CG 3.37Å; Q58-M62 PolarHBondContact O-N 3.42Å; L59-M62 PolarHBondContact O-N 3.12Å; M62-G64 VanDerWaalsContact C-N 3.29Å |
| 63 | S | 84.3 | Confident | 87.9 | Confident | 56 Ų | 56 | 44.4 Ų | 44.4 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 3.1 | 176.5 | -58 | 0 | 0 | 0 | 0 | 113.9 | I34 L59 L60 L61 | I34-S63 WeakPolarHBondContact CD1-O 2.83Å; L59-S63 WeakPolarHBondContact O-CB 3.06Å; L59-S63 PolarHBondContact O-N 3.24Å; L59-S63 PolarHBondContact O-OG 3.41Å; L59-S63 VanDerWaalsContact O-OG 3.07Å; L60-S63 PolarHBondContact O-N 3.43Å; L61-S63 PolarHBondContact O-N 3.28Å |
| 64 | G | 83.9 | Confident | 88.1 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 54% | 0.536 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 25.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L60 L61 M62 | L60-G64 PolarHBondContact O-N 2.87Å; L61-G64 PolarHBondContact O-N 3.08Å; L61-G64 VanDerWaalsContact O-N 3.11Å; M62-G64 VanDerWaalsContact C-N 3.29Å |
| 65 | A | 87.6 | Confident | 88.2 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | trans | -61.6 | 140 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | I34 L45 L60 V67 | I34-A65 HydrophobicContact CG2-CB 3.73Å; L45-A65 HydrophobicContact CB-CB 4.35Å; L45-A65 HydrophobicContact CD1-CB 4.24Å; L45-A65 HydrophobicContact CD2-CB 4.07Å; L45-A65 HydrophobicContact CG-CB 4.47Å; L60-A65 HydrophobicContact CB-CB 4.22Å; L60-A65 WeakPolarHBondContact O-CB 3.41Å; L60-A65 PolarHBondContact O-N 2.85Å; A65-V67 PolarHBondContact O-N 3.19Å; A65-V67 VanDerWaalsContact O-N 3.16Å | ||
| 66 | N | 88.6 | Confident | 88.4 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | trans | -74.1 | 107.7 | 177.7 | -177.9 | 1 | 0 | 0 | 0 | 111.3 | N35 L45 N68 A69 | N35-N66 PolarHBondContact OD1-N 3.05Å; L45-N66 WeakPolarHBondContact CD2-O 3.47Å; N66-N68 VanDerWaalsContact C-N 3.27Å; N66-N68 PolarHBondContact O-N 3.28Å; N66-N68 PolarHBondContact OD1-N 3.03Å; N66-N68 VanDerWaalsContact OD1-N 3.12Å; N66-A69 HydrophobicContact CB-CB 4.22Å; N66-A69 WeakPolarHBondContact O-CB 3.25Å; N66-A69 PolarHBondContact O-N 3.23Å; N66-A69 PolarHBondContact OD1-N 2.95Å | ||
| 67 | V | 89.4 | Confident | 88.6 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -31.7 | -177.7 | -166.9 | 0 | 0 | 0 | 0 | 113.2 | L61 A65 P77 L93 H96 A98 | L61-V67 HydrophobicContact CD2-CB 4.44Å; L61-V67 HydrophobicContact CD2-CG1 4.45Å; L61-V67 HydrophobicContact CD2-CG2 3.52Å; A65-V67 PolarHBondContact O-N 3.19Å; A65-V67 VanDerWaalsContact O-N 3.16Å; V67-P77 WeakPolarHBondContact O-CD 3.35Å; V67-L93 HydrophobicContact CG1-CD2 3.98Å; V67-H96 HydrophobicContact CG2-CB 4.22Å; V67-A98 HydrophobicContact CG1-CB 3.62Å |
| 68 | N | 91.3 | Very high | 88.8 | Confident | 60 Ų | 60 | 45.5 Ų | 45.5 | 32% | 0.321 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 21.3 | -175 | -65.9 | -43 | 0 | 0 | 0 | 112.8 | N66 S97 A98 D99 | N66-N68 VanDerWaalsContact C-N 3.27Å; N66-N68 PolarHBondContact O-N 3.28Å; N66-N68 PolarHBondContact OD1-N 3.03Å; N66-N68 VanDerWaalsContact OD1-N 3.12Å; N68-S97 PolarHBondContact ND2-O 3.22Å; N68-A98 WeakPolarHBondContact OD1-CA 3.44Å; N68-D99 PolarHBondContact OD1-N 2.73Å |
| 69 | A | 89.4 | Confident | 89 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | trans | -57.6 | 142.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T43 H46 N66 T76 P77 | T43-A69 HydrophobicContact CG2-CB 3.67Å; H46-A69 PolarHBondContact CE1-O 2.91Å; H46-A69 VanDerWaalsContact CE1-O 3.23Å; H46-A69 PolarHBondContact NE2-O 3.48Å; N66-A69 HydrophobicContact CB-CB 4.22Å; N66-A69 WeakPolarHBondContact O-CB 3.25Å; N66-A69 PolarHBondContact O-N 3.23Å; N66-A69 PolarHBondContact OD1-N 2.95Å; A69-T76 WeakPolarHBondContact O-CA 3.29Å; A69-P77 WeakPolarHBondContact O-CD 3.5Å | ||
| 70 | K | 91.1 | Very high | 89.2 | Confident | 96 Ų | 96 | 41.9 Ų | 41.9 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | trans | -115.4 | 129.9 | -179.2 | -75.5 | -172.3 | 178 | -164.4 | 0 | 110.6 | W74 L75 T76 R103 | K70-W74 HydrophobicContact CD-CB 4.1Å; K70-W74 HydrophobicContact CD-CG 4.43Å; K70-L75 WeakPolarHBondContact CA-O 3.47Å; K70-T76 HydrophobicContact CG-CG2 4.12Å; K70-R103 PolarHBondContact NZ-O 3.5Å | ||
| 71 | D | 88.7 | Confident | 89.5 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | trans | -76.4 | -176.6 | 171 | 73 | 10.3 | 0 | 0 | 0 | 112.4 | R42 L73 W74 L75 R80 | R42-D71 HydrophobicContact CG-CB 3.65Å; D71-L73 PolarHBondContact O-N 3.32Å; D71-L73 WeakPolarHBondContact OD1-CA 3.32Å; D71-L73 WeakPolarHBondContact OD1-CB 3.27Å; D71-L73 PolarHBondContact OD1-N 2.89Å; D71-W74 WeakPolarHBondContact O-CA 3.07Å; D71-W74 PolarHBondContact O-N 3.01Å; D71-W74 PolarHBondContact OD1-N 3.44Å; D71-W74 VanDerWaalsContact OD1-N 3.09Å; D71-L75 PolarHBondContact N-O 3.31Å; D71-L75 WeakPolarHBondContact OD1-CB 3.38Å; D71-L75 PolarHBondContact OD1-N 3.38Å; D71-R80 IonicContact OD2-CZ 2.63Å; D71-R80 IonicContact OD2-NE 2.75Å; D71-R80 IonicContact OD2-NH2 3.21Å; D71-R80 PolarHBondContact OD2-NH2 2.8Å | ||
| 72 | T | 89.3 | Confident | 89.7 | Confident | 62 Ų | 62 | 41.3 Ų | 41.3 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.8 | 177.6 | 49 | 0 | 0 | 0 | 0 | 114.1 | E40 R41 W74 | E40-T72 VanDerWaalsContact C-CG2 3.49Å; E40-T72 VanDerWaalsContact O-CG2 3.25Å; E40-T72 WeakPolarHBondContact O-CG2 3.42Å; E40-T72 PolarHBondContact O-N 2.91Å; E40-T72 PolarHBondContact O-OG1 3.3Å; R41-T72 HydrophobicContact CB-CG2 4.26Å; R41-T72 HydrophobicContact CG-CG2 4.02Å; T72-W74 VanDerWaalsContact C-N 3.34Å |
| 73 | L | 87 | Confident | 89.9 | Confident | 86 Ų | 86 | 36.4 Ų | 36.4 | 45% | 0.45 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.8 | 174.5 | -59.9 | -180 | 0 | 0 | 0 | 112.4 | D71 L75 K105 | D71-L73 PolarHBondContact O-N 3.32Å; D71-L73 WeakPolarHBondContact OD1-CA 3.32Å; D71-L73 WeakPolarHBondContact OD1-CB 3.27Å; D71-L73 PolarHBondContact OD1-N 2.89Å; L73-L75 HydrophobicContact CB-CD1 4.16Å; L73-L75 HydrophobicContact CB-CG 4.19Å; L73-L75 HydrophobicContact CD1-CD1 4.36Å; L73-L75 PolarHBondContact O-N 3.44Å; L73-K105 WeakPolarHBondContact O-CB 3.33Å; L73-K105 PolarHBondContact O-N 3.42Å |
| 74 | W | 89.9 | Confident | 90 | Very high | 130 Ų | 130 | 35.1 Ų | 35.1 | 49% | 0.492 | 20% | 0.195 | S | C | . | . | trans | 63 | 17.8 | -174.9 | -58.8 | -8.1 | 0 | 0 | 0 | 114.5 | K70 D71 T72 | K70-W74 HydrophobicContact CD-CB 4.1Å; K70-W74 HydrophobicContact CD-CG 4.43Å; D71-W74 WeakPolarHBondContact O-CA 3.07Å; D71-W74 PolarHBondContact O-N 3.01Å; D71-W74 PolarHBondContact OD1-N 3.44Å; D71-W74 VanDerWaalsContact OD1-N 3.09Å; T72-W74 VanDerWaalsContact C-N 3.34Å | ||
| 75 | L | 90.5 | Very high | 90.4 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | trans | -72 | 143 | 173.6 | -63.5 | 165.3 | 0 | 0 | 0 | 109.2 | H46 K70 D71 L73 H79 D104 | H46-L75 PolarHBondContact NE2-O 2.86Å; K70-L75 WeakPolarHBondContact CA-O 3.47Å; D71-L75 PolarHBondContact N-O 3.31Å; D71-L75 WeakPolarHBondContact OD1-CB 3.38Å; D71-L75 PolarHBondContact OD1-N 3.38Å; L73-L75 HydrophobicContact CB-CD1 4.16Å; L73-L75 HydrophobicContact CB-CG 4.19Å; L73-L75 HydrophobicContact CD1-CD1 4.36Å; L73-L75 PolarHBondContact O-N 3.44Å; L75-H79 HydrophobicContact CB-CB 4.25Å; L75-H79 HydrophobicContact CD2-CB 3.77Å; L75-D104 HydrophobicContact CD2-CB 3.74Å; L75-D104 HydrophobicContact CG-CB 4.32Å | ||
| 76 | T | 93.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | trans | -101.1 | 164.3 | 173.2 | 65.9 | 0 | 0 | 0 | 0 | 110.6 | A69 K70 L78 H79 R80 A102 | A69-T76 WeakPolarHBondContact O-CA 3.29Å; K70-T76 HydrophobicContact CG-CG2 4.12Å; T76-L78 PolarHBondContact O-N 3.28Å; T76-L78 VanDerWaalsContact O-N 3.12Å; T76-L78 PolarHBondContact OG1-N 3.11Å; T76-H79 PolarHBondContact N-ND1 3.35Å; T76-H79 WeakPolarHBondContact O-CB 3.39Å; T76-H79 PolarHBondContact O-N 3.39Å; T76-H79 PolarHBondContact OG1-N 2.96Å; T76-H79 PolarHBondContact OG1-ND1 3.07Å; T76-R80 PolarHBondContact O-N 3.4Å; T76-A102 HydrophobicContact CG2-CB 3.78Å | ||
| 77 | P | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53 | -32.6 | 171 | -26.8 | 35.7 | 0 | 0 | 0 | 112.5 | L45 H46 A49 V67 A69 H79 R80 A81 L93 | L45-P77 HydrophobicContact CB-CG 4.28Å; L45-P77 HydrophobicContact CD2-CB 4.32Å; L45-P77 HydrophobicContact CD2-CG 3.94Å; L45-P77 HydrophobicContact CG-CB 4.14Å; L45-P77 HydrophobicContact CG-CG 4.02Å; H46-P77 WeakPolarHBondContact NE2-CD 3.41Å; A49-P77 HydrophobicContact CB-CB 3.92Å; A49-P77 VanDerWaalsContact CB-O 3.31Å; A49-P77 WeakPolarHBondContact CB-O 3.43Å; V67-P77 WeakPolarHBondContact O-CD 3.35Å; A69-P77 WeakPolarHBondContact O-CD 3.5Å; P77-H79 PolarHBondContact O-N 3.25Å; P77-R80 PolarHBondContact O-N 2.72Å; P77-A81 PolarHBondContact O-N 2.94Å; P77-L93 HydrophobicContact CB-CD1 4.23Å; P77-L93 HydrophobicContact CB-CD2 4.32Å |
| 78 | L | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 175.2 | -168.7 | 64.2 | 0 | 0 | 0 | 112.7 | T76 R80 A81 A82 L90 L93 L94 A98 V100 P110 L126 | T76-L78 PolarHBondContact O-N 3.28Å; T76-L78 VanDerWaalsContact O-N 3.12Å; T76-L78 PolarHBondContact OG1-N 3.11Å; L78-R80 VanDerWaalsContact C-N 3.34Å; L78-A81 PolarHBondContact O-N 2.98Å; L78-A82 WeakPolarHBondContact O-CB 3.43Å; L78-A82 PolarHBondContact O-N 3.33Å; L78-L90 HydrophobicContact CD1-CD1 3.92Å; L78-L90 HydrophobicContact CD1-CG 3.77Å; L78-L93 HydrophobicContact CD1-CB 4.1Å; L78-L93 HydrophobicContact CD1-CD1 4.35Å; L78-L94 HydrophobicContact CD1-CD2 4.25Å; L78-L94 HydrophobicContact CD1-CG 4.36Å; L78-L94 HydrophobicContact CD2-CD2 4.17Å; L78-A98 HydrophobicContact CB-CB 4.47Å; L78-A98 HydrophobicContact CD1-CB 4.42Å; L78-A98 HydrophobicContact CD2-CB 4.02Å; L78-V100 HydrophobicContact CD2-CG1 4.26Å; L78-P110 HydrophobicContact CB-CG 4.37Å; L78-P110 HydrophobicContact CD2-CB 4.27Å; L78-P110 HydrophobicContact CD2-CG 3.85Å; L78-P110 HydrophobicContact CG-CB 4.06Å; L78-P110 HydrophobicContact CG-CG 3.97Å; L78-L126 HydrophobicContact CD2-CD2 4.39Å |
| 79 | H | 92.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 172.9 | -69.1 | 86 | 0 | 0 | 0 | 111.6 | L75 T76 P77 A82 A83 A102 Q108 P110 | L75-H79 HydrophobicContact CB-CB 4.25Å; L75-H79 HydrophobicContact CD2-CB 3.77Å; T76-H79 PolarHBondContact N-ND1 3.35Å; T76-H79 WeakPolarHBondContact O-CB 3.39Å; T76-H79 PolarHBondContact O-N 3.39Å; T76-H79 PolarHBondContact OG1-N 2.96Å; T76-H79 PolarHBondContact OG1-ND1 3.07Å; P77-H79 PolarHBondContact O-N 3.25Å; H79-A82 PolarHBondContact O-N 3.42Å; H79-A83 WeakPolarHBondContact O-CB 3.25Å; H79-A83 PolarHBondContact O-N 3.01Å; H79-A102 PolarHBondContact CE1-O 3Å; H79-A102 PolarHBondContact NE2-O 3.38Å; H79-Q108 PolarHBondContact NE2-O 3.39Å; H79-P110 WeakPolarHBondContact NE2-CD 3.43Å |
| 80 | R | 90.6 | Very high | 90.8 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 13% | 0.132 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -38.1 | 178.2 | -62.7 | -68.7 | -177.9 | 168.7 | 0.4 | 112.1 | A49 D71 T76 P77 L78 A83 S84 | A49-R80 HydrophobicContact CB-CB 4.27Å; D71-R80 IonicContact OD2-CZ 2.63Å; D71-R80 IonicContact OD2-NE 2.75Å; D71-R80 IonicContact OD2-NH2 3.21Å; D71-R80 PolarHBondContact OD2-NH2 2.8Å; T76-R80 PolarHBondContact O-N 3.4Å; P77-R80 PolarHBondContact O-N 2.72Å; L78-R80 VanDerWaalsContact C-N 3.34Å; R80-A83 PolarHBondContact O-N 3.48Å; R80-S84 WeakPolarHBondContact O-CB 3.44Å; R80-S84 PolarHBondContact O-N 3.28Å; R80-S84 PolarHBondContact O-OG 2.9Å; R80-S84 VanDerWaalsContact O-OG 3.14Å |
| 81 | A | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -39.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A49 P77 L78 S84 R85 N86 V89 L90 L93 | A49-A81 HydrophobicContact CB-CB 4.44Å; P77-A81 PolarHBondContact O-N 2.94Å; L78-A81 PolarHBondContact O-N 2.98Å; A81-S84 WeakPolarHBondContact CA-OG 3.14Å; A81-S84 PolarHBondContact O-N 3.02Å; A81-S84 PolarHBondContact O-OG 3.39Å; A81-R85 PolarHBondContact O-N 3.12Å; A81-N86 PolarHBondContact O-N 3.34Å; A81-V89 HydrophobicContact CB-CG1 3.74Å; A81-L90 HydrophobicContact CB-CB 4.26Å; A81-L93 HydrophobicContact CB-CD1 3.96Å |
| 82 | A | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L78 H79 R85 L90 P110 V113 A114 A119 | L78-A82 WeakPolarHBondContact O-CB 3.43Å; L78-A82 PolarHBondContact O-N 3.33Å; H79-A82 PolarHBondContact O-N 3.42Å; A82-R85 PolarHBondContact O-N 3.08Å; A82-L90 HydrophobicContact CB-CD1 4.24Å; A82-P110 HydrophobicContact CB-CB 4.46Å; A82-P110 WeakPolarHBondContact CB-O 3.4Å; A82-V113 HydrophobicContact CB-CB 4.45Å; A82-V113 HydrophobicContact CB-CG1 4.38Å; A82-A114 HydrophobicContact CB-CB 4.1Å; A82-A119 WeakPolarHBondContact O-CB 3.37Å |
| 83 | A | 90.8 | Very high | 90.9 | Very high | 34 Ų | 34 | 41 Ų | 41 | 28% | 0.281 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H79 R80 R85 V113 | H79-A83 WeakPolarHBondContact O-CB 3.25Å; H79-A83 PolarHBondContact O-N 3.01Å; R80-A83 PolarHBondContact O-N 3.48Å; A83-R85 VanDerWaalsContact C-N 3.26Å; A83-R85 PolarHBondContact O-N 2.97Å; A83-V113 HydrophobicContact CB-CG1 3.72Å |
| 84 | S | 88.4 | Confident | 91.1 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -0.6 | 179.9 | 67.8 | 0 | 0 | 0 | 0 | 114.2 | A49 Y50 R80 A81 N86 | A49-S84 PolarHBondContact O-OG 3.48Å; Y50-S84 WeakPolarHBondContact O-CB 3.45Å; R80-S84 WeakPolarHBondContact O-CB 3.44Å; R80-S84 PolarHBondContact O-N 3.28Å; R80-S84 PolarHBondContact O-OG 2.9Å; R80-S84 VanDerWaalsContact O-OG 3.14Å; A81-S84 WeakPolarHBondContact CA-OG 3.14Å; A81-S84 PolarHBondContact O-N 3.02Å; A81-S84 PolarHBondContact O-OG 3.39Å; S84-N86 VanDerWaalsContact CB-ND2 3.35Å; S84-N86 WeakPolarHBondContact CB-ND2 3.14Å; S84-N86 PolarHBondContact O-N 2.79Å; S84-N86 PolarHBondContact O-ND2 2.96Å; S84-N86 PolarHBondContact OG-ND2 3.47Å |
| 85 | R | 91.5 | Very high | 91.1 | Very high | 136 Ų | 136 | 36 Ų | 36 | 51% | 0.513 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 23.7 | 179.6 | -46.7 | 176.1 | -178.6 | -175.7 | -4.8 | 114.1 | A81 A82 A83 E87 N117 A119 | A81-R85 PolarHBondContact O-N 3.12Å; A82-R85 PolarHBondContact O-N 3.08Å; A83-R85 VanDerWaalsContact C-N 3.26Å; A83-R85 PolarHBondContact O-N 2.97Å; R85-E87 PolarHBondContact O-N 3.11Å; R85-N117 PolarHBondContact NE-O 3.12Å; R85-N117 PolarHBondContact NH2-O 3.09Å; R85-A119 HydrophobicContact CB-CB 4.16Å; R85-A119 HydrophobicContact CG-CB 4Å |
| 86 | N | 89.8 | Confident | 91 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | trans | -96.4 | 90.7 | -173.7 | -73.5 | -50.1 | 0 | 0 | 0 | 111.9 | G52 A81 S84 K88 V89 L90 | G52-N86 WeakPolarHBondContact CA-ND2 3.41Å; A81-N86 PolarHBondContact O-N 3.34Å; S84-N86 VanDerWaalsContact CB-ND2 3.35Å; S84-N86 WeakPolarHBondContact CB-ND2 3.14Å; S84-N86 PolarHBondContact O-N 2.79Å; S84-N86 PolarHBondContact O-ND2 2.96Å; S84-N86 PolarHBondContact OG-ND2 3.47Å; N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 3.37Å; N86-V89 HydrophobicContact CB-CB 4.11Å; N86-V89 HydrophobicContact CB-CG2 4.27Å; N86-V89 PolarHBondContact O-N 2.92Å; N86-L90 WeakPolarHBondContact O-CB 3.29Å; N86-L90 PolarHBondContact O-N 3.33Å | ||
| 87 | E | 90.9 | Very high | 90.8 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.8 | -41.7 | 179.6 | -175 | -162.7 | 162.9 | 0 | 0 | 113.3 | R85 L90 G91 K121 | R85-E87 PolarHBondContact O-N 3.11Å; E87-L90 WeakPolarHBondContact O-CB 3.38Å; E87-L90 PolarHBondContact O-N 3.33Å; E87-G91 PolarHBondContact O-N 3.37Å; E87-K121 HydrophobicContact CB-CB 4.19Å; E87-K121 HydrophobicContact CG-CB 4.11Å; E87-K121 WeakPolarHBondContact OE2-CB 3.5Å; E87-K121 WeakPolarHBondContact OE2-CD 3.32Å |
| 88 | K | 89.6 | Confident | 90.7 | Very high | 166 Ų | 166 | 44 Ų | 44 | 72% | 0.722 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.5 | -43.1 | -176.5 | -61.7 | -176.1 | -178.6 | 179.4 | 0 | 112.4 | V54 N86 L90 G91 L92 | V54-K88 HydrophobicContact CG2-CB 3.74Å; N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 3.37Å; K88-L90 VanDerWaalsContact C-N 3.34Å; K88-G91 PolarHBondContact O-N 3.37Å; K88-L92 WeakPolarHBondContact O-CG 3.19Å; K88-L92 PolarHBondContact O-N 3.01Å |
| 89 | V | 90.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 174.1 | 166.8 | 0 | 0 | 0 | 0 | 109.9 | A49 G52 V54 L57 A81 N86 L92 L93 | A49-V89 HydrophobicContact CB-CG1 4.22Å; G52-V89 WeakPolarHBondContact O-CG2 3.5Å; V54-V89 HydrophobicContact CG2-CG2 3.75Å; L57-V89 HydrophobicContact CD1-CG1 4.37Å; L57-V89 HydrophobicContact CD2-CB 4.07Å; L57-V89 HydrophobicContact CD2-CG1 3.47Å; L57-V89 VanDerWaalsContact CD2-CG1 3.47Å; L57-V89 HydrophobicContact CD2-CG2 4.26Å; A81-V89 HydrophobicContact CB-CG1 3.74Å; N86-V89 HydrophobicContact CB-CB 4.11Å; N86-V89 HydrophobicContact CB-CG2 4.27Å; N86-V89 PolarHBondContact O-N 2.92Å; V89-L92 PolarHBondContact O-N 3.47Å; V89-L93 HydrophobicContact CG1-CD1 4.15Å; V89-L93 WeakPolarHBondContact O-CG 3.34Å; V89-L93 PolarHBondContact O-N 2.85Å |
| 90 | L | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 176.1 | -175 | 131.4 | 0 | 0 | 0 | 111.7 | L78 A81 A82 N86 E87 K88 L92 L93 L94 C122 A125 L126 | L78-L90 HydrophobicContact CD1-CD1 3.92Å; L78-L90 HydrophobicContact CD1-CG 3.77Å; A81-L90 HydrophobicContact CB-CB 4.26Å; A82-L90 HydrophobicContact CB-CD1 4.24Å; N86-L90 WeakPolarHBondContact O-CB 3.29Å; N86-L90 PolarHBondContact O-N 3.33Å; E87-L90 WeakPolarHBondContact O-CB 3.38Å; E87-L90 PolarHBondContact O-N 3.33Å; K88-L90 VanDerWaalsContact C-N 3.34Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L90-L92 PolarHBondContact O-N 2.76Å; L90-L93 PolarHBondContact O-N 3.18Å; L90-L94 HydrophobicContact CD2-CD1 3.63Å; L90-L94 HydrophobicContact CD2-CG 4.47Å; L90-L94 HydrophobicContact CG-CD1 4.33Å; L90-L94 VanDerWaalsContact O-CG 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 2.85Å; L90-C122 HydrophobicContact CD1-CB 3.94Å; L90-A125 HydrophobicContact CD2-CB 3.77Å; L90-L126 HydrophobicContact CD1-CD1 4.07Å; L90-L126 HydrophobicContact CD1-CD2 4.37Å; L90-L126 HydrophobicContact CD1-CG 4.21Å; L90-L126 HydrophobicContact CD2-CD2 4.28Å; L90-L126 HydrophobicContact CD2-CG 4.13Å |
| 91 | G | 89.7 | Confident | 90.3 | Very high | 34 Ų | 34 | 49.2 Ų | 49.2 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E87 K88 L94 A95 | E87-G91 PolarHBondContact O-N 3.37Å; K88-G91 PolarHBondContact O-N 3.37Å; G91-L94 PolarHBondContact O-N 2.82Å; G91-A95 WeakPolarHBondContact O-CB 3.44Å; G91-A95 PolarHBondContact O-N 3.49Å |
| 92 | L | 90.9 | Very high | 90.3 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 174.9 | -73.1 | 167.2 | 0 | 0 | 0 | 112.6 | V54 L57 K88 V89 L90 L94 A95 H96 | V54-L92 HydrophobicContact CB-CD1 4.13Å; V54-L92 HydrophobicContact CG1-CD1 3.37Å; V54-L92 HydrophobicContact CG2-CD1 4.07Å; L57-L92 HydrophobicContact CD2-CB 4.33Å; K88-L92 WeakPolarHBondContact O-CG 3.19Å; K88-L92 PolarHBondContact O-N 3.01Å; V89-L92 PolarHBondContact O-N 3.47Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L90-L92 PolarHBondContact O-N 2.76Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-A95 PolarHBondContact O-N 2.94Å; L92-H96 PolarHBondContact O-CD2 2.9Å; L92-H96 PolarHBondContact O-N 2.73Å |
| 93 | L | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 174.3 | -69.4 | 169 | 0 | 0 | 0 | 111 | L45 A49 L57 L61 V67 P77 L78 A81 V89 L90 A95 H96 A98 | L45-L93 HydrophobicContact CD2-CD2 4.4Å; A49-L93 HydrophobicContact CB-CD1 4.33Å; L57-L93 HydrophobicContact CD2-CD2 4.21Å; L57-L93 HydrophobicContact CD2-CG 4.03Å; L61-L93 HydrophobicContact CD1-CD2 4.3Å; L61-L93 HydrophobicContact CD2-CD2 4.32Å; V67-L93 HydrophobicContact CG1-CD2 3.98Å; P77-L93 HydrophobicContact CB-CD1 4.23Å; P77-L93 HydrophobicContact CB-CD2 4.32Å; L78-L93 HydrophobicContact CD1-CB 4.1Å; L78-L93 HydrophobicContact CD1-CD1 4.35Å; A81-L93 HydrophobicContact CB-CD1 3.96Å; V89-L93 HydrophobicContact CG1-CD1 4.15Å; V89-L93 WeakPolarHBondContact O-CG 3.34Å; V89-L93 PolarHBondContact O-N 2.85Å; L90-L93 PolarHBondContact O-N 3.18Å; L93-A95 PolarHBondContact O-N 3.26Å; L93-H96 CarbonylContact O-C 3.56Å; L93-H96 PolarHBondContact O-N 3.05Å; L93-A98 HydrophobicContact CB-CB 3.98Å; L93-A98 WeakPolarHBondContact O-CB 3.44Å; L93-A98 PolarHBondContact O-N 2.94Å |
| 94 | L | 90.9 | Very high | 90.3 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 176 | -66.7 | 171.9 | 0 | 0 | 0 | 112.5 | L78 L90 G91 L92 H96 S97 V100 L126 L129 | L78-L94 HydrophobicContact CD1-CD2 4.25Å; L78-L94 HydrophobicContact CD1-CG 4.36Å; L78-L94 HydrophobicContact CD2-CD2 4.17Å; L90-L94 HydrophobicContact CD2-CD1 3.63Å; L90-L94 HydrophobicContact CD2-CG 4.47Å; L90-L94 HydrophobicContact CG-CD1 4.33Å; L90-L94 VanDerWaalsContact O-CG 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 2.85Å; G91-L94 PolarHBondContact O-N 2.82Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L94-H96 PolarHBondContact O-N 2.98Å; L94-S97 PolarHBondContact O-N 3.38Å; L94-S97 VanDerWaalsContact O-N 3.14Å; L94-V100 HydrophobicContact CD2-CG1 3.26Å; L94-L126 HydrophobicContact CD1-CD2 4.34Å; L94-L126 HydrophobicContact CD2-CD2 4.17Å; L94-L129 HydrophobicContact CD1-CD1 3.78Å; L94-L129 HydrophobicContact CD2-CD1 4.01Å; L94-L129 HydrophobicContact CG-CD1 4.34Å |
| 95 | A | 89.7 | Confident | 90.5 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63 | -26 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G91 L92 L93 | G91-A95 WeakPolarHBondContact O-CB 3.44Å; G91-A95 PolarHBondContact O-N 3.49Å; L92-A95 PolarHBondContact O-N 2.94Å; L93-A95 PolarHBondContact O-N 3.26Å |
| 96 | H | 90 | Very high | 90.4 | Very high | 83 Ų | 83 | 55.4 Ų | 55.4 | 38% | 0.384 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 30.4 | 175.4 | -76 | -88.6 | 0 | 0 | 0 | 113.1 | L61 V67 L92 L93 L94 A98 | L61-H96 HydrophobicContact CD1-CB 4.46Å; L61-H96 HydrophobicContact CD2-CB 4.43Å; V67-H96 HydrophobicContact CG2-CB 4.22Å; L92-H96 PolarHBondContact O-CD2 2.9Å; L92-H96 PolarHBondContact O-N 2.73Å; L93-H96 CarbonylContact O-C 3.56Å; L93-H96 PolarHBondContact O-N 3.05Å; L94-H96 PolarHBondContact O-N 2.98Å; H96-A98 PolarHBondContact O-N 3.5Å |
| 97 | S | 88 | Confident | 90.4 | Very high | 99 Ų | 99 | 59 Ų | 59 | 69% | 0.692 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 37.6 | 173.7 | -53.8 | 0 | 0 | 0 | 0 | 114.7 | N68 L94 | N68-S97 PolarHBondContact ND2-O 3.22Å; L94-S97 PolarHBondContact O-N 3.38Å; L94-S97 VanDerWaalsContact O-N 3.14Å |
| 98 | A | 90.7 | Very high | 90.5 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | trans | -62.1 | 135.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V67 N68 L78 L93 H96 V100 | V67-A98 HydrophobicContact CG1-CB 3.62Å; N68-A98 WeakPolarHBondContact OD1-CA 3.44Å; L78-A98 HydrophobicContact CB-CB 4.47Å; L78-A98 HydrophobicContact CD1-CB 4.42Å; L78-A98 HydrophobicContact CD2-CB 4.02Å; L93-A98 HydrophobicContact CB-CB 3.98Å; L93-A98 WeakPolarHBondContact O-CB 3.44Å; L93-A98 PolarHBondContact O-N 2.94Å; H96-A98 PolarHBondContact O-N 3.5Å; A98-V100 PolarHBondContact O-N 3.35Å | ||
| 99 | D | 89.4 | Confident | 90.7 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | trans | -75.5 | 108 | 178.8 | 179.4 | 13.2 | 0 | 0 | 0 | 111 | N68 N101 A102 | N68-D99 PolarHBondContact OD1-N 2.73Å; D99-N101 VanDerWaalsContact C-N 3.26Å; D99-N101 PolarHBondContact O-N 3.15Å; D99-N101 WeakPolarHBondContact OD1-CA 3.4Å; D99-N101 PolarHBondContact OD1-N 2.95Å; D99-A102 HydrophobicContact CB-CB 4.23Å; D99-A102 WeakPolarHBondContact O-CB 3.23Å; D99-A102 PolarHBondContact O-N 3.03Å; D99-A102 PolarHBondContact OD1-N 3.46Å; D99-A102 PolarHBondContact OD2-N 3.21Å | ||
| 100 | V | 89.8 | Confident | 90.8 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.6 | 176.7 | -65.2 | 0 | 0 | 0 | 0 | 113.6 | L78 L94 A98 P110 L126 L129 L130 | L78-V100 HydrophobicContact CD2-CG1 4.26Å; L94-V100 HydrophobicContact CD2-CG1 3.26Å; A98-V100 PolarHBondContact O-N 3.35Å; V100-P110 WeakPolarHBondContact O-CD 3.47Å; V100-L126 HydrophobicContact CG1-CD2 3.94Å; V100-L129 HydrophobicContact CG1-CB 4.25Å; V100-L129 HydrophobicContact CG1-CD1 4.49Å; V100-L130 HydrophobicContact CB-CD2 3.96Å; V100-L130 HydrophobicContact CG2-CD2 3.98Å; V100-L130 WeakPolarHBondContact O-CD2 3.5Å |
| 101 | N | 89.1 | Confident | 90.9 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 32% | 0.321 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 4.5 | -179.4 | -64.6 | -56.7 | 0 | 0 | 0 | 112.6 | D99 R103 L130 | D99-N101 VanDerWaalsContact C-N 3.26Å; D99-N101 PolarHBondContact O-N 3.15Å; D99-N101 WeakPolarHBondContact OD1-CA 3.4Å; D99-N101 PolarHBondContact OD1-N 2.95Å; N101-R103 PolarHBondContact O-N 3.19Å; N101-L130 WeakPolarHBondContact OD1-CD2 3.4Å |
| 102 | A | 90.3 | Very high | 91 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | trans | -54.8 | 133.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T76 H79 D99 P110 | T76-A102 HydrophobicContact CG2-CB 3.78Å; H79-A102 PolarHBondContact CE1-O 3Å; H79-A102 PolarHBondContact NE2-O 3.38Å; D99-A102 HydrophobicContact CB-CB 4.23Å; D99-A102 WeakPolarHBondContact O-CB 3.23Å; D99-A102 PolarHBondContact O-N 3.03Å; D99-A102 PolarHBondContact OD1-N 3.46Å; D99-A102 PolarHBondContact OD2-N 3.21Å; A102-P110 WeakPolarHBondContact O-CD 3.34Å | ||
| 103 | R | 92 | Very high | 91.1 | Very high | 109 Ų | 109 | 45.8 Ų | 45.8 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | trans | -110.2 | 134.1 | 179.5 | -71.1 | -176.7 | -175.5 | 174.1 | 1.8 | 111.4 | K70 N101 Q108 T109 | K70-R103 PolarHBondContact NZ-O 3.5Å; N101-R103 PolarHBondContact O-N 3.19Å; R103-Q108 WeakPolarHBondContact CA-O 3.22Å; R103-T109 HydrophobicContact CG-CG2 4.36Å | ||
| 104 | D | 92.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | trans | -79.3 | -175.5 | 170.3 | 82.3 | -7.5 | 0 | 0 | 0 | 112 | L75 L106 W107 Q108 | L75-D104 HydrophobicContact CD2-CB 3.74Å; L75-D104 HydrophobicContact CG-CB 4.32Å; D104-L106 PolarHBondContact O-N 3.15Å; D104-L106 VanDerWaalsContact OD1-CA 3.27Å; D104-L106 WeakPolarHBondContact OD1-CA 3.45Å; D104-L106 WeakPolarHBondContact OD1-CB 3.46Å; D104-L106 PolarHBondContact OD1-N 3.13Å; D104-W107 WeakPolarHBondContact O-CA 3.28Å; D104-W107 PolarHBondContact O-N 3.17Å; D104-W107 PolarHBondContact OD1-N 3.15Å; D104-Q108 PolarHBondContact N-O 3.42Å; D104-Q108 WeakPolarHBondContact OD1-CB 3.2Å; D104-Q108 PolarHBondContact OD1-N 2.84Å | ||
| 105 | K | 91.6 | Very high | 91.3 | Very high | 115 Ų | 115 | 44.2 Ų | 44.2 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21 | 179.2 | -168.1 | 175.1 | -177.9 | 178.9 | 0 | 113.7 | L73 | L73-K105 WeakPolarHBondContact O-CB 3.33Å; L73-K105 PolarHBondContact O-N 3.42Å |
| 106 | L | 89.8 | Confident | 91.4 | Very high | 91 Ų | 91 | 41.8 Ų | 41.8 | 48% | 0.476 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 8 | 173.4 | -61.5 | 179.5 | 0 | 0 | 0 | 112.3 | D104 Q108 R138 | D104-L106 PolarHBondContact O-N 3.15Å; D104-L106 VanDerWaalsContact OD1-CA 3.27Å; D104-L106 WeakPolarHBondContact OD1-CA 3.45Å; D104-L106 WeakPolarHBondContact OD1-CB 3.46Å; D104-L106 PolarHBondContact OD1-N 3.13Å; L106-Q108 HydrophobicContact CB-CG 4.04Å; L106-Q108 PolarHBondContact O-N 3.02Å; L106-R138 WeakPolarHBondContact O-CB 3.34Å; L106-R138 PolarHBondContact O-N 3.38Å |
| 107 | W | 90.7 | Very high | 91.3 | Very high | 129 Ų | 129 | 40.5 Ų | 40.5 | 49% | 0.489 | 21% | 0.206 | S | C | . | . | trans | 60.6 | 20.2 | -174.4 | -59.3 | 1.7 | 0 | 0 | 0 | 114.4 | D104 R138 | D104-W107 WeakPolarHBondContact O-CA 3.28Å; D104-W107 PolarHBondContact O-N 3.17Å; D104-W107 PolarHBondContact OD1-N 3.15Å; W107-R138 HydrophobicContact CB-CB 4.38Å; W107-R138 HydrophobicContact CD2-CB 4.49Å; W107-R138 HydrophobicContact CG-CB 4.31Å | ||
| 108 | Q | 92.9 | Very high | 91.4 | Very high | 29 Ų | 29 | 41.8 Ų | 41.8 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | trans | -75.3 | 141.6 | 173.5 | -63.3 | -175.9 | -11 | 0 | 0 | 109.6 | H79 R103 D104 L106 H112 D137 H146 | H79-Q108 PolarHBondContact NE2-O 3.39Å; R103-Q108 WeakPolarHBondContact CA-O 3.22Å; D104-Q108 PolarHBondContact N-O 3.42Å; D104-Q108 WeakPolarHBondContact OD1-CB 3.2Å; D104-Q108 PolarHBondContact OD1-N 2.84Å; L106-Q108 HydrophobicContact CB-CG 4.04Å; L106-Q108 PolarHBondContact O-N 3.02Å; Q108-H112 HydrophobicContact CB-CB 3.95Å; Q108-H112 HydrophobicContact CG-CB 4.29Å; Q108-D137 HydrophobicContact CG-CB 3.93Å; Q108-H146 PolarHBondContact NE2-CE1 2.87Å; Q108-H146 VanDerWaalsContact NE2-CE1 3.26Å | ||
| 109 | T | 93.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | trans | -95.9 | 165.8 | 170.9 | 68.5 | 0 | 0 | 0 | 0 | 110.1 | R103 L111 H112 V113 V135 | R103-T109 HydrophobicContact CG-CG2 4.36Å; T109-L111 PolarHBondContact O-N 2.91Å; T109-H112 PolarHBondContact N-ND1 3.15Å; T109-H112 VanDerWaalsContact N-ND1 3.11Å; T109-H112 WeakPolarHBondContact O-CB 3.43Å; T109-H112 PolarHBondContact O-N 3.35Å; T109-H112 PolarHBondContact OG1-ND1 3.13Å; T109-V113 PolarHBondContact O-N 2.84Å; T109-V135 HydrophobicContact CG2-CG1 4.1Å | ||
| 110 | P | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.9 | -28.9 | 174.3 | -26.2 | 34.9 | 0 | 0 | 0 | 113.3 | L78 H79 A82 V100 A102 V113 A114 L126 | L78-P110 HydrophobicContact CB-CG 4.37Å; L78-P110 HydrophobicContact CD2-CB 4.27Å; L78-P110 HydrophobicContact CD2-CG 3.85Å; L78-P110 HydrophobicContact CG-CB 4.06Å; L78-P110 HydrophobicContact CG-CG 3.97Å; H79-P110 WeakPolarHBondContact NE2-CD 3.43Å; A82-P110 HydrophobicContact CB-CB 4.46Å; A82-P110 WeakPolarHBondContact CB-O 3.4Å; V100-P110 WeakPolarHBondContact O-CD 3.47Å; A102-P110 WeakPolarHBondContact O-CD 3.34Å; P110-V113 PolarHBondContact O-N 3.09Å; P110-A114 WeakPolarHBondContact O-CB 3.27Å; P110-A114 PolarHBondContact O-N 3.19Å; P110-L126 HydrophobicContact CB-CD1 4.01Å |
| 111 | L | 93.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.5 | -39.7 | 174.1 | -175 | 68.2 | 0 | 0 | 0 | 112.7 | T109 V113 A114 A115 A123 L126 L130 L133 A143 L159 | T109-L111 PolarHBondContact O-N 2.91Å; L111-V113 VanDerWaalsContact C-N 3.3Å; L111-V113 PolarHBondContact O-N 3.14Å; L111-A114 PolarHBondContact O-N 3.27Å; L111-A115 VanDerWaalsContact O-CB 3.23Å; L111-A115 WeakPolarHBondContact O-CB 3.36Å; L111-A115 PolarHBondContact O-N 2.99Å; L111-A123 HydrophobicContact CD1-CB 3.85Å; L111-L126 HydrophobicContact CD1-CB 4.33Å; L111-L130 HydrophobicContact CB-CD1 3.83Å; L111-L130 HydrophobicContact CD1-CD1 4.42Å; L111-L130 HydrophobicContact CD2-CD1 3.48Å; L111-L130 VanDerWaalsContact CD2-CD1 3.48Å; L111-L130 HydrophobicContact CG-CD1 4.09Å; L111-L133 HydrophobicContact CD2-CD2 3.67Å; L111-A143 HydrophobicContact CD2-CB 3.75Å; L111-A143 HydrophobicContact CG-CB 3.75Å; L111-L159 HydrophobicContact CD1-CD2 4.18Å; L111-L159 HydrophobicContact CD2-CD2 4.26Å |
| 112 | H | 93.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 174.9 | -68.3 | 88 | 0 | 0 | 0 | 110.7 | Q108 T109 A115 A116 V135 R141 A143 H146 | Q108-H112 HydrophobicContact CB-CB 3.95Å; Q108-H112 HydrophobicContact CG-CB 4.29Å; T109-H112 PolarHBondContact N-ND1 3.15Å; T109-H112 VanDerWaalsContact N-ND1 3.11Å; T109-H112 WeakPolarHBondContact O-CB 3.43Å; T109-H112 PolarHBondContact O-N 3.35Å; T109-H112 PolarHBondContact OG1-ND1 3.13Å; H112-A115 PolarHBondContact O-N 2.89Å; H112-A116 PolarHBondContact O-N 3.19Å; H112-V135 PolarHBondContact CE1-O 3.23Å; H112-V135 PolarHBondContact NE2-O 3.48Å; H112-R141 PolarHBondContact NE2-O 3.2Å; H112-A143 PolarHBondContact CD2-N 3.05Å; H112-A143 PolarHBondContact NE2-N 2.86Å; H112-H146 AromaticContact CD2-CD2 3.63Å |
| 113 | V | 92 | Very high | 91.7 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 9% | 0.085 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | A82 A83 T109 P110 L111 A115 A116 N117 | A82-V113 HydrophobicContact CB-CB 4.45Å; A82-V113 HydrophobicContact CB-CG1 4.38Å; A83-V113 HydrophobicContact CB-CG1 3.72Å; T109-V113 PolarHBondContact O-N 2.84Å; P110-V113 PolarHBondContact O-N 3.09Å; L111-V113 VanDerWaalsContact C-N 3.3Å; L111-V113 PolarHBondContact O-N 3.14Å; V113-A115 VanDerWaalsContact C-N 3.3Å; V113-A115 PolarHBondContact O-N 3.41Å; V113-A116 PolarHBondContact O-N 3.44Å; V113-N117 WeakPolarHBondContact O-CB 3.39Å; V113-N117 PolarHBondContact O-N 3.42Å; V113-N117 VanDerWaalsContact O-N 3.1Å; V113-N117 PolarHBondContact O-ND2 2.96Å |
| 114 | A | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A82 P110 L111 N117 R118 A119 C122 A123 L126 | A82-A114 HydrophobicContact CB-CB 4.1Å; P110-A114 WeakPolarHBondContact O-CB 3.27Å; P110-A114 PolarHBondContact O-N 3.19Å; L111-A114 PolarHBondContact O-N 3.27Å; A114-N117 PolarHBondContact O-N 3.05Å; A114-R118 PolarHBondContact O-N 2.87Å; A114-A119 HydrophobicContact CB-CB 4.06Å; A114-A119 PolarHBondContact O-N 3.46Å; A114-C122 HydrophobicContact CB-CB 4.33Å; A114-A123 HydrophobicContact CB-CB 4.28Å; A114-L126 HydrophobicContact CB-CD1 4.45Å |
| 115 | A | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L111 H112 V113 N117 A143 H146 A147 H152 T155 L159 | L111-A115 VanDerWaalsContact O-CB 3.23Å; L111-A115 WeakPolarHBondContact O-CB 3.36Å; L111-A115 PolarHBondContact O-N 2.99Å; H112-A115 PolarHBondContact O-N 2.89Å; V113-A115 VanDerWaalsContact C-N 3.3Å; V113-A115 PolarHBondContact O-N 3.41Å; A115-N117 VanDerWaalsContact C-N 3.34Å; A115-N117 PolarHBondContact O-N 2.98Å; A115-A143 HydrophobicContact CB-CB 4.11Å; A115-A143 VanDerWaalsContact CB-O 3.23Å; A115-A143 WeakPolarHBondContact CB-O 3.45Å; A115-H146 HydrophobicContact CB-CB 4.25Å; A115-A147 HydrophobicContact CB-CB 4.13Å; A115-H152 PolarHBondContact O-CD2 2.98Å; A115-T155 HydrophobicContact CB-CG2 4.46Å; A115-L159 HydrophobicContact CB-CD1 4.4Å |
| 116 | A | 91.5 | Very high | 91.4 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 22% | 0.223 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.9 | -34.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H112 V113 H146 S150 H152 | H112-A116 PolarHBondContact O-N 3.19Å; V113-A116 PolarHBondContact O-N 3.44Å; A116-H146 HydrophobicContact CB-CB 4.27Å; A116-S150 PolarHBondContact O-OG 3.39Å; A116-H152 PolarHBondContact O-CD2 3.35Å; A116-H152 PolarHBondContact O-NE2 2.99Å |
| 117 | N | 89.3 | Confident | 91.3 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 16.4 | -171.8 | -73.6 | -72.7 | 0 | 0 | 0 | 115 | R85 V113 A114 A115 A119 | R85-N117 PolarHBondContact NE-O 3.12Å; R85-N117 PolarHBondContact NH2-O 3.09Å; V113-N117 WeakPolarHBondContact O-CB 3.39Å; V113-N117 PolarHBondContact O-N 3.42Å; V113-N117 VanDerWaalsContact O-N 3.1Å; V113-N117 PolarHBondContact O-ND2 2.96Å; A114-N117 PolarHBondContact O-N 3.05Å; A115-N117 VanDerWaalsContact C-N 3.34Å; A115-N117 PolarHBondContact O-N 2.98Å; N117-A119 PolarHBondContact O-N 3.31Å; N117-A119 VanDerWaalsContact O-N 3.16Å |
| 118 | R | 89.3 | Confident | 91 | Very high | 126 Ų | 126 | 32 Ų | 32 | 48% | 0.475 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 26.5 | -176.3 | -156.1 | -177.3 | 168.7 | 177.8 | -1.1 | 113.6 | A114 T120 H152 | A114-R118 PolarHBondContact O-N 2.87Å; R118-T120 VanDerWaalsContact C-N 3.25Å; R118-T120 PolarHBondContact O-N 3.45Å; R118-H152 HydrophobicContact CG-CB 4.33Å; R118-H152 PolarHBondContact N-CD2 3.47Å; R118-H152 PolarHBondContact N-NE2 3.06Å |
| 119 | A | 91.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | trans | -85.8 | 64.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A82 R85 A114 N117 K121 C122 A123 | A82-A119 WeakPolarHBondContact O-CB 3.37Å; R85-A119 HydrophobicContact CB-CB 4.16Å; R85-A119 HydrophobicContact CG-CB 4Å; A114-A119 HydrophobicContact CB-CB 4.06Å; A114-A119 PolarHBondContact O-N 3.46Å; N117-A119 PolarHBondContact O-N 3.31Å; N117-A119 VanDerWaalsContact O-N 3.16Å; A119-K121 PolarHBondContact O-N 3.38Å; A119-C122 HydrophobicContact CB-CB 3.8Å; A119-C122 WeakPolarHBondContact O-CB 3.37Å; A119-C122 PolarHBondContact O-N 2.92Å; A119-C122 VanDerWaalsContact O-N 3.16Å; A119-A123 PolarHBondContact O-N 3.04Å | ||
| 120 | T | 91.8 | Very high | 90.2 | Very high | 35 Ų | 35 | 36 Ų | 36 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.3 | -47.3 | -173.4 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | R118 C122 A123 E124 E154 T155 L158 | R118-T120 VanDerWaalsContact C-N 3.25Å; R118-T120 PolarHBondContact O-N 3.45Å; T120-C122 PolarHBondContact O-N 2.94Å; T120-A123 WeakPolarHBondContact O-CB 3.32Å; T120-A123 PolarHBondContact O-N 3.03Å; T120-E124 PolarHBondContact O-N 3.11Å; T120-E154 HydrophobicContact CG2-CB 3.92Å; T120-T155 WeakPolarHBondContact CG2-OG1 3.32Å; T120-L158 VanDerWaalsContact O-CD2 3.25Å; T120-L158 WeakPolarHBondContact O-CD2 3.47Å |
| 121 | K | 91.4 | Very high | 89.6 | Confident | 129 Ų | 129 | 41.2 Ų | 41.2 | 56% | 0.561 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -66.3 | -36.9 | 178.8 | -57.8 | -169.3 | -177.6 | -176.4 | 0 | 113 | E87 A119 E124 A125 | E87-K121 HydrophobicContact CB-CB 4.19Å; E87-K121 HydrophobicContact CG-CB 4.11Å; E87-K121 WeakPolarHBondContact OE2-CB 3.5Å; E87-K121 WeakPolarHBondContact OE2-CD 3.32Å; A119-K121 PolarHBondContact O-N 3.38Å; K121-E124 PolarHBondContact O-N 3.44Å; K121-A125 PolarHBondContact O-N 3.23Å |
| 122 | C | 90.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 172.8 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | L90 A114 A119 T120 E124 A125 L126 | L90-C122 HydrophobicContact CD1-CB 3.94Å; A114-C122 HydrophobicContact CB-CB 4.33Å; A119-C122 HydrophobicContact CB-CB 3.8Å; A119-C122 WeakPolarHBondContact O-CB 3.37Å; A119-C122 PolarHBondContact O-N 2.92Å; A119-C122 VanDerWaalsContact O-N 3.16Å; T120-C122 PolarHBondContact O-N 2.94Å; C122-E124 VanDerWaalsContact C-N 3.31Å; C122-E124 PolarHBondContact O-N 2.96Å; C122-A125 PolarHBondContact O-N 3.5Å; C122-L126 WeakPolarHBondContact O-CB 3.24Å; C122-L126 VanDerWaalsContact O-CG 3.24Å; C122-L126 WeakPolarHBondContact O-CG 3.44Å; C122-L126 PolarHBondContact O-N 3.19Å |
| 123 | A | 91.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -36.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L111 A114 A119 T120 L126 A127 L158 | L111-A123 HydrophobicContact CD1-CB 3.85Å; A114-A123 HydrophobicContact CB-CB 4.28Å; A119-A123 PolarHBondContact O-N 3.04Å; T120-A123 WeakPolarHBondContact O-CB 3.32Å; T120-A123 PolarHBondContact O-N 3.03Å; A123-L126 PolarHBondContact O-N 2.86Å; A123-A127 VanDerWaalsContact O-CB 3.24Å; A123-A127 WeakPolarHBondContact O-CB 3.32Å; A123-A127 PolarHBondContact O-N 3.42Å; A123-L158 HydrophobicContact CB-CD2 4.19Å |
| 124 | E | 91 | Very high | 88.6 | Confident | 102 Ų | 102 | 46.6 Ų | 46.6 | 48% | 0.477 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 175.4 | -173.8 | 170 | -161 | 0 | 0 | 112.2 | T120 K121 C122 P128 L158 | T120-E124 PolarHBondContact O-N 3.11Å; K121-E124 PolarHBondContact O-N 3.44Å; C122-E124 VanDerWaalsContact C-N 3.31Å; C122-E124 PolarHBondContact O-N 2.96Å; E124-P128 WeakPolarHBondContact O-CD 3.47Å; E124-L158 HydrophobicContact CB-CD1 4.32Å; E124-L158 HydrophobicContact CB-CD2 3.88Å; E124-L158 HydrophobicContact CG-CD1 4.29Å |
| 125 | A | 89.1 | Confident | 88.4 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 26% | 0.256 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.4 | -34.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L90 K121 C122 | L90-A125 HydrophobicContact CD2-CB 3.77Å; K121-A125 PolarHBondContact O-N 3.23Å; C122-A125 PolarHBondContact O-N 3.5Å |
| 126 | L | 89.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -79.4 | -37.1 | 179.6 | -71.3 | 171.5 | 0 | 0 | 0 | 113.3 | L78 L90 L94 V100 P110 L111 A114 C122 A123 P128 L129 L130 | L78-L126 HydrophobicContact CD2-CD2 4.39Å; L90-L126 HydrophobicContact CD1-CD1 4.07Å; L90-L126 HydrophobicContact CD1-CD2 4.37Å; L90-L126 HydrophobicContact CD1-CG 4.21Å; L90-L126 HydrophobicContact CD2-CD2 4.28Å; L90-L126 HydrophobicContact CD2-CG 4.13Å; L94-L126 HydrophobicContact CD1-CD2 4.34Å; L94-L126 HydrophobicContact CD2-CD2 4.17Å; V100-L126 HydrophobicContact CG1-CD2 3.94Å; P110-L126 HydrophobicContact CB-CD1 4.01Å; L111-L126 HydrophobicContact CD1-CB 4.33Å; A114-L126 HydrophobicContact CB-CD1 4.45Å; C122-L126 WeakPolarHBondContact O-CB 3.24Å; C122-L126 VanDerWaalsContact O-CG 3.24Å; C122-L126 WeakPolarHBondContact O-CG 3.44Å; C122-L126 PolarHBondContact O-N 3.19Å; A123-L126 PolarHBondContact O-N 2.86Å; L126-P128 VanDerWaalsContact C-CD 3.48Å; L126-L129 PolarHBondContact O-N 3.06Å; L126-L130 HydrophobicContact CB-CD1 4.45Å; L126-L130 WeakPolarHBondContact O-CG 3.24Å; L126-L130 PolarHBondContact O-N 3.41Å |
| 127 | A | 86.4 | Confident | 88.4 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -52 | -45.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A123 L129 L133 K162 | A123-A127 VanDerWaalsContact O-CB 3.24Å; A123-A127 WeakPolarHBondContact O-CB 3.32Å; A123-A127 PolarHBondContact O-N 3.42Å; A127-L129 VanDerWaalsContact C-N 3.28Å; A127-L129 PolarHBondContact O-N 3.46Å; A127-L133 HydrophobicContact CB-CD2 4.06Å; A127-K162 HydrophobicContact CB-CB 4.32Å; A127-K162 HydrophobicContact CB-CG 4.13Å |
| 128 | P | 85.4 | Confident | 88.5 | Confident | 96 Ų | 96 | 53 Ų | 53 | 62% | 0.623 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -74.2 | -16.1 | -179.1 | 29.3 | -35.4 | 0 | 0 | 0 | 113.9 | E124 L126 | E124-P128 WeakPolarHBondContact O-CD 3.47Å; L126-P128 VanDerWaalsContact C-CD 3.48Å |
| 129 | L | 85.6 | Confident | 88.4 | Confident | 96 Ų | 96 | 49 Ų | 49 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -93.4 | -8.4 | -176.6 | -60.3 | 176 | 0 | 0 | 0 | 112.9 | L94 V100 L126 A127 | L94-L129 HydrophobicContact CD1-CD1 3.78Å; L94-L129 HydrophobicContact CD2-CD1 4.01Å; L94-L129 HydrophobicContact CG-CD1 4.34Å; V100-L129 HydrophobicContact CG1-CB 4.25Å; V100-L129 HydrophobicContact CG1-CD1 4.49Å; L126-L129 PolarHBondContact O-N 3.06Å; A127-L129 VanDerWaalsContact C-N 3.28Å; A127-L129 PolarHBondContact O-N 3.46Å |
| 130 | L | 83.9 | Confident | 88.4 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | trans | -89.1 | 142.4 | -177.8 | -70.2 | 164.5 | 0 | 0 | 0 | 111.4 | V100 N101 L111 L126 S132 L133 | V100-L130 HydrophobicContact CB-CD2 3.96Å; V100-L130 HydrophobicContact CG2-CD2 3.98Å; V100-L130 WeakPolarHBondContact O-CD2 3.5Å; N101-L130 WeakPolarHBondContact OD1-CD2 3.4Å; L111-L130 HydrophobicContact CB-CD1 3.83Å; L111-L130 HydrophobicContact CD1-CD1 4.42Å; L111-L130 HydrophobicContact CD2-CD1 3.48Å; L111-L130 VanDerWaalsContact CD2-CD1 3.48Å; L111-L130 HydrophobicContact CG-CD1 4.09Å; L126-L130 HydrophobicContact CB-CD1 4.45Å; L126-L130 WeakPolarHBondContact O-CG 3.24Å; L126-L130 PolarHBondContact O-N 3.41Å; L130-S132 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 2.94Å; L130-L133 HydrophobicContact CB-CD2 4.43Å; L130-L133 HydrophobicContact CD1-CD2 3.99Å | ||
| 131 | S | 79.4 | Confident | 88.4 | Confident | 108 Ų | 108 | 50.6 Ų | 50.6 | 76% | 0.755 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -69.3 | -29.6 | 175 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 132 | S | 85.1 | Confident | 88.5 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -155.1 | 139.2 | 173.8 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | L130 N134 V135 | L130-S132 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 2.94Å; S132-N134 VanDerWaalsContact C-N 3.3Å; S132-N134 PolarHBondContact OG-N 3.47Å; S132-V135 WeakPolarHBondContact O-CG2 3.34Å | ||
| 133 | L | 85.7 | Confident | 88.6 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -10.8 | 173 | -60.6 | 177.1 | 0 | 0 | 0 | 112.7 | L111 A127 L130 K162 A164 | L111-L133 HydrophobicContact CD2-CD2 3.67Å; A127-L133 HydrophobicContact CB-CD2 4.06Å; L130-L133 HydrophobicContact CB-CD2 4.43Å; L130-L133 HydrophobicContact CD1-CD2 3.99Å; L133-K162 HydrophobicContact CD1-CB 3.8Å; L133-K162 VanDerWaalsContact CD1-O 3.23Å; L133-K162 WeakPolarHBondContact CD1-O 3.3Å; L133-A164 HydrophobicContact CB-CB 4.44Å |
| 134 | N | 87.4 | Confident | 88.7 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 32% | 0.316 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 17.9 | -175 | -58.9 | -38 | 0 | 0 | 0 | 112.8 | S132 A136 S165 V168 | S132-N134 VanDerWaalsContact C-N 3.3Å; S132-N134 PolarHBondContact OG-N 3.47Å; N134-A136 PolarHBondContact O-N 2.86Å; N134-S165 PolarHBondContact OD1-N 2.94Å; N134-V168 HydrophobicContact CB-CG2 4.32Å |
| 135 | V | 89.6 | Confident | 88.8 | Confident | 26 Ų | 26 | 39.6 Ų | 39.6 | 16% | 0.158 | 23% | 0.232 | C | C | . | . | trans | -59.6 | 134.4 | 173.6 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | T109 H112 S132 S142 | T109-V135 HydrophobicContact CG2-CG1 4.1Å; H112-V135 PolarHBondContact CE1-O 3.23Å; H112-V135 PolarHBondContact NE2-O 3.48Å; S132-V135 WeakPolarHBondContact O-CG2 3.34Å; V135-S142 WeakPolarHBondContact O-CA 3.41Å | ||
| 136 | A | 91.6 | Very high | 89 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | trans | -99.2 | 143.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N134 R141 | N134-A136 PolarHBondContact O-N 2.86Å; A136-R141 WeakPolarHBondContact CA-O 3.24Å | ||
| 137 | D | 92 | Very high | 89.2 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | trans | -75.2 | -177.9 | 168.2 | 77.2 | 7.6 | 0 | 0 | 0 | 111.9 | Q108 S139 G140 R141 H146 | Q108-D137 HydrophobicContact CG-CB 3.93Å; D137-S139 PolarHBondContact O-N 3.48Å; D137-S139 VanDerWaalsContact O-N 3.1Å; D137-S139 VanDerWaalsContact OD1-CA 3.29Å; D137-S139 WeakPolarHBondContact OD1-CA 3.34Å; D137-S139 WeakPolarHBondContact OD1-CB 3.46Å; D137-S139 PolarHBondContact OD1-N 3.37Å; D137-S139 PolarHBondContact OD1-OG 2.93Å; D137-S139 PolarHBondContact OD2-OG 3.41Å; D137-G140 PolarHBondContact O-N 3.14Å; D137-G140 PolarHBondContact OD1-N 3.47Å; D137-G140 VanDerWaalsContact OD1-N 3.09Å; D137-R141 PolarHBondContact N-O 3.25Å; D137-R141 PolarHBondContact OD1-N 2.94Å; D137-R141 IonicContact OD2-CZ 3.94Å; D137-R141 IonicContact OD2-NE 3.95Å; D137-R141 PolarHBondContact OD2-NE 2.93Å; D137-R141 IonicContact OD2-NH2 3.76Å; D137-H146 IonicContact OD2-CE1 2.91Å; D137-H146 IonicContact OD2-NE2 2.74Å; D137-H146 PolarHBondContact OD2-NE2 2.8Å | ||
| 138 | R | 91.3 | Very high | 89.5 | Confident | 145 Ų | 145 | 38.2 Ų | 38.2 | 55% | 0.547 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23 | -179.4 | -177.5 | 174.2 | 179.3 | 171.3 | -0.8 | 113.1 | L106 W107 K171 | L106-R138 WeakPolarHBondContact O-CB 3.34Å; L106-R138 PolarHBondContact O-N 3.38Å; W107-R138 HydrophobicContact CB-CB 4.38Å; W107-R138 HydrophobicContact CD2-CB 4.49Å; W107-R138 HydrophobicContact CG-CB 4.31Å; R138-K171 WeakPolarHBondContact O-CE 3.35Å; R138-K171 PolarHBondContact O-NZ 2.88Å |
| 139 | S | 88.2 | Confident | 89.8 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 2.3 | 176.4 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | D137 R141 K171 | D137-S139 PolarHBondContact O-N 3.48Å; D137-S139 VanDerWaalsContact O-N 3.1Å; D137-S139 VanDerWaalsContact OD1-CA 3.29Å; D137-S139 WeakPolarHBondContact OD1-CA 3.34Å; D137-S139 WeakPolarHBondContact OD1-CB 3.46Å; D137-S139 PolarHBondContact OD1-N 3.37Å; D137-S139 PolarHBondContact OD1-OG 2.93Å; D137-S139 PolarHBondContact OD2-OG 3.41Å; S139-R141 PolarHBondContact OG-NE 3.09Å; S139-R141 PolarHBondContact OG-NH2 3.09Å; S139-R141 VanDerWaalsContact OG-NH2 3.17Å; S139-K171 WeakPolarHBondContact O-CB 3.42Å; S139-K171 WeakPolarHBondContact O-CG 3.4Å; S139-K171 PolarHBondContact O-N 3.34Å; S139-K171 VanDerWaalsContact O-N 3.07Å |
| 140 | G | 89.6 | Confident | 90 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 85.2 | 3.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | D137 | D137-G140 PolarHBondContact O-N 3.14Å; D137-G140 PolarHBondContact OD1-N 3.47Å; D137-G140 VanDerWaalsContact OD1-N 3.09Å |
| 141 | R | 92.7 | Very high | 90.3 | Very high | 61 Ų | 61 | 34.6 Ų | 34.6 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | trans | -84.9 | 135.6 | -175.7 | -65.5 | 179.9 | -65.9 | -165.4 | -9.3 | 110.7 | H112 A136 D137 S139 H145 D170 | H112-R141 PolarHBondContact NE2-O 3.2Å; A136-R141 WeakPolarHBondContact CA-O 3.24Å; D137-R141 PolarHBondContact N-O 3.25Å; D137-R141 PolarHBondContact OD1-N 2.94Å; D137-R141 IonicContact OD2-CZ 3.94Å; D137-R141 IonicContact OD2-NE 3.95Å; D137-R141 PolarHBondContact OD2-NE 2.93Å; D137-R141 IonicContact OD2-NH2 3.76Å; S139-R141 PolarHBondContact OG-NE 3.09Å; S139-R141 PolarHBondContact OG-NH2 3.09Å; S139-R141 VanDerWaalsContact OG-NH2 3.17Å; R141-H145 HydrophobicContact CB-CB 3.83Å; R141-H145 HydrophobicContact CG-CB 4.2Å; R141-D170 HydrophobicContact CG-CB 3.97Å | ||
| 142 | S | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -88.9 | 170.4 | 172.1 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | V135 L144 H145 H146 | V135-S142 WeakPolarHBondContact O-CA 3.41Å; S142-L144 PolarHBondContact O-N 3.39Å; S142-L144 VanDerWaalsContact O-N 3.15Å; S142-H145 PolarHBondContact N-ND1 3.27Å; S142-H145 VanDerWaalsContact O-CB 3.31Å; S142-H145 WeakPolarHBondContact O-CB 3.41Å; S142-H145 PolarHBondContact O-N 3.18Å; S142-H145 PolarHBondContact OG-ND1 3.02Å; S142-H146 PolarHBondContact O-CD2 3.08Å; S142-H146 PolarHBondContact O-N 3.42Å | ||
| 143 | A | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.3 | -33.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L111 H112 A115 H146 A147 L159 | L111-A143 HydrophobicContact CD2-CB 3.75Å; L111-A143 HydrophobicContact CG-CB 3.75Å; H112-A143 PolarHBondContact CD2-N 3.05Å; H112-A143 PolarHBondContact NE2-N 2.86Å; A115-A143 HydrophobicContact CB-CB 4.11Å; A115-A143 VanDerWaalsContact CB-O 3.23Å; A115-A143 WeakPolarHBondContact CB-O 3.45Å; A143-H146 PolarHBondContact O-N 3.07Å; A143-A147 PolarHBondContact O-N 3.14Å; A143-L159 HydrophobicContact CB-CD1 4.34Å |
| 144 | L | 93.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 174.5 | -175.8 | 62 | 0 | 0 | 0 | 111.9 | S142 H146 A147 V148 V156 L159 L160 S165 P176 | S142-L144 PolarHBondContact O-N 3.39Å; S142-L144 VanDerWaalsContact O-N 3.15Å; L144-H146 VanDerWaalsContact C-N 3.33Å; L144-H146 PolarHBondContact O-N 3.45Å; L144-A147 PolarHBondContact O-N 3.19Å; L144-V148 HydrophobicContact CD1-CG2 4.3Å; L144-V148 HydrophobicContact CG-CG2 4.47Å; L144-V148 WeakPolarHBondContact O-CB 3.19Å; L144-V148 VanDerWaalsContact O-CG2 3.27Å; L144-V148 WeakPolarHBondContact O-CG2 3.34Å; L144-V148 PolarHBondContact O-N 3.37Å; L144-V156 HydrophobicContact CD1-CG1 3.96Å; L144-L159 HydrophobicContact CD1-CB 4.47Å; L144-L160 HydrophobicContact CD1-CD2 4.2Å; L144-L160 HydrophobicContact CD1-CG 4.33Å; L144-L160 HydrophobicContact CD2-CD2 3.88Å; L144-S165 VanDerWaalsContact CD2-O 3.27Å; L144-S165 WeakPolarHBondContact CD2-O 3.19Å; L144-P176 HydrophobicContact CD2-CB 4.44Å; L144-P176 HydrophobicContact CD2-CG 3.89Å; L144-P176 HydrophobicContact CG-CB 4.27Å; L144-P176 HydrophobicContact CG-CG 4.01Å |
| 145 | H | 93.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 174.8 | -72.5 | 85.7 | 0 | 0 | 0 | 111.9 | R141 S142 V148 H149 V168 R174 P176 W179 | R141-H145 HydrophobicContact CB-CB 3.83Å; R141-H145 HydrophobicContact CG-CB 4.2Å; S142-H145 PolarHBondContact N-ND1 3.27Å; S142-H145 VanDerWaalsContact O-CB 3.31Å; S142-H145 WeakPolarHBondContact O-CB 3.41Å; S142-H145 PolarHBondContact O-N 3.18Å; S142-H145 PolarHBondContact OG-ND1 3.02Å; H145-V148 PolarHBondContact O-N 3.23Å; H145-H149 WeakPolarHBondContact O-CB 3.46Å; H145-H149 PolarHBondContact O-N 3.46Å; H145-V168 PolarHBondContact CE1-O 2.8Å; H145-V168 PolarHBondContact NE2-O 2.68Å; H145-R174 PolarHBondContact NE2-O 2.93Å; H145-R174 VanDerWaalsContact NE2-O 3.12Å; H145-P176 WeakPolarHBondContact NE2-CD 3.42Å; H145-W179 AromaticContact CD2-CD1 3.69Å; H145-W179 AromaticContact CD2-NE1 3.76Å |
| 146 | H | 92.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 6% | 0.06 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 177.9 | -76.4 | -89.2 | 0 | 0 | 0 | 111.9 | Q108 H112 A115 A116 D137 S142 A143 L144 V148 H149 S150 | Q108-H146 PolarHBondContact NE2-CE1 2.87Å; Q108-H146 VanDerWaalsContact NE2-CE1 3.26Å; H112-H146 AromaticContact CD2-CD2 3.63Å; A115-H146 HydrophobicContact CB-CB 4.25Å; A116-H146 HydrophobicContact CB-CB 4.27Å; D137-H146 IonicContact OD2-CE1 2.91Å; D137-H146 IonicContact OD2-NE2 2.74Å; D137-H146 PolarHBondContact OD2-NE2 2.8Å; S142-H146 PolarHBondContact O-CD2 3.08Å; S142-H146 PolarHBondContact O-N 3.42Å; A143-H146 PolarHBondContact O-N 3.07Å; L144-H146 VanDerWaalsContact C-N 3.33Å; L144-H146 PolarHBondContact O-N 3.45Å; H146-V148 PolarHBondContact O-N 3.12Å; H146-H149 PolarHBondContact O-N 3.44Å; H146-S150 PolarHBondContact O-N 2.94Å; H146-S150 PolarHBondContact O-OG 2.98Å |
| 147 | A | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A115 A143 L144 G151 H152 T155 V156 L159 | A115-A147 HydrophobicContact CB-CB 4.13Å; A143-A147 PolarHBondContact O-N 3.14Å; L144-A147 PolarHBondContact O-N 3.19Å; A147-G151 PolarHBondContact O-N 3.07Å; A147-H152 PolarHBondContact O-N 3.15Å; A147-T155 HydrophobicContact CB-CG2 4.01Å; A147-V156 HydrophobicContact CB-CG2 3.74Å; A147-L159 HydrophobicContact CB-CD1 4.03Å |
| 148 | V | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.3 | -43.1 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L144 H145 H146 S150 G151 V156 P176 W179 A180 H185 V188 L192 | L144-V148 HydrophobicContact CD1-CG2 4.3Å; L144-V148 HydrophobicContact CG-CG2 4.47Å; L144-V148 WeakPolarHBondContact O-CB 3.19Å; L144-V148 VanDerWaalsContact O-CG2 3.27Å; L144-V148 WeakPolarHBondContact O-CG2 3.34Å; L144-V148 PolarHBondContact O-N 3.37Å; H145-V148 PolarHBondContact O-N 3.23Å; H146-V148 PolarHBondContact O-N 3.12Å; V148-S150 PolarHBondContact O-N 3.11Å; V148-G151 PolarHBondContact O-N 2.96Å; V148-V156 HydrophobicContact CG2-CG1 4.36Å; V148-V156 HydrophobicContact CG2-CG2 3.73Å; V148-P176 HydrophobicContact CB-CB 4.34Å; V148-P176 VanDerWaalsContact CG1-O 3.28Å; V148-P176 WeakPolarHBondContact CG1-O 3.33Å; V148-P176 HydrophobicContact CG2-CB 3.93Å; V148-W179 HydrophobicContact CG1-CB 4.23Å; V148-A180 HydrophobicContact CG1-CB 3.68Å; V148-H185 PolarHBondContact O-CD2 2.82Å; V148-V188 HydrophobicContact CB-CG1 4.34Å; V148-V188 HydrophobicContact CG1-CG1 4.01Å; V148-V188 HydrophobicContact CG2-CG1 3.84Å; V148-L192 HydrophobicContact CG2-CD1 4.17Å |
| 149 | H | 92.3 | Very high | 92 | Very high | 74 Ų | 74 | 27.7 Ų | 27.7 | 34% | 0.343 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.5 | -40.7 | 176.4 | -177.1 | 85.8 | 0 | 0 | 0 | 111.3 | H145 H146 G151 W179 L183 H185 | H145-H149 WeakPolarHBondContact O-CB 3.46Å; H145-H149 PolarHBondContact O-N 3.46Å; H146-H149 PolarHBondContact O-N 3.44Å; H149-G151 VanDerWaalsContact C-N 3.35Å; H149-W179 AromaticContact CE1-CZ3 3.77Å; H149-W179 AromaticContact ND1-CE3 3.37Å; H149-W179 AromaticContact ND1-CZ3 3.39Å; H149-W179 WeakPolarHBondContact ND1-CZ3 3.35Å; H149-L183 HydrophobicContact CB-CD1 4.29Å; H149-L183 WeakPolarHBondContact O-CD1 3.35Å; H149-H185 PolarHBondContact O-NE2 3.22Å |
| 150 | S | 88.6 | Confident | 92.1 | Very high | 43 Ų | 43 | 26.5 Ų | 26.5 | 30% | 0.301 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -3.4 | 177.7 | -54.4 | 0 | 0 | 0 | 0 | 114.9 | A116 H146 V148 H152 | A116-S150 PolarHBondContact O-OG 3.39Å; H146-S150 PolarHBondContact O-N 2.94Å; H146-S150 PolarHBondContact O-OG 2.98Å; V148-S150 PolarHBondContact O-N 3.11Å; S150-H152 WeakPolarHBondContact CB-CD2 3.23Å; S150-H152 WeakPolarHBondContact CB-NE2 3.33Å; S150-H152 PolarHBondContact O-CE1 2.89Å; S150-H152 PolarHBondContact O-N 3.46Å |
| 151 | G | 90.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 17.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A147 V148 H149 L153 | A147-G151 PolarHBondContact O-N 3.07Å; V148-G151 PolarHBondContact O-N 2.96Å; H149-G151 VanDerWaalsContact C-N 3.35Å; G151-L153 PolarHBondContact O-N 3.22Å |
| 152 | H | 92.1 | Very high | 92 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 17% | 0.167 | 17% | 0.169 | C | C | . | . | trans | -83.8 | 83.2 | -173.3 | -61.4 | -40.2 | 0 | 0 | 0 | 112.1 | A115 A116 R118 A147 S150 E154 T155 V156 | A115-H152 PolarHBondContact O-CD2 2.98Å; A116-H152 PolarHBondContact O-CD2 3.35Å; A116-H152 PolarHBondContact O-NE2 2.99Å; R118-H152 HydrophobicContact CG-CB 4.33Å; R118-H152 PolarHBondContact N-CD2 3.47Å; R118-H152 PolarHBondContact N-NE2 3.06Å; A147-H152 PolarHBondContact O-N 3.15Å; S150-H152 WeakPolarHBondContact CB-CD2 3.23Å; S150-H152 WeakPolarHBondContact CB-NE2 3.33Å; S150-H152 PolarHBondContact O-CE1 2.89Å; S150-H152 PolarHBondContact O-N 3.46Å; H152-E154 VanDerWaalsContact C-N 3.33Å; H152-E154 PolarHBondContact O-N 3Å; H152-T155 WeakPolarHBondContact O-CB 3.32Å; H152-T155 PolarHBondContact O-N 3.43Å; H152-V156 WeakPolarHBondContact O-CG2 3.34Å; H152-V156 PolarHBondContact O-N 3.42Å | ||
| 153 | L | 93 | Very high | 91.6 | Very high | 72 Ų | 72 | 35.2 Ų | 35.2 | 38% | 0.377 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -50.5 | -45.7 | -176.1 | -174.5 | 68.7 | 0 | 0 | 0 | 114.3 | G151 T155 V156 N157 E187 V188 L191 | G151-L153 PolarHBondContact O-N 3.22Å; L153-T155 VanDerWaalsContact C-N 3.34Å; L153-T155 PolarHBondContact O-N 2.76Å; L153-V156 PolarHBondContact O-N 3.16Å; L153-N157 WeakPolarHBondContact O-CB 3.38Å; L153-N157 PolarHBondContact O-N 2.81Å; L153-E187 HydrophobicContact CD2-CB 4.45Å; L153-V188 HydrophobicContact CB-CG2 4.29Å; L153-V188 HydrophobicContact CD1-CG2 4.01Å; L153-L191 HydrophobicContact CD1-CB 3.94Å; L153-L191 HydrophobicContact CD1-CD2 3.55Å; L153-L191 HydrophobicContact CD1-CG 4.34Å; L153-L191 HydrophobicContact CG-CD2 4.42Å |
| 154 | E | 91.8 | Very high | 91.4 | Very high | 117 Ų | 117 | 35.7 Ų | 35.7 | 55% | 0.547 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 179.9 | -68.8 | 170.7 | -172.3 | 0 | 0 | 111.9 | T120 H152 N157 L158 | T120-E154 HydrophobicContact CG2-CB 3.92Å; H152-E154 VanDerWaalsContact C-N 3.33Å; H152-E154 PolarHBondContact O-N 3Å; E154-N157 PolarHBondContact O-N 3.45Å; E154-L158 WeakPolarHBondContact O-CB 3.49Å; E154-L158 PolarHBondContact O-N 3Å |
| 155 | T | 91.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.6 | -41.2 | 177.4 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | A115 T120 A147 H152 L153 L158 L159 | A115-T155 HydrophobicContact CB-CG2 4.46Å; T120-T155 WeakPolarHBondContact CG2-OG1 3.32Å; A147-T155 HydrophobicContact CB-CG2 4.01Å; H152-T155 WeakPolarHBondContact O-CB 3.32Å; H152-T155 PolarHBondContact O-N 3.43Å; L153-T155 VanDerWaalsContact C-N 3.34Å; L153-T155 PolarHBondContact O-N 2.76Å; T155-L158 PolarHBondContact O-N 3.44Å; T155-L159 HydrophobicContact CG2-CD1 4.19Å; T155-L159 HydrophobicContact CG2-CG 4.44Å; T155-L159 WeakPolarHBondContact O-CB 3.28Å; T155-L159 VanDerWaalsContact O-CG 3.31Å; T155-L159 WeakPolarHBondContact O-CG 3.3Å; T155-L159 PolarHBondContact O-N 3.46Å |
| 156 | V | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -49.2 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 110 | L144 A147 V148 H152 L153 L158 L159 L160 V188 L191 L192 | L144-V156 HydrophobicContact CD1-CG1 3.96Å; A147-V156 HydrophobicContact CB-CG2 3.74Å; V148-V156 HydrophobicContact CG2-CG1 4.36Å; V148-V156 HydrophobicContact CG2-CG2 3.73Å; H152-V156 WeakPolarHBondContact O-CG2 3.34Å; H152-V156 PolarHBondContact O-N 3.42Å; L153-V156 PolarHBondContact O-N 3.16Å; V156-L158 VanDerWaalsContact C-N 3.34Å; V156-L158 PolarHBondContact O-N 3.32Å; V156-L159 PolarHBondContact O-N 3.3Å; V156-L160 HydrophobicContact CG1-CD1 3.91Å; V156-L160 HydrophobicContact CG1-CG 4.46Å; V156-L160 VanDerWaalsContact O-CG 3.26Å; V156-L160 WeakPolarHBondContact O-CG 3.43Å; V156-L160 PolarHBondContact O-N 2.91Å; V156-V188 HydrophobicContact CG1-CG1 4.33Å; V156-V188 HydrophobicContact CG2-CG1 4.14Å; V156-L191 HydrophobicContact CB-CD2 4.45Å; V156-L191 HydrophobicContact CG1-CD2 3.99Å; V156-L192 HydrophobicContact CG1-CD2 4.24Å |
| 157 | N | 93.4 | Very high | 90.6 | Very high | 58 Ų | 58 | 43.2 Ų | 43.2 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60 | -43 | 178.8 | -169.7 | 51.6 | 0 | 0 | 0 | 112.2 | L153 E154 N161 L191 R195 | L153-N157 WeakPolarHBondContact O-CB 3.38Å; L153-N157 PolarHBondContact O-N 2.81Å; E154-N157 PolarHBondContact O-N 3.45Å; N157-N161 WeakPolarHBondContact O-CB 3.33Å; N157-N161 PolarHBondContact O-N 3.42Å; N157-N161 PolarHBondContact O-ND2 3.29Å; N157-N161 PolarHBondContact O-OD1 3.14Å; N157-L191 HydrophobicContact CB-CD2 3.9Å; N157-R195 PolarHBondContact OD1-NH2 2.98Å |
| 158 | L | 91.9 | Very high | 90.3 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 14% | 0.141 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 176 | 176.3 | 68.3 | 0 | 0 | 0 | 111.9 | T120 A123 E124 E154 T155 V156 L160 N161 K162 | T120-L158 VanDerWaalsContact O-CD2 3.25Å; T120-L158 WeakPolarHBondContact O-CD2 3.47Å; A123-L158 HydrophobicContact CB-CD2 4.19Å; E124-L158 HydrophobicContact CB-CD1 4.32Å; E124-L158 HydrophobicContact CB-CD2 3.88Å; E124-L158 HydrophobicContact CG-CD1 4.29Å; E154-L158 WeakPolarHBondContact O-CB 3.49Å; E154-L158 PolarHBondContact O-N 3Å; T155-L158 PolarHBondContact O-N 3.44Å; V156-L158 VanDerWaalsContact C-N 3.34Å; V156-L158 PolarHBondContact O-N 3.32Å; L158-L160 VanDerWaalsContact C-N 3.32Å; L158-L160 PolarHBondContact O-N 3.36Å; L158-N161 PolarHBondContact O-N 3.01Å; L158-K162 HydrophobicContact CD1-CG 4.34Å; L158-K162 WeakPolarHBondContact O-CG 3.39Å; L158-K162 PolarHBondContact O-N 3.46Å |
| 159 | L | 90.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | -179 | -72.3 | 174.1 | 0 | 0 | 0 | 111.6 | L111 A115 A143 L144 A147 T155 V156 K162 G163 A164 | L111-L159 HydrophobicContact CD1-CD2 4.18Å; L111-L159 HydrophobicContact CD2-CD2 4.26Å; A115-L159 HydrophobicContact CB-CD1 4.4Å; A143-L159 HydrophobicContact CB-CD1 4.34Å; L144-L159 HydrophobicContact CD1-CB 4.47Å; A147-L159 HydrophobicContact CB-CD1 4.03Å; T155-L159 HydrophobicContact CG2-CD1 4.19Å; T155-L159 HydrophobicContact CG2-CG 4.44Å; T155-L159 WeakPolarHBondContact O-CB 3.28Å; T155-L159 VanDerWaalsContact O-CG 3.31Å; T155-L159 WeakPolarHBondContact O-CG 3.3Å; T155-L159 PolarHBondContact O-N 3.46Å; V156-L159 PolarHBondContact O-N 3.3Å; L159-K162 PolarHBondContact O-N 3.45Å; L159-G163 PolarHBondContact O-N 3.3Å; L159-A164 HydrophobicContact CB-CB 4.03Å; L159-A164 WeakPolarHBondContact O-CB 3.42Å; L159-A164 PolarHBondContact O-N 3.47Å |
| 160 | L | 90.8 | Very high | 90.1 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 176.4 | -65.4 | 174.5 | 0 | 0 | 0 | 112.2 | L144 V156 L158 K162 G163 L166 L192 R195 | L144-L160 HydrophobicContact CD1-CD2 4.2Å; L144-L160 HydrophobicContact CD1-CG 4.33Å; L144-L160 HydrophobicContact CD2-CD2 3.88Å; V156-L160 HydrophobicContact CG1-CD1 3.91Å; V156-L160 HydrophobicContact CG1-CG 4.46Å; V156-L160 VanDerWaalsContact O-CG 3.26Å; V156-L160 WeakPolarHBondContact O-CG 3.43Å; V156-L160 PolarHBondContact O-N 2.91Å; L158-L160 VanDerWaalsContact C-N 3.32Å; L158-L160 PolarHBondContact O-N 3.36Å; L160-K162 PolarHBondContact O-N 3.01Å; L160-G163 PolarHBondContact O-N 3.1Å; L160-G163 VanDerWaalsContact O-N 3.13Å; L160-L166 HydrophobicContact CD1-CD2 4.04Å; L160-L166 HydrophobicContact CD2-CD2 3.37Å; L160-L166 HydrophobicContact CD2-CG 3.92Å; L160-L166 HydrophobicContact CG-CD2 4.36Å; L160-L192 HydrophobicContact CD1-CD2 3.97Å; L160-R195 HydrophobicContact CD1-CG 4.18Å |
| 161 | N | 90.7 | Very high | 90.2 | Very high | 97 Ų | 97 | 48.6 Ų | 48.6 | 52% | 0.519 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -28 | 175.7 | -69.8 | -9.8 | 0 | 0 | 0 | 112.8 | N157 L158 G163 R195 | N157-N161 WeakPolarHBondContact O-CB 3.33Å; N157-N161 PolarHBondContact O-N 3.42Å; N157-N161 PolarHBondContact O-ND2 3.29Å; N157-N161 PolarHBondContact O-OD1 3.14Å; L158-N161 PolarHBondContact O-N 3.01Å; N161-G163 VanDerWaalsContact C-N 3.31Å; N161-R195 VanDerWaalsContact OD1-CZ 3.3Å; N161-R195 PolarHBondContact OD1-NH1 3.24Å; N161-R195 PolarHBondContact OD1-NH2 3.16Å |
| 162 | K | 88.2 | Confident | 90.1 | Very high | 104 Ų | 104 | 53 Ų | 53 | 45% | 0.452 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 5.4 | 176.6 | -62.6 | -65.9 | -175.6 | 179 | 0 | 113.4 | A127 L133 L158 L159 L160 | A127-K162 HydrophobicContact CB-CB 4.32Å; A127-K162 HydrophobicContact CB-CG 4.13Å; L133-K162 HydrophobicContact CD1-CB 3.8Å; L133-K162 VanDerWaalsContact CD1-O 3.23Å; L133-K162 WeakPolarHBondContact CD1-O 3.3Å; L158-K162 HydrophobicContact CD1-CG 4.34Å; L158-K162 WeakPolarHBondContact O-CG 3.39Å; L158-K162 PolarHBondContact O-N 3.46Å; L159-K162 PolarHBondContact O-N 3.45Å; L160-K162 PolarHBondContact O-N 3.01Å |
| 163 | G | 85.4 | Confident | 90.1 | Very high | 54 Ų | 54 | 56 Ų | 56 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | 20.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L159 L160 N161 | L159-G163 PolarHBondContact O-N 3.3Å; L160-G163 PolarHBondContact O-N 3.1Å; L160-G163 VanDerWaalsContact O-N 3.13Å; N161-G163 VanDerWaalsContact C-N 3.31Å |
| 164 | A | 88.9 | Confident | 90 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | trans | -63.2 | 136 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L133 L159 | L133-A164 HydrophobicContact CB-CB 4.44Å; L159-A164 HydrophobicContact CB-CB 4.03Å; L159-A164 WeakPolarHBondContact O-CB 3.42Å; L159-A164 PolarHBondContact O-N 3.47Å | ||
| 165 | S | 88.8 | Confident | 90.1 | Very high | 46 Ų | 46 | 51 Ų | 51 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | trans | -75.7 | 137 | -178.8 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | N134 L144 N167 V168 | N134-S165 PolarHBondContact OD1-N 2.94Å; L144-S165 VanDerWaalsContact CD2-O 3.27Å; L144-S165 WeakPolarHBondContact CD2-O 3.19Å; S165-N167 PolarHBondContact OG-N 2.77Å; S165-V168 WeakPolarHBondContact O-CG2 3.49Å | ||
| 166 | L | 87.5 | Confident | 90.2 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -29.9 | 176.5 | -70.8 | 164.5 | 0 | 0 | 0 | 112.4 | L160 V168 L192 R195 | L160-L166 HydrophobicContact CD1-CD2 4.04Å; L160-L166 HydrophobicContact CD2-CD2 3.37Å; L160-L166 HydrophobicContact CD2-CG 3.92Å; L160-L166 HydrophobicContact CG-CD2 4.36Å; L166-V168 PolarHBondContact O-N 2.98Å; L166-L192 HydrophobicContact CD2-CD2 3.5Å; L166-R195 HydrophobicContact CD1-CB 3.95Å; L166-R195 VanDerWaalsContact CD1-O 3.27Å; L166-R195 WeakPolarHBondContact CD1-O 3.38Å; L166-R195 HydrophobicContact CD2-CB 4.41Å |
| 167 | N | 86.1 | Confident | 90.2 | Very high | 93 Ų | 93 | 51.2 Ų | 51.2 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 25.5 | -171.3 | -61.1 | -19 | 0 | 0 | 0 | 112.6 | S165 | S165-N167 PolarHBondContact OG-N 2.77Š|
| 168 | V | 87.6 | Confident | 90.2 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | trans | -70.5 | 139.5 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | N134 H145 S165 L166 Q175 P176 | N134-V168 HydrophobicContact CB-CG2 4.32Å; H145-V168 PolarHBondContact CE1-O 2.8Å; H145-V168 PolarHBondContact NE2-O 2.68Å; S165-V168 WeakPolarHBondContact O-CG2 3.49Å; L166-V168 PolarHBondContact O-N 2.98Å; V168-Q175 WeakPolarHBondContact O-CA 3.12Å; V168-P176 WeakPolarHBondContact O-CD 3.33Å | ||
| 169 | C | 90.7 | Very high | 90.2 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 37% | 0.372 | 25% | 0.254 | S | S | . | . | trans | -118.4 | 139.5 | -178.7 | -70.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 170 | D | 91.1 | Very high | 90.3 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.053 | 25% | 0.254 | C | S | . | . | trans | -75.8 | -179 | 167.8 | 79.9 | 1 | 0 | 0 | 0 | 112 | R141 K172 E173 R174 | R141-D170 HydrophobicContact CG-CB 3.97Å; D170-K172 PolarHBondContact O-N 3.43Å; D170-K172 VanDerWaalsContact O-N 3.1Å; D170-K172 VanDerWaalsContact OD1-CA 3.29Å; D170-K172 WeakPolarHBondContact OD1-CA 3.19Å; D170-K172 WeakPolarHBondContact OD1-CB 3.44Å; D170-K172 PolarHBondContact OD1-N 3.2Å; D170-E173 WeakPolarHBondContact O-CA 3.46Å; D170-E173 PolarHBondContact O-N 3.13Å; D170-E173 PolarHBondContact OD1-N 2.8Å; D170-R174 PolarHBondContact N-O 3.09Å; D170-R174 WeakPolarHBondContact OD1-CB 3.49Å; D170-R174 PolarHBondContact OD1-N 2.88Å; D170-R174 IonicContact OD1-NE 3.39Å; D170-R174 IonicContact OD2-CZ 2.77Å; D170-R174 IonicContact OD2-NE 2.86Å; D170-R174 PolarHBondContact OD2-NE 2.91Å; D170-R174 IonicContact OD2-NH2 2.82Å; D170-R174 PolarHBondContact OD2-NH2 2.85Å | ||
| 171 | K | 91 | Very high | 90.5 | Very high | 142 Ų | 142 | 47.8 Ų | 47.8 | 62% | 0.617 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.1 | 177.7 | -79.8 | -179.1 | 171.7 | 178.5 | 0 | 115 | R138 S139 E173 | R138-K171 WeakPolarHBondContact O-CE 3.35Å; R138-K171 PolarHBondContact O-NZ 2.88Å; S139-K171 WeakPolarHBondContact O-CB 3.42Å; S139-K171 WeakPolarHBondContact O-CG 3.4Å; S139-K171 PolarHBondContact O-N 3.34Å; S139-K171 VanDerWaalsContact O-N 3.07Å; K171-E173 VanDerWaalsContact C-N 3.33Å |
| 172 | K | 88.6 | Confident | 90.6 | Very high | 114 Ų | 114 | 46.3 Ų | 46.3 | 50% | 0.496 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 12.3 | 175.1 | -61.4 | -176.1 | -177.5 | 174.6 | 0 | 111.3 | D170 R174 R204 | D170-K172 PolarHBondContact O-N 3.43Å; D170-K172 VanDerWaalsContact O-N 3.1Å; D170-K172 VanDerWaalsContact OD1-CA 3.29Å; D170-K172 WeakPolarHBondContact OD1-CA 3.19Å; D170-K172 WeakPolarHBondContact OD1-CB 3.44Å; D170-K172 PolarHBondContact OD1-N 3.2Å; K172-R174 HydrophobicContact CB-CG 4.17Å; K172-R174 PolarHBondContact O-N 3.1Å; K172-R204 VanDerWaalsContact O-CB 3.25Å; K172-R204 WeakPolarHBondContact O-CB 3.3Å; K172-R204 PolarHBondContact O-N 3.11Å |
| 173 | E | 90.4 | Very high | 90.8 | Very high | 100 Ų | 100 | 43.9 Ų | 43.9 | 47% | 0.467 | 23% | 0.23 | S | C | . | . | trans | 60.9 | 21.6 | -175.6 | -60.4 | 168.5 | -151 | 0 | 0 | 113.8 | D170 K171 R204 | D170-E173 WeakPolarHBondContact O-CA 3.46Å; D170-E173 PolarHBondContact O-N 3.13Å; D170-E173 PolarHBondContact OD1-N 2.8Å; K171-E173 VanDerWaalsContact C-N 3.33Å; E173-R204 HydrophobicContact CB-CB 4.08Å; E173-R204 HydrophobicContact CG-CB 4.14Å | ||
| 174 | R | 92 | Very high | 91.1 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 22% | 0.219 | 22% | 0.215 | C | C | . | . | trans | -81.6 | 127.1 | 177 | -62.6 | 176.6 | -63.8 | 179 | 0.2 | 109.5 | H145 D170 K172 H178 W179 D203 | H145-R174 PolarHBondContact NE2-O 2.93Å; H145-R174 VanDerWaalsContact NE2-O 3.12Å; D170-R174 PolarHBondContact N-O 3.09Å; D170-R174 WeakPolarHBondContact OD1-CB 3.49Å; D170-R174 PolarHBondContact OD1-N 2.88Å; D170-R174 IonicContact OD1-NE 3.39Å; D170-R174 IonicContact OD2-CZ 2.77Å; D170-R174 IonicContact OD2-NE 2.86Å; D170-R174 PolarHBondContact OD2-NE 2.91Å; D170-R174 IonicContact OD2-NH2 2.82Å; D170-R174 PolarHBondContact OD2-NH2 2.85Å; K172-R174 HydrophobicContact CB-CG 4.17Å; K172-R174 PolarHBondContact O-N 3.1Å; R174-H178 HydrophobicContact CB-CB 4.18Å; R174-W179 VanDerWaalsContact CZ-CZ2 3.44Å; R174-D203 HydrophobicContact CG-CB 3.63Å | ||
| 175 | Q | 93.5 | Very high | 91.4 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | trans | -79.8 | 163 | 170.6 | -63.1 | -176.6 | -10.5 | 0 | 0 | 111.9 | V168 L177 H178 C201 | V168-Q175 WeakPolarHBondContact O-CA 3.12Å; Q175-L177 PolarHBondContact O-N 3.07Å; Q175-L177 VanDerWaalsContact O-N 3.1Å; Q175-H178 PolarHBondContact N-ND1 2.96Å; Q175-H178 WeakPolarHBondContact O-CB 3.33Å; Q175-H178 PolarHBondContact O-N 3.36Å; Q175-C201 VanDerWaalsContact OE1-CB 3.32Å; Q175-C201 PolarHBondContact OE1-SG 2.93Å; Q175-C201 VanDerWaalsContact OE1-SG 3.42Å | ||
| 176 | P | 92.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.2 | -33.3 | 174.9 | -24.1 | 32.5 | 0 | 0 | 0 | 112.7 | L144 H145 V148 V168 H178 W179 A180 L192 | L144-P176 HydrophobicContact CD2-CB 4.44Å; L144-P176 HydrophobicContact CD2-CG 3.89Å; L144-P176 HydrophobicContact CG-CB 4.27Å; L144-P176 HydrophobicContact CG-CG 4.01Å; H145-P176 WeakPolarHBondContact NE2-CD 3.42Å; V148-P176 HydrophobicContact CB-CB 4.34Å; V148-P176 VanDerWaalsContact CG1-O 3.28Å; V148-P176 WeakPolarHBondContact CG1-O 3.33Å; V148-P176 HydrophobicContact CG2-CB 3.93Å; V168-P176 WeakPolarHBondContact O-CD 3.33Å; P176-H178 VanDerWaalsContact C-N 3.3Å; P176-H178 PolarHBondContact O-N 2.89Å; P176-W179 WeakPolarHBondContact O-CB 3.39Å; P176-W179 PolarHBondContact O-N 3.28Å; P176-W179 VanDerWaalsContact O-N 3.1Å; P176-A180 PolarHBondContact O-N 3.07Å; P176-L192 HydrophobicContact CB-CD1 4.5Å |
| 177 | L | 93.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -35.8 | 177.5 | -164.4 | 61.6 | 0 | 0 | 0 | 113 | Q175 W179 A180 A181 L189 L192 V193 A197 D198 L199 L209 | Q175-L177 PolarHBondContact O-N 3.07Å; Q175-L177 VanDerWaalsContact O-N 3.1Å; L177-W179 VanDerWaalsContact C-N 3.32Å; L177-W179 PolarHBondContact O-N 2.94Å; L177-A180 PolarHBondContact O-N 2.89Å; L177-A181 WeakPolarHBondContact O-CB 3.34Å; L177-A181 PolarHBondContact O-N 3.37Å; L177-L189 HydrophobicContact CD1-CD1 4.01Å; L177-L189 HydrophobicContact CD1-CG 3.79Å; L177-L192 HydrophobicContact CD1-CB 3.85Å; L177-L192 HydrophobicContact CD1-CD1 3.99Å; L177-V193 HydrophobicContact CD1-CG2 4.26Å; L177-A197 HydrophobicContact CD2-CB 4.01Å; L177-D198 WeakPolarHBondContact CD2-O 3.45Å; L177-L199 HydrophobicContact CD2-CD2 4.34Å; L177-L209 HydrophobicContact CB-CD2 4.19Å; L177-L209 HydrophobicContact CD2-CD1 3.49Å; L177-L209 VanDerWaalsContact CD2-CD1 3.49Å; L177-L209 HydrophobicContact CD2-CD2 4.26Å; L177-L209 HydrophobicContact CD2-CG 4.47Å; L177-L209 HydrophobicContact CG-CD1 3.76Å; L177-L209 HydrophobicContact CG-CD2 3.82Å; L177-L209 HydrophobicContact CG-CG 4.45Å |
| 178 | H | 93.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 174.8 | -65.3 | 84.9 | 0 | 0 | 0 | 111.7 | R174 Q175 P176 F182 C201 D203 Y207 L209 | R174-H178 HydrophobicContact CB-CB 4.18Å; Q175-H178 PolarHBondContact N-ND1 2.96Å; Q175-H178 WeakPolarHBondContact O-CB 3.33Å; Q175-H178 PolarHBondContact O-N 3.36Å; P176-H178 VanDerWaalsContact C-N 3.3Å; P176-H178 PolarHBondContact O-N 2.89Å; H178-F182 VanDerWaalsContact O-CB 3.29Å; H178-F182 WeakPolarHBondContact O-CB 3.14Å; H178-F182 PolarHBondContact O-N 3.07Å; H178-C201 PolarHBondContact CE1-SG 3.03Å; H178-C201 PolarHBondContact NE2-O 3.27Å; H178-D203 PolarHBondContact NE2-N 3.31Å; H178-Y207 PolarHBondContact NE2-O 3.33Å; H178-L209 HydrophobicContact CB-CD2 4.49Å |
| 179 | W | 91.6 | Very high | 92.8 | Very high | 28 Ų | 28 | 42 Ų | 42 | 11% | 0.106 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.6 | -40.7 | 176.9 | -70.9 | 93 | 0 | 0 | 0 | 112 | H145 V148 H149 R174 P176 L177 A181 F182 L183 | H145-W179 AromaticContact CD2-CD1 3.69Å; H145-W179 AromaticContact CD2-NE1 3.76Å; V148-W179 HydrophobicContact CG1-CB 4.23Å; H149-W179 AromaticContact CE1-CZ3 3.77Å; H149-W179 AromaticContact ND1-CE3 3.37Å; H149-W179 AromaticContact ND1-CZ3 3.39Å; H149-W179 WeakPolarHBondContact ND1-CZ3 3.35Å; R174-W179 VanDerWaalsContact CZ-CZ2 3.44Å; P176-W179 WeakPolarHBondContact O-CB 3.39Å; P176-W179 PolarHBondContact O-N 3.28Å; P176-W179 VanDerWaalsContact O-N 3.1Å; L177-W179 VanDerWaalsContact C-N 3.32Å; L177-W179 PolarHBondContact O-N 2.94Å; W179-A181 VanDerWaalsContact C-N 3.3Å; W179-A181 PolarHBondContact O-N 2.99Å; W179-F182 PolarHBondContact O-N 3.4Å; W179-L183 HydrophobicContact CE3-CD1 4.4Å; W179-L183 VanDerWaalsContact O-CB 3.31Å; W179-L183 WeakPolarHBondContact O-CB 3.32Å; W179-L183 VanDerWaalsContact O-CG 3.31Å; W179-L183 WeakPolarHBondContact O-CG 3.19Å; W179-L183 PolarHBondContact O-N 2.84Å |
| 180 | A | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -42.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V148 P176 L177 G184 H185 V188 L189 L192 | V148-A180 HydrophobicContact CG1-CB 3.68Å; P176-A180 PolarHBondContact O-N 3.07Å; L177-A180 PolarHBondContact O-N 2.89Å; A180-G184 PolarHBondContact O-N 2.7Å; A180-G184 VanDerWaalsContact O-N 3.1Å; A180-H185 PolarHBondContact O-N 2.77Å; A180-V188 HydrophobicContact CB-CG1 4.38Å; A180-L189 HydrophobicContact CB-CB 4.05Å; A180-L189 HydrophobicContact CB-CD1 4.26Å; A180-L192 HydrophobicContact CB-CD1 4.4Å |
| 181 | A | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.7 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L177 W179 L183 G184 L189 L209 A213 V221 | L177-A181 WeakPolarHBondContact O-CB 3.34Å; L177-A181 PolarHBondContact O-N 3.37Å; W179-A181 VanDerWaalsContact C-N 3.3Å; W179-A181 PolarHBondContact O-N 2.99Å; A181-L183 PolarHBondContact O-N 3.08Å; A181-G184 PolarHBondContact O-N 3.33Å; A181-L189 HydrophobicContact CB-CD1 3.76Å; A181-L209 HydrophobicContact CB-CB 4.44Å; A181-L209 HydrophobicContact CB-CD2 4.21Å; A181-A213 HydrophobicContact CB-CB 4.5Å; A181-V221 HydrophobicContact CB-CG1 4.09Å |
| 182 | F | 93.6 | Very high | 93.2 | Very high | 67 Ų | 67 | 37 Ų | 37 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 178.6 | -176.6 | -100.6 | 0 | 0 | 0 | 112.6 | H178 W179 A215 S216 Y1074 | H178-F182 VanDerWaalsContact O-CB 3.29Å; H178-F182 WeakPolarHBondContact O-CB 3.14Å; H178-F182 PolarHBondContact O-N 3.07Å; W179-F182 PolarHBondContact O-N 3.4Å; F182-A215 HydrophobicContact CE2-CB 4.45Å; F182-S216 WeakPolarHBondContact O-CB 3.47Å; F182-S216 PolarHBondContact O-OG 3.29Å; F182-Y1074 HydrophobicContact CE2-CE1 4.03Å; F182-Y1074 HydrophobicContact CZ-CE1 4.27Å |
| 183 | L | 92.1 | Very high | 93.4 | Very high | 52 Ų | 52 | 33 Ų | 33 | 27% | 0.272 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -88.4 | -7 | -176.9 | -64.4 | 167.8 | 0 | 0 | 0 | 114 | H149 W179 A181 | H149-L183 HydrophobicContact CB-CD1 4.29Å; H149-L183 WeakPolarHBondContact O-CD1 3.35Å; W179-L183 HydrophobicContact CE3-CD1 4.4Å; W179-L183 VanDerWaalsContact O-CB 3.31Å; W179-L183 WeakPolarHBondContact O-CB 3.32Å; W179-L183 VanDerWaalsContact O-CG 3.31Å; W179-L183 WeakPolarHBondContact O-CG 3.19Å; W179-L183 PolarHBondContact O-N 2.84Å; A181-L183 PolarHBondContact O-N 3.08Å |
| 184 | G | 92.4 | Very high | 93.4 | Very high | 22 Ų | 22 | 32.2 Ų | 32.2 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 15.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | A180 A181 L186 Q218 | A180-G184 PolarHBondContact O-N 2.7Å; A180-G184 VanDerWaalsContact O-N 3.1Å; A181-G184 PolarHBondContact O-N 3.33Å; G184-L186 PolarHBondContact O-N 3.07Å; G184-Q218 VanDerWaalsContact CA-CD 3.43Å |
| 185 | H | 94.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 26% | 0.259 | 18% | 0.178 | S | C | . | . | trans | -78 | 70.4 | -177.8 | -64 | -42.8 | 0 | 0 | 0 | 111.6 | V148 H149 A180 E187 V188 L189 | V148-H185 PolarHBondContact O-CD2 2.82Å; H149-H185 PolarHBondContact O-NE2 3.22Å; A180-H185 PolarHBondContact O-N 2.77Å; H185-E187 VanDerWaalsContact C-N 3.34Å; H185-E187 PolarHBondContact O-N 2.66Å; H185-V188 HydrophobicContact CB-CB 4Å; H185-V188 HydrophobicContact CB-CG2 4.14Å; H185-V188 PolarHBondContact O-N 2.88Å; H185-V188 VanDerWaalsContact O-N 3.12Å; H185-L189 PolarHBondContact O-N 2.77Å | ||
| 186 | L | 94.4 | Very high | 93 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 17% | 0.168 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55 | -43.3 | -172.3 | 179.2 | 63 | 0 | 0 | 0 | 113.6 | G184 V188 L189 K190 E220 V221 Y224 | G184-L186 PolarHBondContact O-N 3.07Å; L186-V188 VanDerWaalsContact C-N 3.35Å; L186-V188 PolarHBondContact O-N 3.07Å; L186-L189 WeakPolarHBondContact O-CB 3.34Å; L186-L189 PolarHBondContact O-N 3.1Å; L186-K190 HydrophobicContact CD1-CG 4.4Å; L186-K190 HydrophobicContact CG-CD 4.31Å; L186-K190 WeakPolarHBondContact O-CG 3.39Å; L186-K190 PolarHBondContact O-N 3.05Å; L186-E220 HydrophobicContact CD2-CB 4.32Å; L186-V221 HydrophobicContact CB-CG2 4.44Å; L186-V221 HydrophobicContact CD1-CG2 4.45Å; L186-Y224 HydrophobicContact CD1-CD1 4.18Å; L186-Y224 HydrophobicContact CD1-CD2 4.37Å; L186-Y224 HydrophobicContact CD1-CG 3.8Å |
| 187 | E | 95 | Very high | 92.9 | Very high | 107 Ų | 107 | 36.3 Ų | 36.3 | 50% | 0.5 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.9 | -33.3 | -178.5 | -60.6 | -51.8 | 128.4 | 0 | 0 | 112.4 | L153 H185 K190 L191 | L153-E187 HydrophobicContact CD2-CB 4.45Å; H185-E187 VanDerWaalsContact C-N 3.34Å; H185-E187 PolarHBondContact O-N 2.66Å; E187-K190 IonicContact OE1-NZ 3.2Å; E187-K190 PolarHBondContact OE1-NZ 2.83Å; E187-K190 IonicContact OE2-NZ 3.68Å; E187-L191 WeakPolarHBondContact O-CB 3.32Å; E187-L191 PolarHBondContact O-N 3.24Å |
| 188 | V | 94.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.6 | -41.7 | 172.2 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | V148 L153 V156 A180 H185 L186 L191 L192 | V148-V188 HydrophobicContact CB-CG1 4.34Å; V148-V188 HydrophobicContact CG1-CG1 4.01Å; V148-V188 HydrophobicContact CG2-CG1 3.84Å; L153-V188 HydrophobicContact CB-CG2 4.29Å; L153-V188 HydrophobicContact CD1-CG2 4.01Å; V156-V188 HydrophobicContact CG1-CG1 4.33Å; V156-V188 HydrophobicContact CG2-CG1 4.14Å; A180-V188 HydrophobicContact CB-CG1 4.38Å; H185-V188 HydrophobicContact CB-CB 4Å; H185-V188 HydrophobicContact CB-CG2 4.14Å; H185-V188 PolarHBondContact O-N 2.88Å; H185-V188 VanDerWaalsContact O-N 3.12Å; L186-V188 VanDerWaalsContact C-N 3.35Å; L186-V188 PolarHBondContact O-N 3.07Å; V188-L191 PolarHBondContact O-N 3.11Å; V188-L192 HydrophobicContact CG1-CD1 4.12Å; V188-L192 VanDerWaalsContact O-CG 3.32Å; V188-L192 WeakPolarHBondContact O-CG 3.3Å; V188-L192 PolarHBondContact O-N 3.15Å |
| 189 | L | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 176.6 | -173.8 | 132.3 | 0 | 0 | 0 | 111.5 | L177 A180 A181 H185 L186 L191 L192 V193 V221 Y224 L225 | L177-L189 HydrophobicContact CD1-CD1 4.01Å; L177-L189 HydrophobicContact CD1-CG 3.79Å; A180-L189 HydrophobicContact CB-CB 4.05Å; A180-L189 HydrophobicContact CB-CD1 4.26Å; A181-L189 HydrophobicContact CB-CD1 3.76Å; H185-L189 PolarHBondContact O-N 2.77Å; L186-L189 WeakPolarHBondContact O-CB 3.34Å; L186-L189 PolarHBondContact O-N 3.1Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L189-L191 PolarHBondContact O-N 2.98Å; L189-L192 PolarHBondContact O-N 2.99Å; L189-V193 VanDerWaalsContact O-CG2 3.3Å; L189-V193 WeakPolarHBondContact O-CG2 3.34Å; L189-V193 PolarHBondContact O-N 3.23Å; L189-V221 HydrophobicContact CD1-CG1 3.97Å; L189-Y224 HydrophobicContact CD2-CD1 3.35Å; L189-Y224 HydrophobicContact CD2-CE1 3.44Å; L189-Y224 VanDerWaalsContact CD2-CE1 3.44Å; L189-L225 HydrophobicContact CD2-CD2 4.37Å |
| 190 | K | 94.6 | Very high | 92.1 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 29% | 0.291 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 173.6 | -74.7 | 171.9 | -177 | 165.7 | 0 | 112.1 | L186 E187 V193 A194 Y224 | L186-K190 HydrophobicContact CD1-CG 4.4Å; L186-K190 HydrophobicContact CG-CD 4.31Å; L186-K190 WeakPolarHBondContact O-CG 3.39Å; L186-K190 PolarHBondContact O-N 3.05Å; E187-K190 IonicContact OE1-NZ 3.2Å; E187-K190 PolarHBondContact OE1-NZ 2.83Å; E187-K190 IonicContact OE2-NZ 3.68Å; K190-V193 PolarHBondContact O-N 2.87Å; K190-A194 VanDerWaalsContact O-CB 3.3Å; K190-A194 WeakPolarHBondContact O-CB 3.37Å; K190-A194 PolarHBondContact O-N 3.16Å; K190-Y224 HydrophobicContact CD-CE2 4.42Å; K190-Y224 HydrophobicContact CG-CD2 4.29Å; K190-Y224 HydrophobicContact CG-CE1 4.25Å; K190-Y224 HydrophobicContact CG-CE2 3.73Å |
| 191 | L | 94.1 | Very high | 91.9 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 177.5 | -179.9 | 67.5 | 0 | 0 | 0 | 111.6 | L153 V156 N157 E187 V188 L189 A194 R195 | L153-L191 HydrophobicContact CD1-CB 3.94Å; L153-L191 HydrophobicContact CD1-CD2 3.55Å; L153-L191 HydrophobicContact CD1-CG 4.34Å; L153-L191 HydrophobicContact CG-CD2 4.42Å; V156-L191 HydrophobicContact CB-CD2 4.45Å; V156-L191 HydrophobicContact CG1-CD2 3.99Å; N157-L191 HydrophobicContact CB-CD2 3.9Å; E187-L191 WeakPolarHBondContact O-CB 3.32Å; E187-L191 PolarHBondContact O-N 3.24Å; V188-L191 PolarHBondContact O-N 3.11Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L189-L191 PolarHBondContact O-N 2.98Å; L191-A194 PolarHBondContact O-N 2.89Å; L191-R195 VanDerWaalsContact O-CG 3.28Å; L191-R195 WeakPolarHBondContact O-CG 3.31Å; L191-R195 PolarHBondContact O-N 3.05Å; L191-R195 VanDerWaalsContact O-N 3.15Å |
| 192 | L | 92.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 179.1 | -69.8 | 169.5 | 0 | 0 | 0 | 111.5 | V148 V156 L160 L166 P176 L177 A180 V188 L189 R195 G196 A197 | V148-L192 HydrophobicContact CG2-CD1 4.17Å; V156-L192 HydrophobicContact CG1-CD2 4.24Å; L160-L192 HydrophobicContact CD1-CD2 3.97Å; L166-L192 HydrophobicContact CD2-CD2 3.5Å; P176-L192 HydrophobicContact CB-CD1 4.5Å; L177-L192 HydrophobicContact CD1-CB 3.85Å; L177-L192 HydrophobicContact CD1-CD1 3.99Å; A180-L192 HydrophobicContact CB-CD1 4.4Å; V188-L192 HydrophobicContact CG1-CD1 4.12Å; V188-L192 VanDerWaalsContact O-CG 3.32Å; V188-L192 WeakPolarHBondContact O-CG 3.3Å; V188-L192 PolarHBondContact O-N 3.15Å; L189-L192 PolarHBondContact O-N 2.99Å; L192-R195 PolarHBondContact O-N 3.33Å; L192-R195 VanDerWaalsContact O-N 3.16Å; L192-G196 PolarHBondContact O-N 3.43Å; L192-A197 HydrophobicContact CB-CB 4.21Å; L192-A197 WeakPolarHBondContact O-CB 3.15Å; L192-A197 PolarHBondContact O-N 3.37Å; L192-A197 VanDerWaalsContact O-N 3.12Å |
| 193 | V | 92.1 | Very high | 91.7 | Very high | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | L177 L189 K190 R195 G196 L199 | L177-V193 HydrophobicContact CD1-CG2 4.26Å; L189-V193 VanDerWaalsContact O-CG2 3.3Å; L189-V193 WeakPolarHBondContact O-CG2 3.34Å; L189-V193 PolarHBondContact O-N 3.23Å; K190-V193 PolarHBondContact O-N 2.87Å; V193-R195 PolarHBondContact O-N 2.96Å; V193-R195 VanDerWaalsContact O-N 3.16Å; V193-G196 PolarHBondContact O-N 3Å; V193-L199 HydrophobicContact CG1-CD1 4.39Å; V193-L199 HydrophobicContact CG2-CD2 3.57Å; V193-L199 HydrophobicContact CG2-CG 4.25Å |
| 194 | A | 91.9 | Very high | 91.7 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 70% | 0.702 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.3 | -22.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K190 L191 G196 | K190-A194 VanDerWaalsContact O-CB 3.3Å; K190-A194 WeakPolarHBondContact O-CB 3.37Å; K190-A194 PolarHBondContact O-N 3.16Å; L191-A194 PolarHBondContact O-N 2.89Å; A194-G196 VanDerWaalsContact C-N 3.32Å |
| 195 | R | 89.9 | Confident | 91.5 | Very high | 97 Ų | 97 | 55.5 Ų | 55.5 | 37% | 0.366 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 6.7 | 174.5 | -64.2 | -65.6 | -173 | 97.4 | 0 | 113.5 | N157 L160 N161 L166 L191 L192 V193 | N157-R195 PolarHBondContact OD1-NH2 2.98Å; L160-R195 HydrophobicContact CD1-CG 4.18Å; N161-R195 VanDerWaalsContact OD1-CZ 3.3Å; N161-R195 PolarHBondContact OD1-NH1 3.24Å; N161-R195 PolarHBondContact OD1-NH2 3.16Å; L166-R195 HydrophobicContact CD1-CB 3.95Å; L166-R195 VanDerWaalsContact CD1-O 3.27Å; L166-R195 WeakPolarHBondContact CD1-O 3.38Å; L166-R195 HydrophobicContact CD2-CB 4.41Å; L191-R195 VanDerWaalsContact O-CG 3.28Å; L191-R195 WeakPolarHBondContact O-CG 3.31Å; L191-R195 PolarHBondContact O-N 3.05Å; L191-R195 VanDerWaalsContact O-N 3.15Å; L192-R195 PolarHBondContact O-N 3.33Å; L192-R195 VanDerWaalsContact O-N 3.16Å; V193-R195 PolarHBondContact O-N 2.96Å; V193-R195 VanDerWaalsContact O-N 3.16Å |
| 196 | G | 87.5 | Confident | 91.3 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | 23.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L192 V193 A194 | L192-G196 PolarHBondContact O-N 3.43Å; V193-G196 PolarHBondContact O-N 3Å; A194-G196 VanDerWaalsContact C-N 3.32Å |
| 197 | A | 89.1 | Confident | 91.2 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | trans | -67.4 | 137.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | L177 L192 | L177-A197 HydrophobicContact CD2-CB 4.01Å; L192-A197 HydrophobicContact CB-CB 4.21Å; L192-A197 WeakPolarHBondContact O-CB 3.15Å; L192-A197 PolarHBondContact O-N 3.37Å; L192-A197 VanDerWaalsContact O-N 3.12Å | ||
| 198 | D | 88.5 | Confident | 91.1 | Very high | 95 Ų | 95 | 48.1 Ų | 48.1 | 51% | 0.508 | 27% | 0.266 | S | S | . | . | trans | -75.2 | 126.4 | -179.2 | -178.1 | 18.2 | 0 | 0 | 0 | 111.6 | L177 G200 C201 | L177-D198 WeakPolarHBondContact CD2-O 3.45Å; D198-G200 PolarHBondContact OD1-N 2.89Å; D198-C201 PolarHBondContact O-SG 3.42Å | ||
| 199 | L | 87.7 | Confident | 91.1 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -20.1 | 177.2 | -71.8 | 175.2 | 0 | 0 | 0 | 112.8 | L177 V193 C201 L209 L225 M228 | L177-L199 HydrophobicContact CD2-CD2 4.34Å; V193-L199 HydrophobicContact CG1-CD1 4.39Å; V193-L199 HydrophobicContact CG2-CD2 3.57Å; V193-L199 HydrophobicContact CG2-CG 4.25Å; L199-C201 PolarHBondContact O-N 2.9Å; L199-L209 HydrophobicContact CB-CD1 4.44Å; L199-L209 HydrophobicContact CD2-CD1 3.65Å; L199-L225 HydrophobicContact CD2-CD2 3.77Å; L199-M228 HydrophobicContact CD1-CB 3.75Å; L199-M228 HydrophobicContact CD1-CG 4.47Å |
| 200 | G | 87.4 | Confident | 91.1 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 11 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D198 | D198-G200 PolarHBondContact OD1-N 2.89Š|
| 201 | C | 89.4 | Confident | 91.1 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | trans | -67.9 | 144.1 | -179.8 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | Q175 H178 D198 L199 | Q175-C201 VanDerWaalsContact OE1-CB 3.32Å; Q175-C201 PolarHBondContact OE1-SG 2.93Å; Q175-C201 VanDerWaalsContact OE1-SG 3.42Å; H178-C201 PolarHBondContact CE1-SG 3.03Å; H178-C201 PolarHBondContact NE2-O 3.27Å; D198-C201 PolarHBondContact O-SG 3.42Å; L199-C201 PolarHBondContact O-N 2.9Å | ||
| 202 | K | 92 | Very high | 91.1 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 40% | 0.4 | 25% | 0.251 | S | S | . | . | trans | -128.9 | 145.9 | -180 | -63.7 | -175.8 | -176.1 | -175.6 | 0 | 110.7 | E234 | K202-E234 WeakPolarHBondContact CE-OE1 3.36Å; K202-E234 IonicContact NZ-OE1 2.67Å; K202-E234 PolarHBondContact NZ-OE1 3.27Å | ||
| 203 | D | 91.6 | Very high | 91.2 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 12% | 0.118 | 25% | 0.25 | C | S | . | . | trans | -79.3 | 179.2 | 169.2 | 86.4 | -6.3 | 0 | 0 | 0 | 112.2 | R174 H178 K205 G206 Y207 | R174-D203 HydrophobicContact CG-CB 3.63Å; H178-D203 PolarHBondContact NE2-N 3.31Å; D203-K205 PolarHBondContact O-N 2.86Å; D203-K205 WeakPolarHBondContact OD1-CA 3.38Å; D203-K205 PolarHBondContact OD1-N 3.19Å; D203-G206 WeakPolarHBondContact O-CA 3.28Å; D203-G206 PolarHBondContact O-N 3.19Å; D203-G206 PolarHBondContact OD1-N 3.17Å; D203-G206 VanDerWaalsContact OD1-N 3.13Å; D203-Y207 PolarHBondContact N-O 2.87Å; D203-Y207 VanDerWaalsContact N-O 3.11Å; D203-Y207 WeakPolarHBondContact OD1-CB 3.44Å; D203-Y207 PolarHBondContact OD1-N 2.91Å | ||
| 204 | R | 91.6 | Very high | 91.3 | Very high | 177 Ų | 177 | 43.2 Ų | 43.2 | 67% | 0.668 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.5 | -178.2 | -176.7 | 174.7 | 173.9 | -170.7 | 0.2 | 113.7 | K172 E173 | K172-R204 VanDerWaalsContact O-CB 3.25Å; K172-R204 WeakPolarHBondContact O-CB 3.3Å; K172-R204 PolarHBondContact O-N 3.11Å; E173-R204 HydrophobicContact CB-CB 4.08Å; E173-R204 HydrophobicContact CG-CB 4.14Å |
| 205 | K | 88.4 | Confident | 91.4 | Very high | 97 Ų | 97 | 39.5 Ų | 39.5 | 42% | 0.422 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 11.7 | 178.2 | -66.3 | -175.5 | 178.8 | -175.1 | 0 | 111.9 | D203 Y207 A237 F238 | D203-K205 PolarHBondContact O-N 2.86Å; D203-K205 WeakPolarHBondContact OD1-CA 3.38Å; D203-K205 PolarHBondContact OD1-N 3.19Å; K205-Y207 VanDerWaalsContact C-N 3.27Å; K205-Y207 HydrophobicContact CB-CD2 3.71Å; K205-Y207 HydrophobicContact CB-CE2 3.93Å; K205-Y207 HydrophobicContact CD-CE2 4.47Å; K205-Y207 PolarHBondContact O-N 3.17Å; K205-A237 WeakPolarHBondContact O-CB 3.39Å; K205-A237 PolarHBondContact O-N 3.33Å; K205-A237 VanDerWaalsContact O-N 3.08Å; K205-F238 HydrophobicContact CB-CE2 4.37Å; K205-F238 HydrophobicContact CD-CE2 4.42Å |
| 206 | G | 90.8 | Very high | 91.5 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | trans | 72.5 | 14.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D203 G208 N236 | D203-G206 WeakPolarHBondContact O-CA 3.28Å; D203-G206 PolarHBondContact O-N 3.19Å; D203-G206 PolarHBondContact OD1-N 3.17Å; D203-G206 VanDerWaalsContact OD1-N 3.13Å; G206-G208 PolarHBondContact O-N 3.1Å; G206-N236 VanDerWaalsContact O-CA 3.31Å; G206-N236 WeakPolarHBondContact O-CA 3.34Å; G206-N236 VanDerWaalsContact O-CB 3.29Å; G206-N236 WeakPolarHBondContact O-CB 3.26Å | ||
| 207 | Y | 92.4 | Very high | 91.7 | Very high | 25 Ų | 25 | 34.3 Ų | 34.3 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | trans | -72.9 | 114.1 | 175.8 | -77.6 | -115.5 | 0 | 0 | 0 | 109.3 | H178 D203 K205 H211 N236 F238 I245 | H178-Y207 PolarHBondContact NE2-O 3.33Å; D203-Y207 PolarHBondContact N-O 2.87Å; D203-Y207 VanDerWaalsContact N-O 3.11Å; D203-Y207 WeakPolarHBondContact OD1-CB 3.44Å; D203-Y207 PolarHBondContact OD1-N 2.91Å; K205-Y207 VanDerWaalsContact C-N 3.27Å; K205-Y207 HydrophobicContact CB-CD2 3.71Å; K205-Y207 HydrophobicContact CB-CE2 3.93Å; K205-Y207 HydrophobicContact CD-CE2 4.47Å; K205-Y207 PolarHBondContact O-N 3.17Å; Y207-H211 HydrophobicContact CD1-CB 3.72Å; Y207-H211 HydrophobicContact CG-CB 4.29Å; Y207-N236 HydrophobicContact CD2-CB 4.4Å; Y207-N236 WeakPolarHBondContact CE2-ND2 3.47Å; Y207-F238 HydrophobicContact CE2-CE2 4.33Å; Y207-I245 HydrophobicContact CD1-CD1 3.95Å; Y207-I245 HydrophobicContact CE1-CD1 3.49Å; Y207-I245 VanDerWaalsContact CE1-CD1 3.49Å | ||
| 208 | G | 92.8 | Very high | 92 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -79.8 | 179.1 | 167 | 0 | 0 | 0 | 0 | 0 | 113.2 | G206 L210 H211 T212 | G206-G208 PolarHBondContact O-N 3.1Å; G208-L210 VanDerWaalsContact C-N 3.34Å; G208-L210 PolarHBondContact O-N 3.18Å; G208-H211 PolarHBondContact N-ND1 3.12Å; G208-H211 WeakPolarHBondContact O-CB 3.42Å; G208-H211 PolarHBondContact O-N 3.11Å; G208-T212 PolarHBondContact O-N 3.35Å; G208-T212 VanDerWaalsContact O-N 3.16Å | ||
| 209 | L | 94.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -35.3 | -177.1 | -58.9 | 176.3 | 0 | 0 | 0 | 113.7 | L177 H178 A181 L199 H211 T212 A213 L225 | L177-L209 HydrophobicContact CB-CD2 4.19Å; L177-L209 HydrophobicContact CD2-CD1 3.49Å; L177-L209 VanDerWaalsContact CD2-CD1 3.49Å; L177-L209 HydrophobicContact CD2-CD2 4.26Å; L177-L209 HydrophobicContact CD2-CG 4.47Å; L177-L209 HydrophobicContact CG-CD1 3.76Å; L177-L209 HydrophobicContact CG-CD2 3.82Å; L177-L209 HydrophobicContact CG-CG 4.45Å; H178-L209 HydrophobicContact CB-CD2 4.49Å; A181-L209 HydrophobicContact CB-CB 4.44Å; A181-L209 HydrophobicContact CB-CD2 4.21Å; L199-L209 HydrophobicContact CB-CD1 4.44Å; L199-L209 HydrophobicContact CD2-CD1 3.65Å; L209-H211 VanDerWaalsContact C-N 3.32Å; L209-T212 PolarHBondContact O-N 3.08Å; L209-T212 PolarHBondContact O-OG1 3.06Å; L209-A213 WeakPolarHBondContact O-CB 3.38Å; L209-A213 PolarHBondContact O-N 3.04Å; L209-L225 HydrophobicContact CB-CD1 3.75Å; L209-L225 HydrophobicContact CB-CD2 4.16Å; L209-L225 HydrophobicContact CD1-CD2 4.02Å |
| 210 | L | 94.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -37.5 | 177.6 | -164.1 | 66.2 | 0 | 0 | 0 | 111 | G208 A214 V222 L225 L226 A242 L258 | G208-L210 VanDerWaalsContact C-N 3.34Å; G208-L210 PolarHBondContact O-N 3.18Å; L210-A214 WeakPolarHBondContact O-CB 3.36Å; L210-A214 PolarHBondContact O-N 3.22Å; L210-V222 HydrophobicContact CD1-CB 4.4Å; L210-V222 HydrophobicContact CD1-CG1 3.95Å; L210-V222 HydrophobicContact CD1-CG2 4.29Å; L210-L225 HydrophobicContact CD1-CB 4.38Å; L210-L225 HydrophobicContact CD1-CD1 4.45Å; L210-L226 HydrophobicContact CD1-CD2 4.28Å; L210-L226 HydrophobicContact CD1-CG 4.35Å; L210-L226 HydrophobicContact CD2-CD2 4.27Å; L210-A242 HydrophobicContact CB-CB 4.21Å; L210-A242 HydrophobicContact CD2-CB 3.82Å; L210-A242 HydrophobicContact CG-CB 3.64Å; L210-L258 HydrophobicContact CD1-CD2 4.17Å; L210-L258 HydrophobicContact CD2-CD2 3.95Å; L210-L258 HydrophobicContact CG-CD2 4.22Å |
| 211 | H | 94.7 | Very high | 93.1 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.1 | -61.9 | 97.8 | 0 | 0 | 0 | 112 | Y207 G208 L209 A215 E234 N240 A242 I245 | Y207-H211 HydrophobicContact CD1-CB 3.72Å; Y207-H211 HydrophobicContact CG-CB 4.29Å; G208-H211 PolarHBondContact N-ND1 3.12Å; G208-H211 WeakPolarHBondContact O-CB 3.42Å; G208-H211 PolarHBondContact O-N 3.11Å; L209-H211 VanDerWaalsContact C-N 3.32Å; H211-A215 WeakPolarHBondContact O-CB 3.39Å; H211-A215 PolarHBondContact O-N 3.09Å; H211-E234 PolarHBondContact CE1-O 3.34Å; H211-E234 PolarHBondContact NE2-O 3.19Å; H211-N240 PolarHBondContact NE2-O 3.35Å; H211-A242 PolarHBondContact CD2-N 2.88Å; H211-A242 PolarHBondContact NE2-N 2.58Å; H211-I245 HydrophobicContact CB-CD1 3.57Å; H211-I245 VanDerWaalsContact CD2-CD1 3.46Å; H211-I245 WeakPolarHBondContact CD2-CD1 3.38Å |
| 212 | T | 93.6 | Very high | 93.4 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.8 | -40.3 | -179.2 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | G208 L209 A215 S216 | G208-T212 PolarHBondContact O-N 3.35Å; G208-T212 VanDerWaalsContact O-N 3.16Å; L209-T212 PolarHBondContact O-N 3.08Å; L209-T212 PolarHBondContact O-OG1 3.06Å; T212-A215 WeakPolarHBondContact O-CB 3.33Å; T212-A215 PolarHBondContact O-N 3.27Å; T212-S216 PolarHBondContact O-N 2.88Å; T212-S216 PolarHBondContact O-OG 3.28Å |
| 213 | A | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.1 | -38.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A181 L209 A215 G217 Q218 V221 V222 L225 | A181-A213 HydrophobicContact CB-CB 4.5Å; L209-A213 WeakPolarHBondContact O-CB 3.38Å; L209-A213 PolarHBondContact O-N 3.04Å; A213-A215 VanDerWaalsContact C-N 3.31Å; A213-G217 PolarHBondContact O-N 3.32Å; A213-G217 VanDerWaalsContact O-N 3.14Å; A213-Q218 HydrophobicContact CB-CB 4.43Å; A213-Q218 PolarHBondContact O-N 3.01Å; A213-V221 HydrophobicContact CB-CB 4.22Å; A213-V221 HydrophobicContact CB-CG1 3.81Å; A213-V222 HydrophobicContact CB-CG2 3.77Å; A213-L225 HydrophobicContact CB-CD1 4.4Å |
| 214 | A | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.8 | -33.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L210 S216 G217 A242 A246 Q251 V254 | L210-A214 WeakPolarHBondContact O-CB 3.36Å; L210-A214 PolarHBondContact O-N 3.22Å; A214-S216 PolarHBondContact O-N 2.91Å; A214-G217 PolarHBondContact O-N 3.45Å; A214-A242 HydrophobicContact CB-CB 4.06Å; A214-A246 HydrophobicContact CB-CB 4.42Å; A214-Q251 WeakPolarHBondContact O-CG 3.18Å; A214-V254 HydrophobicContact CB-CG1 3.94Å |
| 215 | A | 93.2 | Very high | 93.9 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 7% | 0.066 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F182 H211 T212 A213 I245 L249 Y1074 | F182-A215 HydrophobicContact CE2-CB 4.45Å; H211-A215 WeakPolarHBondContact O-CB 3.39Å; H211-A215 PolarHBondContact O-N 3.09Å; T212-A215 WeakPolarHBondContact O-CB 3.33Å; T212-A215 PolarHBondContact O-N 3.27Å; A213-A215 VanDerWaalsContact C-N 3.31Å; A215-I245 HydrophobicContact CB-CG2 3.79Å; A215-L249 HydrophobicContact CB-CD1 3.91Å; A215-L249 WeakPolarHBondContact O-CD1 3.39Å; A215-Y1074 WeakPolarHBondContact CB-OH 3.28Å |
| 216 | S | 91.3 | Very high | 94.1 | Very high | 32 Ų | 32 | 23.3 Ų | 23.3 | 22% | 0.224 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 3.3 | -177.1 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | F182 T212 A214 Q218 | F182-S216 WeakPolarHBondContact O-CB 3.47Å; F182-S216 PolarHBondContact O-OG 3.29Å; T212-S216 PolarHBondContact O-N 2.88Å; T212-S216 PolarHBondContact O-OG 3.28Å; A214-S216 PolarHBondContact O-N 2.91Å; S216-Q218 WeakPolarHBondContact OG-CG 3.34Å |
| 217 | G | 93.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 32 Ų | 32 | 19% | 0.186 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 24.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A213 A214 I219 | A213-G217 PolarHBondContact O-N 3.32Å; A213-G217 VanDerWaalsContact O-N 3.14Å; A214-G217 PolarHBondContact O-N 3.45Å; G217-I219 PolarHBondContact O-N 2.93Å |
| 218 | Q | 94.8 | Very high | 94.1 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 29% | 0.29 | 17% | 0.17 | S | C | . | . | trans | -84.8 | 79 | -171.9 | -58.7 | -65.8 | -10.2 | 0 | 0 | 112.2 | G184 A213 S216 E220 V221 V222 | G184-Q218 VanDerWaalsContact CA-CD 3.43Å; A213-Q218 HydrophobicContact CB-CB 4.43Å; A213-Q218 PolarHBondContact O-N 3.01Å; S216-Q218 WeakPolarHBondContact OG-CG 3.34Å; Q218-E220 PolarHBondContact O-N 3.43Å; Q218-V221 HydrophobicContact CB-CB 4.14Å; Q218-V221 HydrophobicContact CB-CG2 4.24Å; Q218-V221 PolarHBondContact O-N 3.25Å; Q218-V222 WeakPolarHBondContact O-CG2 3.47Å; Q218-V222 PolarHBondContact O-N 3.39Å | ||
| 219 | I | 95.1 | Very high | 93.9 | Very high | 50 Ų | 50 | 38.2 Ų | 38.2 | 26% | 0.256 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.7 | -45.8 | -173.4 | -59.8 | 161.9 | 0 | 0 | 0 | 112.9 | G217 V221 V222 K223 A253 V254 E257 | G217-I219 PolarHBondContact O-N 2.93Å; I219-V221 VanDerWaalsContact C-N 3.28Å; I219-V221 PolarHBondContact O-N 3.41Å; I219-V222 WeakPolarHBondContact O-CB 3.48Å; I219-V222 PolarHBondContact O-N 3.39Å; I219-K223 HydrophobicContact CG2-CD 4.11Å; I219-K223 HydrophobicContact CG2-CG 4.41Å; I219-K223 WeakPolarHBondContact O-CG 3.42Å; I219-K223 PolarHBondContact O-N 3.34Å; I219-A253 HydrophobicContact CD1-CB 3.41Å; I219-A253 VanDerWaalsContact CD1-CB 3.41Å; I219-A253 HydrophobicContact CG1-CB 4.11Å; I219-V254 HydrophobicContact CG1-CG2 3.8Å; I219-E257 HydrophobicContact CG2-CG 4.09Å |
| 220 | E | 95.4 | Very high | 93.7 | Very high | 117 Ų | 117 | 39.2 Ų | 39.2 | 55% | 0.547 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.9 | -32.2 | -176.5 | -65.2 | -54.7 | 127.7 | 0 | 0 | 112.4 | L186 Q218 Y224 | L186-E220 HydrophobicContact CD2-CB 4.32Å; Q218-E220 PolarHBondContact O-N 3.43Å; E220-Y224 WeakPolarHBondContact O-CB 3.39Å; E220-Y224 PolarHBondContact O-N 3.41Å; E220-Y224 VanDerWaalsContact O-N 3.11Å |
| 221 | V | 95.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70 | -44.9 | 172.2 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | A181 L186 L189 A213 Q218 I219 K223 Y224 L225 | A181-V221 HydrophobicContact CB-CG1 4.09Å; L186-V221 HydrophobicContact CB-CG2 4.44Å; L186-V221 HydrophobicContact CD1-CG2 4.45Å; L189-V221 HydrophobicContact CD1-CG1 3.97Å; A213-V221 HydrophobicContact CB-CB 4.22Å; A213-V221 HydrophobicContact CB-CG1 3.81Å; Q218-V221 HydrophobicContact CB-CB 4.14Å; Q218-V221 HydrophobicContact CB-CG2 4.24Å; Q218-V221 PolarHBondContact O-N 3.25Å; I219-V221 VanDerWaalsContact C-N 3.28Å; I219-V221 PolarHBondContact O-N 3.41Å; V221-K223 PolarHBondContact O-N 3.35Å; V221-Y224 PolarHBondContact O-N 2.93Å; V221-L225 HydrophobicContact CG1-CD1 3.8Å; V221-L225 HydrophobicContact CG1-CG 4.12Å; V221-L225 VanDerWaalsContact O-CG 3.3Å; V221-L225 WeakPolarHBondContact O-CG 3.38Å; V221-L225 PolarHBondContact O-N 3.1Å |
| 222 | V | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.9 | -49.9 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | L210 A213 Q218 I219 Y224 L225 L226 V254 L258 | L210-V222 HydrophobicContact CD1-CB 4.4Å; L210-V222 HydrophobicContact CD1-CG1 3.95Å; L210-V222 HydrophobicContact CD1-CG2 4.29Å; A213-V222 HydrophobicContact CB-CG2 3.77Å; Q218-V222 WeakPolarHBondContact O-CG2 3.47Å; Q218-V222 PolarHBondContact O-N 3.39Å; I219-V222 WeakPolarHBondContact O-CB 3.48Å; I219-V222 PolarHBondContact O-N 3.39Å; V222-Y224 VanDerWaalsContact C-N 3.3Å; V222-Y224 PolarHBondContact O-N 3.48Å; V222-L225 PolarHBondContact O-N 2.86Å; V222-L226 HydrophobicContact CG1-CD1 3.77Å; V222-L226 HydrophobicContact CG1-CG 4.3Å; V222-L226 WeakPolarHBondContact O-CB 3.31Å; V222-L226 VanDerWaalsContact O-CG 3.24Å; V222-L226 WeakPolarHBondContact O-CG 3.22Å; V222-L226 PolarHBondContact O-N 2.89Å; V222-V254 HydrophobicContact CG1-CG1 4.43Å; V222-V254 HydrophobicContact CG2-CG1 3.96Å; V222-V254 HydrophobicContact CG2-CG2 4.49Å; V222-L258 HydrophobicContact CG1-CD2 4.07Å; V222-L258 HydrophobicContact CG1-CG 4.47Å |
| 223 | K | 95.4 | Very high | 93.5 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -43.1 | 176.6 | -75.2 | 177.1 | 176.5 | 173.8 | 0 | 112.6 | I219 V221 R227 E257 | I219-K223 HydrophobicContact CG2-CD 4.11Å; I219-K223 HydrophobicContact CG2-CG 4.41Å; I219-K223 WeakPolarHBondContact O-CG 3.42Å; I219-K223 PolarHBondContact O-N 3.34Å; V221-K223 PolarHBondContact O-N 3.35Å; K223-R227 VanDerWaalsContact O-CG 3.28Å; K223-R227 WeakPolarHBondContact O-CG 3.07Å; K223-R227 PolarHBondContact O-N 3.32Å; K223-R227 VanDerWaalsContact O-N 3.13Å; K223-E257 WeakPolarHBondContact CE-OE1 3.32Å; K223-E257 WeakPolarHBondContact CE-OE2 3.06Å; K223-E257 IonicContact NZ-OE1 2.73Å; K223-E257 PolarHBondContact NZ-OE1 3.27Å; K223-E257 IonicContact NZ-OE2 3.9Å |
| 224 | Y | 95.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -46.7 | 177.9 | 177.6 | -97.9 | 0 | 0 | 0 | 112 | L186 L189 K190 E220 V221 V222 L226 R227 M228 | L186-Y224 HydrophobicContact CD1-CD1 4.18Å; L186-Y224 HydrophobicContact CD1-CD2 4.37Å; L186-Y224 HydrophobicContact CD1-CG 3.8Å; L189-Y224 HydrophobicContact CD2-CD1 3.35Å; L189-Y224 HydrophobicContact CD2-CE1 3.44Å; L189-Y224 VanDerWaalsContact CD2-CE1 3.44Å; K190-Y224 HydrophobicContact CD-CE2 4.42Å; K190-Y224 HydrophobicContact CG-CD2 4.29Å; K190-Y224 HydrophobicContact CG-CE1 4.25Å; K190-Y224 HydrophobicContact CG-CE2 3.73Å; E220-Y224 WeakPolarHBondContact O-CB 3.39Å; E220-Y224 PolarHBondContact O-N 3.41Å; E220-Y224 VanDerWaalsContact O-N 3.11Å; V221-Y224 PolarHBondContact O-N 2.93Å; V222-Y224 VanDerWaalsContact C-N 3.3Å; V222-Y224 PolarHBondContact O-N 3.48Å; Y224-L226 PolarHBondContact O-N 3.41Å; Y224-R227 PolarHBondContact O-N 3.39Å; Y224-M228 HydrophobicContact CD1-CG 4.39Å; Y224-M228 HydrophobicContact CE1-CG 3.94Å; Y224-M228 HydrophobicContact CE2-CG 4.15Å; Y224-M228 HydrophobicContact CE2-SD 4.34Å; Y224-M228 WeakPolarHBondContact O-CG 3.38Å; Y224-M228 PolarHBondContact O-N 3.49Å; Y224-M228 VanDerWaalsContact O-N 3.1Å |
| 225 | L | 94.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 178.9 | -68.9 | 173.8 | 0 | 0 | 0 | 111.7 | L189 L199 L209 L210 A213 V221 V222 R227 M228 G229 A230 | L189-L225 HydrophobicContact CD2-CD2 4.37Å; L199-L225 HydrophobicContact CD2-CD2 3.77Å; L209-L225 HydrophobicContact CB-CD1 3.75Å; L209-L225 HydrophobicContact CB-CD2 4.16Å; L209-L225 HydrophobicContact CD1-CD2 4.02Å; L210-L225 HydrophobicContact CD1-CB 4.38Å; L210-L225 HydrophobicContact CD1-CD1 4.45Å; A213-L225 HydrophobicContact CB-CD1 4.4Å; V221-L225 HydrophobicContact CG1-CD1 3.8Å; V221-L225 HydrophobicContact CG1-CG 4.12Å; V221-L225 VanDerWaalsContact O-CG 3.3Å; V221-L225 WeakPolarHBondContact O-CG 3.38Å; V221-L225 PolarHBondContact O-N 3.1Å; V222-L225 PolarHBondContact O-N 2.86Å; L225-R227 PolarHBondContact O-N 2.95Å; L225-M228 CarbonylContact O-C 3.3Å; L225-M228 PolarHBondContact O-N 3.15Å; L225-M228 VanDerWaalsContact O-N 3.1Å; L225-G229 PolarHBondContact O-N 3.43Å; L225-A230 HydrophobicContact CB-CB 4.11Å; L225-A230 VanDerWaalsContact O-CB 3.24Å; L225-A230 WeakPolarHBondContact O-CB 3.24Å; L225-A230 PolarHBondContact O-N 3.11Å; L225-A230 VanDerWaalsContact O-N 3.11Å |
| 226 | L | 93.3 | Very high | 93.4 | Very high | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.3 | -67.4 | 172.7 | 0 | 0 | 0 | 112 | L210 V222 Y224 M228 G229 I232 L258 A261 | L210-L226 HydrophobicContact CD1-CD2 4.28Å; L210-L226 HydrophobicContact CD1-CG 4.35Å; L210-L226 HydrophobicContact CD2-CD2 4.27Å; V222-L226 HydrophobicContact CG1-CD1 3.77Å; V222-L226 HydrophobicContact CG1-CG 4.3Å; V222-L226 WeakPolarHBondContact O-CB 3.31Å; V222-L226 VanDerWaalsContact O-CG 3.24Å; V222-L226 WeakPolarHBondContact O-CG 3.22Å; V222-L226 PolarHBondContact O-N 2.89Å; Y224-L226 PolarHBondContact O-N 3.41Å; L226-M228 PolarHBondContact O-N 2.88Å; L226-G229 PolarHBondContact O-N 2.96Å; L226-G229 VanDerWaalsContact O-N 3.08Å; L226-I232 HydrophobicContact CD2-CB 4.44Å; L226-I232 HydrophobicContact CD2-CD1 3.85Å; L226-I232 HydrophobicContact CD2-CG1 3.57Å; L226-I232 HydrophobicContact CD2-CG2 4.46Å; L226-L258 HydrophobicContact CD1-CD2 4.43Å; L226-A261 HydrophobicContact CD1-CB 3.83Å |
| 227 | R | 93.6 | Very high | 93.5 | Very high | 194 Ų | 194 | 55.4 Ų | 55.4 | 73% | 0.732 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.9 | -27.9 | 174.7 | -74.8 | 175.4 | -171.9 | 168.9 | 5.2 | 113.3 | K223 Y224 L225 G229 | K223-R227 VanDerWaalsContact O-CG 3.28Å; K223-R227 WeakPolarHBondContact O-CG 3.07Å; K223-R227 PolarHBondContact O-N 3.32Å; K223-R227 VanDerWaalsContact O-N 3.13Å; Y224-R227 PolarHBondContact O-N 3.39Å; L225-R227 PolarHBondContact O-N 2.95Å; R227-G229 PolarHBondContact O-N 3.41Å |
| 228 | M | 90.5 | Very high | 93.4 | Very high | 99 Ų | 99 | 59.3 Ų | 59.3 | 49% | 0.488 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 6.3 | 176.3 | -61.6 | -71.2 | 73.4 | 0 | 0 | 113.4 | L199 Y224 L225 L226 | L199-M228 HydrophobicContact CD1-CB 3.75Å; L199-M228 HydrophobicContact CD1-CG 4.47Å; Y224-M228 HydrophobicContact CD1-CG 4.39Å; Y224-M228 HydrophobicContact CE1-CG 3.94Å; Y224-M228 HydrophobicContact CE2-CG 4.15Å; Y224-M228 HydrophobicContact CE2-SD 4.34Å; Y224-M228 WeakPolarHBondContact O-CG 3.38Å; Y224-M228 PolarHBondContact O-N 3.49Å; Y224-M228 VanDerWaalsContact O-N 3.1Å; L225-M228 CarbonylContact O-C 3.3Å; L225-M228 PolarHBondContact O-N 3.15Å; L225-M228 VanDerWaalsContact O-N 3.1Å; L226-M228 PolarHBondContact O-N 2.88Å |
| 229 | G | 87.4 | Confident | 93.2 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 63% | 0.629 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 24.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L225 L226 R227 E231 | L225-G229 PolarHBondContact O-N 3.43Å; L226-G229 PolarHBondContact O-N 2.96Å; L226-G229 VanDerWaalsContact O-N 3.08Å; R227-G229 PolarHBondContact O-N 3.41Å; G229-E231 PolarHBondContact O-N 3.46Å |
| 230 | A | 90.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | trans | -59.9 | 135.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L225 I232 | L225-A230 HydrophobicContact CB-CB 4.11Å; L225-A230 VanDerWaalsContact O-CB 3.24Å; L225-A230 WeakPolarHBondContact O-CB 3.24Å; L225-A230 PolarHBondContact O-N 3.11Å; L225-A230 VanDerWaalsContact O-N 3.11Å; A230-I232 PolarHBondContact O-N 3.28Å | ||
| 231 | E | 91.3 | Very high | 93.3 | Very high | 135 Ų | 135 | 49.9 Ų | 49.9 | 63% | 0.631 | 27% | 0.266 | S | S | * | . | trans | -66.6 | 118.9 | 178.4 | -67.7 | -173.8 | -178.9 | 0 | 0 | 110.6 | G229 E234 | G229-E231 PolarHBondContact O-N 3.46Å; E231-E234 HydrophobicContact CB-CB 3.92Å | ||
| 232 | I | 93.7 | Very high | 93.3 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -41.8 | -170.6 | -51 | -171.8 | 0 | 0 | 0 | 111.8 | L226 A230 L258 A261 A263 | L226-I232 HydrophobicContact CD2-CB 4.44Å; L226-I232 HydrophobicContact CD2-CD1 3.85Å; L226-I232 HydrophobicContact CD2-CG1 3.57Å; L226-I232 HydrophobicContact CD2-CG2 4.46Å; A230-I232 PolarHBondContact O-N 3.28Å; I232-L258 HydrophobicContact CG2-CD2 4.3Å; I232-A261 HydrophobicContact CD1-CB 3.84Å; I232-A261 WeakPolarHBondContact CD1-O 2.92Å; I232-A263 HydrophobicContact CG2-CB 3.61Å |
| 233 | D | 93.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 20.3 | -175 | -67.8 | -40.2 | 0 | 0 | 0 | 112.8 | P235 T241 N264 | D233-P235 WeakPolarHBondContact O-CD 3.35Å; D233-T241 HydrophobicContact CB-CG2 4.38Å; D233-N264 PolarHBondContact OD1-N 2.91Å; D233-N264 VanDerWaalsContact OD1-N 3.15Å; D233-N264 PolarHBondContact OD2-N 3.35Å |
| 234 | E | 93.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 20% | 0.201 | 26% | 0.255 | C | S | . | . | trans | -63.2 | 126.9 | 176.3 | -169.6 | 175.9 | -160.4 | 0 | 0 | 110.3 | K202 H211 E231 | K202-E234 WeakPolarHBondContact CE-OE1 3.36Å; K202-E234 IonicContact NZ-OE1 2.67Å; K202-E234 PolarHBondContact NZ-OE1 3.27Å; H211-E234 PolarHBondContact CE1-O 3.34Å; H211-E234 PolarHBondContact NE2-O 3.19Å; E231-E234 HydrophobicContact CB-CB 3.92Å | ||
| 235 | P | 94.1 | Very high | 93.4 | Very high | 67 Ų | 67 | 46 Ų | 46 | 44% | 0.435 | 25% | 0.25 | S | S | . | . | trans | -85.3 | 144.6 | 179.3 | 30.3 | -31.8 | 0 | 0 | 0 | 112.5 | D233 | D233-P235 WeakPolarHBondContact O-CD 3.35Š| ||
| 236 | N | 93.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.048 | 25% | 0.25 | C | C | . | . | trans | -78.1 | -174.5 | 163.7 | 73.2 | 11.2 | 0 | 0 | 0 | 112.3 | G206 Y207 F238 G239 N240 | G206-N236 VanDerWaalsContact O-CA 3.31Å; G206-N236 WeakPolarHBondContact O-CA 3.34Å; G206-N236 VanDerWaalsContact O-CB 3.29Å; G206-N236 WeakPolarHBondContact O-CB 3.26Å; Y207-N236 HydrophobicContact CD2-CB 4.4Å; Y207-N236 WeakPolarHBondContact CE2-ND2 3.47Å; N236-F238 PolarHBondContact O-N 3.33Å; N236-F238 WeakPolarHBondContact OD1-CB 3.47Å; N236-F238 PolarHBondContact OD1-N 3.21Å; N236-G239 PolarHBondContact O-N 3.49Å; N236-G239 PolarHBondContact OD1-N 2.84Å; N236-N240 PolarHBondContact N-O 3.16Å; N236-N240 WeakPolarHBondContact OD1-CB 3.47Å; N236-N240 PolarHBondContact OD1-N 3.42Å; N236-N240 PolarHBondContact OD1-O 2.96Å | ||
| 237 | A | 93.2 | Very high | 93.5 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 51% | 0.512 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -4.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K205 | K205-A237 WeakPolarHBondContact O-CB 3.39Å; K205-A237 PolarHBondContact O-N 3.33Å; K205-A237 VanDerWaalsContact O-N 3.08Å |
| 238 | F | 91.1 | Very high | 93.5 | Very high | 100 Ų | 100 | 37.9 Ų | 37.9 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 6.2 | 175 | -52 | -74.6 | 0 | 0 | 0 | 112.5 | K205 Y207 N236 N240 D270 | K205-F238 HydrophobicContact CB-CE2 4.37Å; K205-F238 HydrophobicContact CD-CE2 4.42Å; Y207-F238 HydrophobicContact CE2-CE2 4.33Å; N236-F238 PolarHBondContact O-N 3.33Å; N236-F238 WeakPolarHBondContact OD1-CB 3.47Å; N236-F238 PolarHBondContact OD1-N 3.21Å; F238-N240 PolarHBondContact O-N 3.12Å; F238-D270 VanDerWaalsContact C-CG 3.49Å; F238-D270 WeakPolarHBondContact O-CB 3.49Å; F238-D270 PolarHBondContact O-N 3.15Å |
| 239 | G | 92.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 76.1 | 5.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N236 N269 D270 | N236-G239 PolarHBondContact O-N 3.49Å; N236-G239 PolarHBondContact OD1-N 2.84Å; G239-N269 VanDerWaalsContact O-CA 3.28Å; G239-N269 WeakPolarHBondContact O-CA 3.42Å; G239-N269 VanDerWaalsContact O-CB 3.28Å; G239-N269 WeakPolarHBondContact O-CB 3.35Å; G239-D270 PolarHBondContact N-OD2 3.07Å |
| 240 | N | 95.5 | Very high | 93.9 | Very high | 25 Ų | 25 | 33 Ų | 33 | 13% | 0.134 | 18% | 0.182 | C | C | . | . | trans | -80.9 | 132.1 | -179.4 | -65.8 | -49.3 | 0 | 0 | 0 | 110 | H211 N236 F238 H244 N269 | H211-N240 PolarHBondContact NE2-O 3.35Å; N236-N240 PolarHBondContact N-O 3.16Å; N236-N240 WeakPolarHBondContact OD1-CB 3.47Å; N236-N240 PolarHBondContact OD1-N 3.42Å; N236-N240 PolarHBondContact OD1-O 2.96Å; F238-N240 PolarHBondContact O-N 3.12Å; N240-H244 HydrophobicContact CB-CB 3.97Å; N240-N269 WeakPolarHBondContact OD1-CB 3.29Å; N240-N269 PolarHBondContact OD1-ND2 3.17Å | ||
| 241 | T | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -85.1 | 171 | 169.4 | 68.2 | 0 | 0 | 0 | 0 | 111.5 | D233 L243 H244 I245 Q267 | D233-T241 HydrophobicContact CB-CG2 4.38Å; T241-L243 PolarHBondContact O-N 2.86Å; T241-L243 PolarHBondContact OG1-N 3.24Å; T241-H244 PolarHBondContact N-ND1 2.76Å; T241-H244 VanDerWaalsContact N-ND1 3.17Å; T241-H244 WeakPolarHBondContact O-CB 3.44Å; T241-H244 PolarHBondContact O-N 3.16Å; T241-H244 VanDerWaalsContact O-N 3.11Å; T241-H244 PolarHBondContact OG1-ND1 3.43Å; T241-I245 PolarHBondContact O-N 3.2Å; T241-Q267 HydrophobicContact CG2-CB 4.5Å; T241-Q267 HydrophobicContact CG2-CG 3.91Å | ||
| 242 | A | 95.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.7 | -34.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L210 H211 A214 I245 A246 L258 | L210-A242 HydrophobicContact CB-CB 4.21Å; L210-A242 HydrophobicContact CD2-CB 3.82Å; L210-A242 HydrophobicContact CG-CB 3.64Å; H211-A242 PolarHBondContact CD2-N 2.88Å; H211-A242 PolarHBondContact NE2-N 2.58Å; A214-A242 HydrophobicContact CB-CB 4.06Å; A242-I245 PolarHBondContact O-N 2.82Å; A242-A246 PolarHBondContact O-N 3.16Å; A242-L258 HydrophobicContact CB-CD1 3.96Å; A242-L258 HydrophobicContact CB-CD2 4.46Å |
| 243 | L | 96.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 176.6 | -175.6 | 59.7 | 0 | 0 | 0 | 111.9 | T241 I245 A246 C247 A255 L258 V259 A263 V265 P275 L292 | T241-L243 PolarHBondContact O-N 2.86Å; T241-L243 PolarHBondContact OG1-N 3.24Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 PolarHBondContact O-N 3.05Å; L243-A246 PolarHBondContact O-N 3.09Å; L243-C247 WeakPolarHBondContact O-CB 3.35Å; L243-C247 PolarHBondContact O-N 3.01Å; L243-C247 PolarHBondContact O-SG 2.85Å; L243-A255 HydrophobicContact CD1-CB 3.93Å; L243-L258 HydrophobicContact CB-CD1 4.31Å; L243-L258 HydrophobicContact CD1-CB 4.35Å; L243-L258 HydrophobicContact CD1-CD1 4.49Å; L243-V259 HydrophobicContact CD1-CG2 3.97Å; L243-V259 HydrophobicContact CD2-CG2 4.02Å; L243-A263 HydrophobicContact CD2-CB 4.08Å; L243-V265 HydrophobicContact CD2-CG1 4.49Å; L243-P275 HydrophobicContact CB-CG 4.47Å; L243-P275 HydrophobicContact CD2-CB 4.24Å; L243-P275 HydrophobicContact CD2-CG 3.91Å; L243-P275 HydrophobicContact CG-CB 4.03Å; L243-P275 HydrophobicContact CG-CG 4Å; L243-L292 HydrophobicContact CD2-CD2 4.08Å; L243-L292 HydrophobicContact CG-CD2 4.49Å |
| 244 | H | 96.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.6 | -43.9 | 174.7 | -70.5 | 83.6 | 0 | 0 | 0 | 111.8 | N240 T241 C247 Y248 Q267 F273 P275 | N240-H244 HydrophobicContact CB-CB 3.97Å; T241-H244 PolarHBondContact N-ND1 2.76Å; T241-H244 VanDerWaalsContact N-ND1 3.17Å; T241-H244 WeakPolarHBondContact O-CB 3.44Å; T241-H244 PolarHBondContact O-N 3.16Å; T241-H244 VanDerWaalsContact O-N 3.11Å; T241-H244 PolarHBondContact OG1-ND1 3.43Å; H244-C247 PolarHBondContact O-N 3.03Å; H244-Y248 WeakPolarHBondContact O-CB 3.41Å; H244-Y248 PolarHBondContact O-N 3Å; H244-Q267 PolarHBondContact CE1-O 3.4Å; H244-Q267 PolarHBondContact NE2-O 3.18Å; H244-Q267 VanDerWaalsContact NE2-O 3.11Å; H244-F273 PolarHBondContact NE2-O 2.94Å; H244-P275 WeakPolarHBondContact NE2-CD 3.44Å |
| 245 | I | 94.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.6 | -45.9 | -179 | -61.5 | 174.4 | 0 | 0 | 0 | 110.7 | Y207 H211 A215 T241 A242 L243 C247 Y248 L249 | Y207-I245 HydrophobicContact CD1-CD1 3.95Å; Y207-I245 HydrophobicContact CE1-CD1 3.49Å; Y207-I245 VanDerWaalsContact CE1-CD1 3.49Å; H211-I245 HydrophobicContact CB-CD1 3.57Å; H211-I245 VanDerWaalsContact CD2-CD1 3.46Å; H211-I245 WeakPolarHBondContact CD2-CD1 3.38Å; A215-I245 HydrophobicContact CB-CG2 3.79Å; T241-I245 PolarHBondContact O-N 3.2Å; A242-I245 PolarHBondContact O-N 2.82Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 PolarHBondContact O-N 3.05Å; I245-C247 VanDerWaalsContact C-N 3.31Å; I245-C247 PolarHBondContact O-N 3.44Å; I245-Y248 PolarHBondContact O-N 2.97Å; I245-L249 HydrophobicContact CG2-CD1 3.85Å; I245-L249 PolarHBondContact O-N 2.65Å |
| 246 | A | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A214 A242 L243 G250 Q251 V254 A255 L258 | A214-A246 HydrophobicContact CB-CB 4.42Å; A242-A246 PolarHBondContact O-N 3.16Å; L243-A246 PolarHBondContact O-N 3.09Å; A246-G250 PolarHBondContact O-N 2.87Å; A246-Q251 HydrophobicContact CB-CB 4.22Å; A246-Q251 PolarHBondContact O-N 3.13Å; A246-V254 HydrophobicContact CB-CB 4.43Å; A246-V254 HydrophobicContact CB-CG1 4.22Å; A246-A255 HydrophobicContact CB-CB 4.26Å; A246-L258 HydrophobicContact CB-CD1 4.48Å |
| 247 | C | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.4 | -36.9 | 177 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | L243 H244 I245 A279 C288 | L243-C247 WeakPolarHBondContact O-CB 3.35Å; L243-C247 PolarHBondContact O-N 3.01Å; L243-C247 PolarHBondContact O-SG 2.85Å; H244-C247 PolarHBondContact O-N 3.03Å; I245-C247 VanDerWaalsContact C-N 3.31Å; I245-C247 PolarHBondContact O-N 3.44Å; C247-A279 HydrophobicContact CB-CB 4.12Å; C247-C288 HydrophobicContact CB-CB 4.2Å |
| 248 | Y | 93.1 | Very high | 95 | Very high | 57 Ų | 57 | 25.6 Ų | 25.6 | 22% | 0.224 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -47.2 | 176.2 | -173.1 | -115.7 | 0 | 0 | 0 | 112.4 | H244 I245 G250 V278 V281 S282 L1070 | H244-Y248 WeakPolarHBondContact O-CB 3.41Å; H244-Y248 PolarHBondContact O-N 3Å; I245-Y248 PolarHBondContact O-N 2.97Å; Y248-G250 VanDerWaalsContact C-N 3.29Å; Y248-V278 HydrophobicContact CD2-CG1 3.63Å; Y248-V278 HydrophobicContact CG-CG1 3.89Å; Y248-V281 HydrophobicContact CE2-CG1 4.46Å; Y248-S282 VanDerWaalsContact O-CB 3.22Å; Y248-S282 WeakPolarHBondContact O-CB 3.37Å; Y248-S282 PolarHBondContact O-OG 3.49Å; Y248-L1070 HydrophobicContact CD1-CD1 4.22Å; Y248-L1070 HydrophobicContact CD1-CD2 4.46Å; Y248-L1070 HydrophobicContact CD2-CD1 3.89Å; Y248-L1070 HydrophobicContact CE1-CB 3.89Å; Y248-L1070 HydrophobicContact CE1-CD1 3.77Å; Y248-L1070 HydrophobicContact CE1-CD2 4.15Å; Y248-L1070 HydrophobicContact CE1-CG 4.14Å; Y248-L1070 HydrophobicContact CE2-CD1 3.39Å; Y248-L1070 HydrophobicContact CG-CD1 4.28Å; Y248-L1070 VanDerWaalsContact OH-CB 3.25Å; Y248-L1070 WeakPolarHBondContact OH-CB 3.31Å |
| 249 | L | 93 | Very high | 95.3 | Very high | 42 Ų | 42 | 21.6 Ų | 21.6 | 22% | 0.22 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -84.9 | -7 | -174.9 | -63.8 | 172.4 | 0 | 0 | 0 | 112.8 | A215 I245 Q251 Y1074 | A215-L249 HydrophobicContact CB-CD1 3.91Å; A215-L249 WeakPolarHBondContact O-CD1 3.39Å; I245-L249 HydrophobicContact CG2-CD1 3.85Å; I245-L249 PolarHBondContact O-N 2.65Å; L249-Q251 HydrophobicContact CB-CG 4.16Å; L249-Y1074 HydrophobicContact CD1-CE2 4.2Å; L249-Y1074 HydrophobicContact CD2-CE2 4.11Å |
| 250 | G | 92.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 14% | 0.144 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 31.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A246 Y248 D252 | A246-G250 PolarHBondContact O-N 2.87Å; Y248-G250 VanDerWaalsContact C-N 3.29Å; G250-D252 VanDerWaalsContact C-N 3.32Å; G250-D252 PolarHBondContact O-N 3.5Å; G250-D252 VanDerWaalsContact O-N 3.16Å |
| 251 | Q | 95.1 | Very high | 95.3 | Very high | 60 Ų | 60 | 27.7 Ų | 27.7 | 28% | 0.28 | 15% | 0.154 | S | C | . | . | trans | -85.7 | 72.7 | 176.6 | -56.4 | -64.2 | -11.5 | 0 | 0 | 109.8 | A214 A246 L249 A253 V254 A255 | A214-Q251 WeakPolarHBondContact O-CG 3.18Å; A246-Q251 HydrophobicContact CB-CB 4.22Å; A246-Q251 PolarHBondContact O-N 3.13Å; L249-Q251 HydrophobicContact CB-CG 4.16Å; Q251-A253 PolarHBondContact O-N 3.1Å; Q251-V254 HydrophobicContact CB-CB 4.21Å; Q251-V254 HydrophobicContact CB-CG2 4.44Å; Q251-V254 PolarHBondContact O-N 3.3Å; Q251-A255 PolarHBondContact O-N 2.86Å | ||
| 252 | D | 94.6 | Very high | 95.1 | Very high | 59 Ų | 59 | 30.4 Ų | 30.4 | 32% | 0.316 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.1 | -42.8 | -174.6 | 61.8 | -61.7 | 0 | 0 | 0 | 112.5 | G250 V254 A255 I256 L287 C288 | G250-D252 VanDerWaalsContact C-N 3.32Å; G250-D252 PolarHBondContact O-N 3.5Å; G250-D252 VanDerWaalsContact O-N 3.16Å; D252-V254 VanDerWaalsContact C-N 3.31Å; D252-V254 PolarHBondContact O-N 2.62Å; D252-A255 WeakPolarHBondContact O-CB 3.46Å; D252-A255 PolarHBondContact O-N 2.86Å; D252-A255 VanDerWaalsContact O-N 3.12Å; D252-I256 VanDerWaalsContact O-CG1 3.32Å; D252-I256 WeakPolarHBondContact O-CG1 3.32Å; D252-I256 PolarHBondContact O-N 2.85Å; D252-L287 HydrophobicContact CB-CB 3.93Å; D252-L287 HydrophobicContact CB-CD1 4.48Å; D252-C288 VanDerWaalsContact CA-SG 3.53Å |
| 253 | A | 95.6 | Very high | 95.1 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 30% | 0.298 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.5 | -35.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I219 Q251 E257 | I219-A253 HydrophobicContact CD1-CB 3.41Å; I219-A253 VanDerWaalsContact CD1-CB 3.41Å; I219-A253 HydrophobicContact CG1-CB 4.11Å; Q251-A253 PolarHBondContact O-N 3.1Å; A253-E257 WeakPolarHBondContact O-CG 3.46Å; A253-E257 PolarHBondContact O-N 3.05Å |
| 254 | V | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.5 | -41 | 172.6 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | A214 I219 V222 A246 Q251 D252 I256 E257 L258 | A214-V254 HydrophobicContact CB-CG1 3.94Å; I219-V254 HydrophobicContact CG1-CG2 3.8Å; V222-V254 HydrophobicContact CG1-CG1 4.43Å; V222-V254 HydrophobicContact CG2-CG1 3.96Å; V222-V254 HydrophobicContact CG2-CG2 4.49Å; A246-V254 HydrophobicContact CB-CB 4.43Å; A246-V254 HydrophobicContact CB-CG1 4.22Å; Q251-V254 HydrophobicContact CB-CB 4.21Å; Q251-V254 HydrophobicContact CB-CG2 4.44Å; Q251-V254 PolarHBondContact O-N 3.3Å; D252-V254 VanDerWaalsContact C-N 3.31Å; D252-V254 PolarHBondContact O-N 2.62Å; V254-I256 VanDerWaalsContact C-N 3.31Å; V254-I256 PolarHBondContact O-N 3.45Å; V254-E257 PolarHBondContact O-N 3.33Å; V254-L258 HydrophobicContact CG1-CD1 3.81Å; V254-L258 HydrophobicContact CG1-CG 4.11Å; V254-L258 WeakPolarHBondContact O-CG 3.36Å; V254-L258 PolarHBondContact O-N 3.39Å |
| 255 | A | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L243 A246 Q251 D252 E257 L258 V259 L291 | L243-A255 HydrophobicContact CD1-CB 3.93Å; A246-A255 HydrophobicContact CB-CB 4.26Å; Q251-A255 PolarHBondContact O-N 2.86Å; D252-A255 WeakPolarHBondContact O-CB 3.46Å; D252-A255 PolarHBondContact O-N 2.86Å; D252-A255 VanDerWaalsContact O-N 3.12Å; A255-E257 PolarHBondContact O-N 3.38Å; A255-L258 PolarHBondContact O-N 3.01Å; A255-V259 WeakPolarHBondContact O-CB 3.38Å; A255-V259 VanDerWaalsContact O-CG2 3.32Å; A255-V259 WeakPolarHBondContact O-CG2 3.38Å; A255-V259 PolarHBondContact O-N 2.9Å; A255-L291 HydrophobicContact CB-CD2 4.48Å |
| 256 | I | 96.1 | Very high | 95.1 | Very high | 65 Ų | 65 | 35.9 Ų | 35.9 | 33% | 0.333 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -54.9 | -52.2 | 172.7 | -69.1 | 165.1 | 0 | 0 | 0 | 110.6 | D252 V254 L258 V259 N260 L291 | D252-I256 VanDerWaalsContact O-CG1 3.32Å; D252-I256 WeakPolarHBondContact O-CG1 3.32Å; D252-I256 PolarHBondContact O-N 2.85Å; V254-I256 VanDerWaalsContact C-N 3.31Å; V254-I256 PolarHBondContact O-N 3.45Å; I256-L258 PolarHBondContact O-N 3.04Å; I256-V259 PolarHBondContact O-N 3.47Å; I256-N260 WeakPolarHBondContact CG2-ND2 3.48Å; I256-N260 VanDerWaalsContact O-CB 3.32Å; I256-N260 WeakPolarHBondContact O-CB 3.32Å; I256-N260 PolarHBondContact O-N 2.88Å; I256-N260 PolarHBondContact O-ND2 3.17Å; I256-L291 HydrophobicContact CB-CD1 3.98Å; I256-L291 HydrophobicContact CD1-CD1 4.22Å; I256-L291 HydrophobicContact CG1-CD1 3.09Å |
| 257 | E | 96.3 | Very high | 95.1 | Very high | 56 Ų | 56 | 38.8 Ų | 38.8 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.2 | -38.9 | -176.5 | -68.3 | -73.5 | 173.5 | 0 | 0 | 112.2 | I219 K223 A253 V254 A255 A261 | I219-E257 HydrophobicContact CG2-CG 4.09Å; K223-E257 WeakPolarHBondContact CE-OE1 3.32Å; K223-E257 WeakPolarHBondContact CE-OE2 3.06Å; K223-E257 IonicContact NZ-OE1 2.73Å; K223-E257 PolarHBondContact NZ-OE1 3.27Å; K223-E257 IonicContact NZ-OE2 3.9Å; A253-E257 WeakPolarHBondContact O-CG 3.46Å; A253-E257 PolarHBondContact O-N 3.05Å; V254-E257 PolarHBondContact O-N 3.33Å; A255-E257 PolarHBondContact O-N 3.38Å; E257-A261 VanDerWaalsContact O-CB 3.27Å; E257-A261 WeakPolarHBondContact O-CB 3.22Å; E257-A261 PolarHBondContact O-N 2.84Å |
| 258 | L | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 175.4 | -70.3 | 173.2 | 0 | 0 | 0 | 111.8 | L210 V222 L226 I232 A242 L243 A246 V254 A255 I256 A261 G262 A263 | L210-L258 HydrophobicContact CD1-CD2 4.17Å; L210-L258 HydrophobicContact CD2-CD2 3.95Å; L210-L258 HydrophobicContact CG-CD2 4.22Å; V222-L258 HydrophobicContact CG1-CD2 4.07Å; V222-L258 HydrophobicContact CG1-CG 4.47Å; L226-L258 HydrophobicContact CD1-CD2 4.43Å; I232-L258 HydrophobicContact CG2-CD2 4.3Å; A242-L258 HydrophobicContact CB-CD1 3.96Å; A242-L258 HydrophobicContact CB-CD2 4.46Å; L243-L258 HydrophobicContact CB-CD1 4.31Å; L243-L258 HydrophobicContact CD1-CB 4.35Å; L243-L258 HydrophobicContact CD1-CD1 4.49Å; A246-L258 HydrophobicContact CB-CD1 4.48Å; V254-L258 HydrophobicContact CG1-CD1 3.81Å; V254-L258 HydrophobicContact CG1-CG 4.11Å; V254-L258 WeakPolarHBondContact O-CG 3.36Å; V254-L258 PolarHBondContact O-N 3.39Å; A255-L258 PolarHBondContact O-N 3.01Å; I256-L258 PolarHBondContact O-N 3.04Å; L258-A261 PolarHBondContact O-N 3.02Å; L258-G262 PolarHBondContact O-N 3.11Å; L258-A263 HydrophobicContact CB-CB 4.16Å; L258-A263 WeakPolarHBondContact O-CB 3.22Å; L258-A263 PolarHBondContact O-N 2.85Å |
| 259 | V | 96.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | L243 A255 I256 A261 G262 V265 L291 N295 | L243-V259 HydrophobicContact CD1-CG2 3.97Å; L243-V259 HydrophobicContact CD2-CG2 4.02Å; A255-V259 WeakPolarHBondContact O-CB 3.38Å; A255-V259 VanDerWaalsContact O-CG2 3.32Å; A255-V259 WeakPolarHBondContact O-CG2 3.38Å; A255-V259 PolarHBondContact O-N 2.9Å; I256-V259 PolarHBondContact O-N 3.47Å; V259-A261 PolarHBondContact O-N 3.16Å; V259-G262 PolarHBondContact O-N 3.39Å; V259-V265 HydrophobicContact CG1-CG1 4.11Å; V259-V265 HydrophobicContact CG2-CG1 3.86Å; V259-L291 HydrophobicContact CB-CD2 4.32Å; V259-L291 HydrophobicContact CG2-CD2 3.79Å; V259-N295 HydrophobicContact CG1-CB 3.96Å |
| 260 | N | 94.5 | Very high | 95.2 | Very high | 115 Ų | 115 | 41.5 Ų | 41.5 | 62% | 0.615 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.6 | -31.3 | 174.8 | -73.4 | -19.3 | 0 | 0 | 0 | 112.8 | I256 G262 | I256-N260 WeakPolarHBondContact CG2-ND2 3.48Å; I256-N260 VanDerWaalsContact O-CB 3.32Å; I256-N260 WeakPolarHBondContact O-CB 3.32Å; I256-N260 PolarHBondContact O-N 2.88Å; I256-N260 PolarHBondContact O-ND2 3.17Å; N260-G262 PolarHBondContact O-N 3.49Å |
| 261 | A | 93.8 | Very high | 95.1 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L226 I232 E257 L258 V259 | L226-A261 HydrophobicContact CD1-CB 3.83Å; I232-A261 HydrophobicContact CD1-CB 3.84Å; I232-A261 WeakPolarHBondContact CD1-O 2.92Å; E257-A261 VanDerWaalsContact O-CB 3.27Å; E257-A261 WeakPolarHBondContact O-CB 3.22Å; E257-A261 PolarHBondContact O-N 2.84Å; L258-A261 PolarHBondContact O-N 3.02Å; V259-A261 PolarHBondContact O-N 3.16Å |
| 262 | G | 93.5 | Very high | 95.1 | Very high | 57 Ų | 57 | 43.3 Ų | 43.3 | 59% | 0.588 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | 20.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L258 V259 N260 | L258-G262 PolarHBondContact O-N 3.11Å; V259-G262 PolarHBondContact O-N 3.39Å; N260-G262 PolarHBondContact O-N 3.49Å |
| 263 | A | 95.9 | Very high | 95.1 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | trans | -58.2 | 138 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I232 L243 L258 V265 | I232-A263 HydrophobicContact CG2-CB 3.61Å; L243-A263 HydrophobicContact CD2-CB 4.08Å; L258-A263 HydrophobicContact CB-CB 4.16Å; L258-A263 WeakPolarHBondContact O-CB 3.22Å; L258-A263 PolarHBondContact O-N 2.85Å; A263-V265 PolarHBondContact O-N 3.05Å; A263-V265 VanDerWaalsContact O-N 3.07Å | ||
| 264 | N | 95.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 40.8 Ų | 40.8 | 34% | 0.342 | 23% | 0.233 | S | C | . | . | trans | -72.6 | 104.4 | 177.6 | -178.8 | 5 | 0 | 0 | 0 | 111.5 | D233 N266 Q267 | D233-N264 PolarHBondContact OD1-N 2.91Å; D233-N264 VanDerWaalsContact OD1-N 3.15Å; D233-N264 PolarHBondContact OD2-N 3.35Å; N264-N266 PolarHBondContact O-N 3.38Å; N264-N266 VanDerWaalsContact O-N 3.11Å; N264-N266 PolarHBondContact OD1-N 3.46Å; N264-Q267 HydrophobicContact CB-CB 4.1Å; N264-Q267 PolarHBondContact ND2-OE1 3.07Å; N264-Q267 WeakPolarHBondContact O-CB 3.36Å; N264-Q267 PolarHBondContact O-N 3.13Å; N264-Q267 VanDerWaalsContact O-N 3.17Å; N264-Q267 PolarHBondContact OD1-N 3.35Å | ||
| 265 | V | 96.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.4 | 179.6 | -62.9 | 0 | 0 | 0 | 0 | 114.4 | L243 V259 A263 P275 L292 N295 A297 | L243-V265 HydrophobicContact CD2-CG1 4.49Å; V259-V265 HydrophobicContact CG1-CG1 4.11Å; V259-V265 HydrophobicContact CG2-CG1 3.86Å; A263-V265 PolarHBondContact O-N 3.05Å; A263-V265 VanDerWaalsContact O-N 3.07Å; V265-P275 WeakPolarHBondContact O-CD 3.29Å; V265-L292 HydrophobicContact CB-CD2 4.07Å; V265-L292 HydrophobicContact CG1-CD2 4.03Å; V265-N295 HydrophobicContact CG1-CB 4.39Å; V265-A297 HydrophobicContact CB-CB 4.47Å; V265-A297 HydrophobicContact CG2-CB 4.47Å |
| 266 | N | 95.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 21% | 0.214 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 9.7 | -178.3 | -70.4 | -45.1 | 0 | 0 | 0 | 113.3 | N264 P268 G296 A297 D298 | N264-N266 PolarHBondContact O-N 3.38Å; N264-N266 VanDerWaalsContact O-N 3.11Å; N264-N266 PolarHBondContact OD1-N 3.46Å; N266-P268 VanDerWaalsContact O-CD 3.24Å; N266-P268 WeakPolarHBondContact O-CD 3.44Å; N266-G296 PolarHBondContact ND2-O 3.27Å; N266-A297 WeakPolarHBondContact OD1-CA 3.43Å; N266-D298 PolarHBondContact OD1-N 2.8Å |
| 267 | Q | 95.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 29% | 0.29 | 22% | 0.217 | S | C | . | . | trans | -59.5 | 119.8 | 179.6 | -169.7 | 77.3 | 10.4 | 0 | 0 | 110.4 | T241 H244 N264 P275 | T241-Q267 HydrophobicContact CG2-CB 4.5Å; T241-Q267 HydrophobicContact CG2-CG 3.91Å; H244-Q267 PolarHBondContact CE1-O 3.4Å; H244-Q267 PolarHBondContact NE2-O 3.18Å; H244-Q267 VanDerWaalsContact NE2-O 3.11Å; N264-Q267 HydrophobicContact CB-CB 4.1Å; N264-Q267 PolarHBondContact ND2-OE1 3.07Å; N264-Q267 WeakPolarHBondContact O-CB 3.36Å; N264-Q267 PolarHBondContact O-N 3.13Å; N264-Q267 VanDerWaalsContact O-N 3.17Å; N264-Q267 PolarHBondContact OD1-N 3.35Å; Q267-P275 WeakPolarHBondContact O-CD 2.84Å | ||
| 268 | P | 95.6 | Very high | 95.1 | Very high | 49 Ų | 49 | 36 Ų | 36 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | trans | -84.6 | 141.6 | 175.7 | 32.2 | -32.2 | 0 | 0 | 0 | 111.4 | N266 F273 Y301 | N266-P268 VanDerWaalsContact O-CD 3.24Å; N266-P268 WeakPolarHBondContact O-CD 3.44Å; P268-F273 CarbonylContact C-O 3.52Å; P268-F273 WeakPolarHBondContact CA-O 3.5Å; P268-Y301 HydrophobicContact CB-CE1 4.31Å | ||
| 269 | N | 94.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 8% | 0.08 | 21% | 0.209 | C | C | . | . | trans | -79.1 | -174 | 168.6 | 74.6 | 10.1 | 0 | 0 | 0 | 112.7 | G239 N240 K271 G272 F273 | G239-N269 VanDerWaalsContact O-CA 3.28Å; G239-N269 WeakPolarHBondContact O-CA 3.42Å; G239-N269 VanDerWaalsContact O-CB 3.28Å; G239-N269 WeakPolarHBondContact O-CB 3.35Å; N240-N269 WeakPolarHBondContact OD1-CB 3.29Å; N240-N269 PolarHBondContact OD1-ND2 3.17Å; N269-K271 PolarHBondContact O-N 2.99Å; N269-K271 VanDerWaalsContact O-N 3.08Å; N269-K271 WeakPolarHBondContact OD1-CA 3.37Å; N269-K271 PolarHBondContact OD1-N 3.32Å; N269-G272 WeakPolarHBondContact O-CA 3.26Å; N269-G272 PolarHBondContact O-N 3.39Å; N269-G272 PolarHBondContact OD1-N 2.89Å; N269-F273 PolarHBondContact N-O 3.48Å; N269-F273 PolarHBondContact OD1-N 3.28Å | ||
| 270 | D | 93.8 | Very high | 95 | Very high | 91 Ų | 91 | 35.1 Ų | 35.1 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.4 | -176.9 | -68.2 | -20.2 | 0 | 0 | 0 | 113.8 | F238 G239 K304 | F238-D270 VanDerWaalsContact C-CG 3.49Å; F238-D270 WeakPolarHBondContact O-CB 3.49Å; F238-D270 PolarHBondContact O-N 3.15Å; G239-D270 PolarHBondContact N-OD2 3.07Å; D270-K304 WeakPolarHBondContact O-CD 3.34Å; D270-K304 WeakPolarHBondContact O-CE 3.15Å; D270-K304 PolarHBondContact O-NZ 2.92Å |
| 271 | K | 91.1 | Very high | 94.9 | Very high | 106 Ų | 106 | 30.4 Ų | 30.4 | 46% | 0.461 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 1.7 | 173.8 | -64.8 | -175 | 178.5 | -178.4 | 0 | 112.8 | N269 F273 K304 | N269-K271 PolarHBondContact O-N 2.99Å; N269-K271 VanDerWaalsContact O-N 3.08Å; N269-K271 WeakPolarHBondContact OD1-CA 3.37Å; N269-K271 PolarHBondContact OD1-N 3.32Å; K271-F273 VanDerWaalsContact C-N 3.32Å; K271-F273 HydrophobicContact CB-CD2 3.75Å; K271-F273 HydrophobicContact CB-CE2 3.68Å; K271-F273 HydrophobicContact CB-CG 4.46Å; K271-F273 HydrophobicContact CB-CZ 4.3Å; K271-F273 HydrophobicContact CD-CD2 4.4Å; K271-F273 HydrophobicContact CD-CE2 3.85Å; K271-F273 HydrophobicContact CG-CE2 4.42Å; K271-K304 WeakPolarHBondContact O-CB 3.45Å; K271-K304 PolarHBondContact O-N 3.22Å |
| 272 | G | 93.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 6% | 0.062 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 79.5 | 9.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N269 S303 | N269-G272 WeakPolarHBondContact O-CA 3.26Å; N269-G272 PolarHBondContact O-N 3.39Å; N269-G272 PolarHBondContact OD1-N 2.89Å; G272-S303 WeakPolarHBondContact O-CA 3.48Å |
| 273 | F | 96 | Very high | 94.4 | Very high | 43 Ų | 43 | 30 Ų | 30 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | trans | -79.5 | 129.5 | 176.4 | -59.5 | -44.3 | 0 | 0 | 0 | 110.3 | H244 P268 N269 K271 H277 V278 S303 M312 | H244-F273 PolarHBondContact NE2-O 2.94Å; P268-F273 CarbonylContact C-O 3.52Å; P268-F273 WeakPolarHBondContact CA-O 3.5Å; N269-F273 PolarHBondContact N-O 3.48Å; N269-F273 PolarHBondContact OD1-N 3.28Å; K271-F273 VanDerWaalsContact C-N 3.32Å; K271-F273 HydrophobicContact CB-CD2 3.75Å; K271-F273 HydrophobicContact CB-CE2 3.68Å; K271-F273 HydrophobicContact CB-CG 4.46Å; K271-F273 HydrophobicContact CB-CZ 4.3Å; K271-F273 HydrophobicContact CD-CD2 4.4Å; K271-F273 HydrophobicContact CD-CE2 3.85Å; K271-F273 HydrophobicContact CG-CE2 4.42Å; F273-H277 HydrophobicContact CB-CB 3.88Å; F273-H277 HydrophobicContact CD1-CB 4.06Å; F273-H277 AromaticContact CD1-CD2 3.82Å; F273-H277 AromaticContact CD1-CG 4Å; F273-H277 HydrophobicContact CG-CB 4.28Å; F273-V278 HydrophobicContact CB-CG2 4.39Å; F273-S303 VanDerWaalsContact CD1-CB 3.42Å; F273-M312 HydrophobicContact CD1-CE 3.85Å; F273-M312 HydrophobicContact CE1-CE 3.09Å; F273-M312 HydrophobicContact CE1-SD 4.39Å; F273-M312 HydrophobicContact CZ-CE 3.62Å | ||
| 274 | T | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -83.9 | 167.2 | 169.3 | 65.9 | 0 | 0 | 0 | 0 | 110.6 | L276 H277 V278 Y301 | T274-L276 PolarHBondContact O-N 2.97Å; T274-L276 VanDerWaalsContact O-N 3.09Å; T274-H277 PolarHBondContact N-ND1 3.36Å; T274-H277 VanDerWaalsContact N-ND1 3.19Å; T274-H277 WeakPolarHBondContact O-CB 3.44Å; T274-H277 PolarHBondContact O-N 3.42Å; T274-H277 PolarHBondContact OG1-ND1 3.37Å; T274-V278 PolarHBondContact O-N 3.35Å; T274-Y301 HydrophobicContact CG2-CD1 3.49Å; T274-Y301 VanDerWaalsContact CG2-CD1 3.49Å; T274-Y301 HydrophobicContact CG2-CD2 4.26Å; T274-Y301 HydrophobicContact CG2-CE1 3.86Å; T274-Y301 HydrophobicContact CG2-CG 3.71Å | ||
| 275 | P | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -52.3 | -32.8 | 172.2 | -28 | 35.3 | 0 | 0 | 0 | 113 | L243 H244 V265 Q267 V278 A279 L292 | L243-P275 HydrophobicContact CB-CG 4.47Å; L243-P275 HydrophobicContact CD2-CB 4.24Å; L243-P275 HydrophobicContact CD2-CG 3.91Å; L243-P275 HydrophobicContact CG-CB 4.03Å; L243-P275 HydrophobicContact CG-CG 4Å; H244-P275 WeakPolarHBondContact NE2-CD 3.44Å; V265-P275 WeakPolarHBondContact O-CD 3.29Å; Q267-P275 WeakPolarHBondContact O-CD 2.84Å; P275-V278 PolarHBondContact O-N 2.93Å; P275-A279 WeakPolarHBondContact O-CB 3.35Å; P275-A279 PolarHBondContact O-N 3.32Å; P275-L292 HydrophobicContact CB-CD1 3.78Å; P275-L292 HydrophobicContact CB-CD2 4.08Å |
| 276 | L | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 178.1 | -173 | 64.7 | 0 | 0 | 0 | 112.7 | T274 V278 A279 A280 L289 L292 V293 A297 V299 P309 L325 | T274-L276 PolarHBondContact O-N 2.97Å; T274-L276 VanDerWaalsContact O-N 3.09Å; L276-V278 VanDerWaalsContact C-N 3.29Å; L276-V278 PolarHBondContact O-N 3.26Å; L276-A279 PolarHBondContact O-N 3.47Å; L276-A280 WeakPolarHBondContact O-CB 3.29Å; L276-A280 PolarHBondContact O-N 2.94Å; L276-L289 HydrophobicContact CD1-CD1 4.36Å; L276-L289 HydrophobicContact CD1-CG 3.79Å; L276-L292 HydrophobicContact CB-CD1 4.21Å; L276-L292 HydrophobicContact CD1-CB 4.11Å; L276-L292 HydrophobicContact CD1-CD1 4.32Å; L276-V293 HydrophobicContact CD1-CG2 3.75Å; L276-V293 HydrophobicContact CD2-CG2 4.35Å; L276-A297 HydrophobicContact CB-CB 4.38Å; L276-A297 HydrophobicContact CD2-CB 4.07Å; L276-V299 HydrophobicContact CD2-CB 4.45Å; L276-V299 HydrophobicContact CD2-CG1 4.14Å; L276-P309 HydrophobicContact CD2-CB 4.37Å; L276-P309 HydrophobicContact CD2-CG 3.92Å; L276-P309 HydrophobicContact CG-CB 4.18Å; L276-P309 HydrophobicContact CG-CG 4.02Å; L276-L325 HydrophobicContact CD1-CD2 4.25Å; L276-L325 HydrophobicContact CD2-CD2 4.18Å; L276-L325 HydrophobicContact CG-CD2 4.34Å |
| 277 | H | 95.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 173.4 | -72 | 83.4 | 0 | 0 | 0 | 111.4 | F273 T274 A280 V281 Y301 K307 M312 | F273-H277 HydrophobicContact CB-CB 3.88Å; F273-H277 HydrophobicContact CD1-CB 4.06Å; F273-H277 AromaticContact CD1-CD2 3.82Å; F273-H277 AromaticContact CD1-CG 4Å; F273-H277 HydrophobicContact CG-CB 4.28Å; T274-H277 PolarHBondContact N-ND1 3.36Å; T274-H277 VanDerWaalsContact N-ND1 3.19Å; T274-H277 WeakPolarHBondContact O-CB 3.44Å; T274-H277 PolarHBondContact O-N 3.42Å; T274-H277 PolarHBondContact OG1-ND1 3.37Å; H277-A280 WeakPolarHBondContact O-CB 3.24Å; H277-A280 PolarHBondContact O-N 2.93Å; H277-V281 PolarHBondContact O-N 3.11Å; H277-Y301 PolarHBondContact CE1-O 3.18Å; H277-Y301 PolarHBondContact NE2-O 2.57Å; H277-Y301 VanDerWaalsContact NE2-O 3.11Å; H277-K307 PolarHBondContact NE2-O 3.11Å; H277-M312 HydrophobicContact CB-CG 4.35Å |
| 278 | V | 94.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 11% | 0.109 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.1 | -39.4 | -177.8 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | Y248 F273 T274 P275 L276 A280 V281 S282 | Y248-V278 HydrophobicContact CD2-CG1 3.63Å; Y248-V278 HydrophobicContact CG-CG1 3.89Å; F273-V278 HydrophobicContact CB-CG2 4.39Å; T274-V278 PolarHBondContact O-N 3.35Å; P275-V278 PolarHBondContact O-N 2.93Å; L276-V278 VanDerWaalsContact C-N 3.29Å; L276-V278 PolarHBondContact O-N 3.26Å; V278-A280 VanDerWaalsContact C-N 3.29Å; V278-A280 PolarHBondContact O-N 3.43Å; V278-V281 PolarHBondContact O-N 3.21Å; V278-S282 PolarHBondContact O-N 3.43Å; V278-S282 VanDerWaalsContact O-N 3.11Å |
| 279 | A | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -35.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C247 P275 L276 V281 L289 L292 R321 | C247-A279 HydrophobicContact CB-CB 4.12Å; P275-A279 WeakPolarHBondContact O-CB 3.35Å; P275-A279 PolarHBondContact O-N 3.32Å; L276-A279 PolarHBondContact O-N 3.47Å; A279-V281 VanDerWaalsContact C-N 3.32Å; A279-V281 PolarHBondContact O-N 3.09Å; A279-L289 HydrophobicContact CB-CB 3.87Å; A279-L289 HydrophobicContact CB-CD1 4.48Å; A279-L292 HydrophobicContact CB-CD1 4.18Å; A279-R321 VanDerWaalsContact O-CD 3.3Å; A279-R321 WeakPolarHBondContact O-CD 3.36Å; A279-R321 PolarHBondContact O-NE 3.3Å |
| 280 | A | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.3 | -32.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L276 H277 V278 L289 P309 M312 A313 R318 R321 L325 | L276-A280 WeakPolarHBondContact O-CB 3.29Å; L276-A280 PolarHBondContact O-N 2.94Å; H277-A280 WeakPolarHBondContact O-CB 3.24Å; H277-A280 PolarHBondContact O-N 2.93Å; V278-A280 VanDerWaalsContact C-N 3.29Å; V278-A280 PolarHBondContact O-N 3.43Å; A280-L289 HydrophobicContact CB-CD1 4.12Å; A280-P309 HydrophobicContact CB-CB 4.25Å; A280-P309 WeakPolarHBondContact CB-O 3.26Å; A280-M312 HydrophobicContact CB-CB 4.04Å; A280-A313 HydrophobicContact CB-CB 4.47Å; A280-R318 WeakPolarHBondContact O-CG 3.38Å; A280-R321 WeakPolarHBondContact O-CD 3.43Å; A280-L325 HydrophobicContact CB-CD1 4.39Å |
| 281 | V | 92.5 | Very high | 93.2 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -79.2 | -41.5 | 176.5 | 171 | 0 | 0 | 0 | 0 | 112.7 | Y248 H277 V278 A279 M312 H316 R318 | Y248-V281 HydrophobicContact CE2-CG1 4.46Å; H277-V281 PolarHBondContact O-N 3.11Å; V278-V281 PolarHBondContact O-N 3.21Å; A279-V281 VanDerWaalsContact C-N 3.32Å; A279-V281 PolarHBondContact O-N 3.09Å; V281-M312 HydrophobicContact CG2-CB 3.74Å; V281-M312 HydrophobicContact CG2-CG 4.16Å; V281-M312 HydrophobicContact CG2-SD 4.08Å; V281-H316 WeakPolarHBondContact CG1-NE2 3.49Å; V281-R318 PolarHBondContact O-NE 2.96Å; V281-R318 PolarHBondContact O-NH2 3.29Å |
| 282 | S | 90 | Very high | 93.5 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | trans | -48 | 150.7 | -170.3 | 179 | 0 | 0 | 0 | 0 | 113.5 | Y248 V278 N284 G285 R318 R321 | Y248-S282 VanDerWaalsContact O-CB 3.22Å; Y248-S282 WeakPolarHBondContact O-CB 3.37Å; Y248-S282 PolarHBondContact O-OG 3.49Å; V278-S282 PolarHBondContact O-N 3.43Å; V278-S282 VanDerWaalsContact O-N 3.11Å; S282-N284 PolarHBondContact OG-N 3.28Å; S282-N284 VanDerWaalsContact OG-N 3.16Å; S282-G285 PolarHBondContact OG-N 3Å; S282-R318 PolarHBondContact O-NE 3.43Å; S282-R321 PolarHBondContact O-NE 3.35Å; S282-R321 PolarHBondContact O-NH1 2.99Å; S282-R321 PolarHBondContact O-NH2 2.81Å | ||
| 283 | T | 86.9 | Confident | 93.6 | Very high | 89 Ų | 89 | 25.8 Ų | 25.8 | 55% | 0.546 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -73.4 | -42.9 | 167.8 | 45.1 | 0 | 0 | 0 | 0 | 111.3 | R321 | T283-R321 PolarHBondContact O-NH2 3.46Š|
| 284 | N | 86.4 | Confident | 93.5 | Very high | 116 Ų | 116 | 29.7 Ų | 29.7 | 62% | 0.62 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -106.3 | -11.8 | -169.7 | -62.2 | -20.4 | 0 | 0 | 0 | 113.9 | S282 A286 | S282-N284 PolarHBondContact OG-N 3.28Å; S282-N284 VanDerWaalsContact OG-N 3.16Å; N284-A286 PolarHBondContact O-N 3.34Å |
| 285 | G | 86.6 | Confident | 93.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 27.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | S282 L289 | S282-G285 PolarHBondContact OG-N 3Å; G285-L289 PolarHBondContact O-N 2.93Å |
| 286 | A | 91.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 36 Ų | 36 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.4 | -46.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N284 C288 L289 E290 | N284-A286 PolarHBondContact O-N 3.34Å; A286-C288 VanDerWaalsContact C-N 3.33Å; A286-C288 PolarHBondContact O-N 3.05Å; A286-L289 WeakPolarHBondContact O-CB 3.41Å; A286-L289 PolarHBondContact O-N 2.85Å; A286-L289 VanDerWaalsContact O-N 3.14Å; A286-E290 PolarHBondContact O-N 3Å; A286-E290 VanDerWaalsContact O-N 3.1Å |
| 287 | L | 93.6 | Very high | 93.1 | Very high | 99 Ų | 99 | 36.4 Ų | 36.4 | 52% | 0.518 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -38.4 | 175.7 | -64.6 | 175.7 | 0 | 0 | 0 | 111.9 | D252 L289 E290 L291 | D252-L287 HydrophobicContact CB-CB 3.93Å; D252-L287 HydrophobicContact CB-CD1 4.48Å; L287-L289 VanDerWaalsContact C-N 3.29Å; L287-L289 PolarHBondContact O-N 2.98Å; L287-E290 PolarHBondContact O-N 3.04Å; L287-L291 VanDerWaalsContact O-CB 3.32Å; L287-L291 WeakPolarHBondContact O-CB 3.31Å; L287-L291 PolarHBondContact O-N 2.88Å |
| 288 | C | 94.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -39.5 | 173.2 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | C247 D252 A286 L291 L292 | C247-C288 HydrophobicContact CB-CB 4.2Å; D252-C288 VanDerWaalsContact CA-SG 3.53Å; A286-C288 VanDerWaalsContact C-N 3.33Å; A286-C288 PolarHBondContact O-N 3.05Å; C288-L291 PolarHBondContact O-N 3.17Å; C288-L292 WeakPolarHBondContact O-CB 3.41Å; C288-L292 WeakPolarHBondContact O-CG 3.46Å; C288-L292 PolarHBondContact O-N 3.03Å |
| 289 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -49.1 | 177.1 | -175.7 | 146.6 | 0 | 0 | 0 | 111.2 | L276 A279 A280 G285 A286 L287 L291 L292 V293 R321 I324 L325 | L276-L289 HydrophobicContact CD1-CD1 4.36Å; L276-L289 HydrophobicContact CD1-CG 3.79Å; A279-L289 HydrophobicContact CB-CB 3.87Å; A279-L289 HydrophobicContact CB-CD1 4.48Å; A280-L289 HydrophobicContact CB-CD1 4.12Å; G285-L289 PolarHBondContact O-N 2.93Å; A286-L289 WeakPolarHBondContact O-CB 3.41Å; A286-L289 PolarHBondContact O-N 2.85Å; A286-L289 VanDerWaalsContact O-N 3.14Å; L287-L289 VanDerWaalsContact C-N 3.29Å; L287-L289 PolarHBondContact O-N 2.98Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 3.37Å; L289-L292 PolarHBondContact O-N 2.86Å; L289-V293 HydrophobicContact CD2-CG2 4.37Å; L289-V293 WeakPolarHBondContact O-CG2 3.39Å; L289-V293 PolarHBondContact O-N 2.8Å; L289-R321 HydrophobicContact CD1-CB 3.9Å; L289-R321 HydrophobicContact CD1-CG 4.06Å; L289-I324 HydrophobicContact CD2-CB 3.89Å; L289-I324 HydrophobicContact CD2-CD1 4.36Å; L289-I324 HydrophobicContact CD2-CG2 3.44Å; L289-I324 VanDerWaalsContact CD2-CG2 3.44Å; L289-L325 HydrophobicContact CD1-CD1 4.44Å; L289-L325 HydrophobicContact CD1-CD2 4.4Å; L289-L325 HydrophobicContact CD1-CG 4.35Å; L289-L325 HydrophobicContact CD2-CD2 4.41Å; L289-L325 HydrophobicContact CD2-CG 4.46Å |
| 290 | E | 94.8 | Very high | 93.2 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 38% | 0.379 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -44 | 176.5 | -69.7 | 178.2 | -167.3 | 0 | 0 | 111.7 | A286 L287 L292 V293 N294 I324 | A286-E290 PolarHBondContact O-N 3Å; A286-E290 VanDerWaalsContact O-N 3.1Å; L287-E290 PolarHBondContact O-N 3.04Å; E290-L292 PolarHBondContact O-N 3.19Å; E290-V293 PolarHBondContact O-N 2.71Å; E290-N294 WeakPolarHBondContact O-CB 3.49Å; E290-N294 PolarHBondContact O-N 2.85Å; E290-N294 PolarHBondContact O-ND2 2.93Å; E290-I324 HydrophobicContact CG-CD1 3.83Å; E290-I324 HydrophobicContact CG-CG2 4.18Å; E290-I324 WeakPolarHBondContact OE1-CD1 3.32Å |
| 291 | L | 95.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 45.2 Ų | 45.2 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -47.3 | 176.7 | 176.9 | 139.9 | 0 | 0 | 0 | 112.3 | A255 I256 V259 L287 C288 L289 N294 N295 | A255-L291 HydrophobicContact CB-CD2 4.48Å; I256-L291 HydrophobicContact CB-CD1 3.98Å; I256-L291 HydrophobicContact CD1-CD1 4.22Å; I256-L291 HydrophobicContact CG1-CD1 3.09Å; V259-L291 HydrophobicContact CB-CD2 4.32Å; V259-L291 HydrophobicContact CG2-CD2 3.79Å; L287-L291 VanDerWaalsContact O-CB 3.32Å; L287-L291 WeakPolarHBondContact O-CB 3.31Å; L287-L291 PolarHBondContact O-N 2.88Å; C288-L291 PolarHBondContact O-N 3.17Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 3.37Å; L291-N294 PolarHBondContact O-N 2.93Å; L291-N295 WeakPolarHBondContact O-CB 3.47Å; L291-N295 PolarHBondContact O-N 2.62Å; L291-N295 VanDerWaalsContact O-N 3.11Å; L291-N295 PolarHBondContact O-ND2 3.14Å |
| 292 | L | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -46.5 | -179.3 | -73 | 171.2 | 0 | 0 | 0 | 111 | L243 V265 P275 L276 A279 C288 L289 E290 N294 N295 G296 A297 | L243-L292 HydrophobicContact CD2-CD2 4.08Å; L243-L292 HydrophobicContact CG-CD2 4.49Å; V265-L292 HydrophobicContact CB-CD2 4.07Å; V265-L292 HydrophobicContact CG1-CD2 4.03Å; P275-L292 HydrophobicContact CB-CD1 3.78Å; P275-L292 HydrophobicContact CB-CD2 4.08Å; L276-L292 HydrophobicContact CB-CD1 4.21Å; L276-L292 HydrophobicContact CD1-CB 4.11Å; L276-L292 HydrophobicContact CD1-CD1 4.32Å; A279-L292 HydrophobicContact CB-CD1 4.18Å; C288-L292 WeakPolarHBondContact O-CB 3.41Å; C288-L292 WeakPolarHBondContact O-CG 3.46Å; C288-L292 PolarHBondContact O-N 3.03Å; L289-L292 PolarHBondContact O-N 2.86Å; E290-L292 PolarHBondContact O-N 3.19Å; L292-N294 PolarHBondContact O-N 2.99Å; L292-N295 CarbonylContact O-C 3.45Å; L292-N295 PolarHBondContact O-N 3.3Å; L292-N295 VanDerWaalsContact O-N 3.12Å; L292-G296 PolarHBondContact O-N 3.39Å; L292-A297 VanDerWaalsContact C-CB 3.47Å; L292-A297 HydrophobicContact CB-CB 3.84Å; L292-A297 WeakPolarHBondContact O-CB 3.39Å; L292-A297 PolarHBondContact O-N 2.89Å |
| 293 | V | 95.4 | Very high | 93.6 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 178.9 | 174.8 | 0 | 0 | 0 | 0 | 111 | L276 L289 E290 N295 G296 V299 N328 | L276-V293 HydrophobicContact CD1-CG2 3.75Å; L276-V293 HydrophobicContact CD2-CG2 4.35Å; L289-V293 HydrophobicContact CD2-CG2 4.37Å; L289-V293 WeakPolarHBondContact O-CG2 3.39Å; L289-V293 PolarHBondContact O-N 2.8Å; E290-V293 PolarHBondContact O-N 2.71Å; V293-N295 PolarHBondContact O-N 2.95Å; V293-G296 PolarHBondContact O-N 3.2Å; V293-G296 VanDerWaalsContact O-N 3.15Å; V293-V299 HydrophobicContact CG1-CG1 4.25Å; V293-V299 HydrophobicContact CG2-CG1 3.96Å; V293-N328 HydrophobicContact CG1-CB 3.5Å; V293-N328 VanDerWaalsContact CG1-CB 3.5Å; V293-N328 WeakPolarHBondContact CG1-OD1 3.28Å |
| 294 | N | 94.3 | Very high | 93.9 | Very high | 125 Ų | 125 | 50.5 Ų | 50.5 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.5 | -22.8 | 177.2 | -71.4 | -26.4 | 0 | 0 | 0 | 113.5 | E290 L291 L292 | E290-N294 WeakPolarHBondContact O-CB 3.49Å; E290-N294 PolarHBondContact O-N 2.85Å; E290-N294 PolarHBondContact O-ND2 2.93Å; L291-N294 PolarHBondContact O-N 2.93Å; L292-N294 PolarHBondContact O-N 2.99Å |
| 295 | N | 94.6 | Very high | 94.1 | Very high | 81 Ų | 81 | 49 Ų | 49 | 43% | 0.433 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 22.7 | 177.5 | -73.5 | -84.1 | 0 | 0 | 0 | 113 | V259 V265 L291 L292 V293 | V259-N295 HydrophobicContact CG1-CB 3.96Å; V265-N295 HydrophobicContact CG1-CB 4.39Å; L291-N295 WeakPolarHBondContact O-CB 3.47Å; L291-N295 PolarHBondContact O-N 2.62Å; L291-N295 VanDerWaalsContact O-N 3.11Å; L291-N295 PolarHBondContact O-ND2 3.14Å; L292-N295 CarbonylContact O-C 3.45Å; L292-N295 PolarHBondContact O-N 3.3Å; L292-N295 VanDerWaalsContact O-N 3.12Å; V293-N295 PolarHBondContact O-N 2.95Å |
| 296 | G | 91.8 | Very high | 94.4 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 24.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N266 L292 V293 D298 | N266-G296 PolarHBondContact ND2-O 3.27Å; L292-G296 PolarHBondContact O-N 3.39Å; V293-G296 PolarHBondContact O-N 3.2Å; V293-G296 VanDerWaalsContact O-N 3.15Å; G296-D298 PolarHBondContact O-N 3.16Å |
| 297 | A | 95.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | trans | -64.4 | 133.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V265 N266 L276 L292 V299 | V265-A297 HydrophobicContact CB-CB 4.47Å; V265-A297 HydrophobicContact CG2-CB 4.47Å; N266-A297 WeakPolarHBondContact OD1-CA 3.43Å; L276-A297 HydrophobicContact CB-CB 4.38Å; L276-A297 HydrophobicContact CD2-CB 4.07Å; L292-A297 VanDerWaalsContact C-CB 3.47Å; L292-A297 HydrophobicContact CB-CB 3.84Å; L292-A297 WeakPolarHBondContact O-CB 3.39Å; L292-A297 PolarHBondContact O-N 2.89Å; A297-V299 PolarHBondContact O-N 3.48Å | ||
| 298 | D | 95.3 | Very high | 94.7 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | trans | -74.5 | 108 | 178.7 | -179.8 | 1.9 | 0 | 0 | 0 | 110.1 | N266 G296 N300 Y301 | N266-D298 PolarHBondContact OD1-N 2.8Å; G296-D298 PolarHBondContact O-N 3.16Å; D298-N300 PolarHBondContact O-N 3.39Å; D298-N300 PolarHBondContact OD1-N 3.09Å; D298-Y301 HydrophobicContact CB-CD2 4.37Å; D298-Y301 WeakPolarHBondContact O-CB 3.15Å; D298-Y301 PolarHBondContact O-N 2.91Å; D298-Y301 PolarHBondContact OD1-N 3.42Å | ||
| 299 | V | 95.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.6 | 179.8 | -63.9 | 0 | 0 | 0 | 0 | 113.6 | L276 V293 A297 P309 L325 N328 | L276-V299 HydrophobicContact CD2-CB 4.45Å; L276-V299 HydrophobicContact CD2-CG1 4.14Å; V293-V299 HydrophobicContact CG1-CG1 4.25Å; V293-V299 HydrophobicContact CG2-CG1 3.96Å; A297-V299 PolarHBondContact O-N 3.48Å; V299-P309 WeakPolarHBondContact O-CD 3.19Å; V299-L325 HydrophobicContact CB-CD2 4.45Å; V299-L325 HydrophobicContact CG1-CD2 4.22Å; V299-N328 HydrophobicContact CG1-CB 4.28Å |
| 300 | N | 95.4 | Very high | 94.8 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 23% | 0.225 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 2.6 | -177.9 | -66.7 | -45.7 | 0 | 0 | 0 | 113.1 | D298 Q302 G329 S330 E331 | D298-N300 PolarHBondContact O-N 3.39Å; D298-N300 PolarHBondContact OD1-N 3.09Å; N300-Q302 PolarHBondContact O-N 3.1Å; N300-G329 PolarHBondContact ND2-O 3.18Å; N300-G329 VanDerWaalsContact ND2-O 3.08Å; N300-S330 WeakPolarHBondContact OD1-CA 3.27Å; N300-E331 PolarHBondContact OD1-N 3.03Å |
| 301 | Y | 95.6 | Very high | 94.8 | Very high | 79 Ų | 79 | 41.9 Ų | 41.9 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -55.5 | 128.2 | 179.7 | -158.6 | -79.1 | 0 | 0 | 0 | 110.4 | P268 T274 H277 D298 P309 | P268-Y301 HydrophobicContact CB-CE1 4.31Å; T274-Y301 HydrophobicContact CG2-CD1 3.49Å; T274-Y301 VanDerWaalsContact CG2-CD1 3.49Å; T274-Y301 HydrophobicContact CG2-CD2 4.26Å; T274-Y301 HydrophobicContact CG2-CE1 3.86Å; T274-Y301 HydrophobicContact CG2-CG 3.71Å; H277-Y301 PolarHBondContact CE1-O 3.18Å; H277-Y301 PolarHBondContact NE2-O 2.57Å; H277-Y301 VanDerWaalsContact NE2-O 3.11Å; D298-Y301 HydrophobicContact CB-CD2 4.37Å; D298-Y301 WeakPolarHBondContact O-CB 3.15Å; D298-Y301 PolarHBondContact O-N 2.91Å; D298-Y301 PolarHBondContact OD1-N 3.42Å; Y301-P309 WeakPolarHBondContact O-CD 3.38Å |
| 302 | Q | 95.1 | Very high | 94.7 | Very high | 90 Ų | 90 | 41.1 Ų | 41.1 | 42% | 0.421 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -101.3 | 131.2 | -179.2 | -68 | -170.2 | -24.6 | 0 | 0 | 111.4 | N300 G306 A335 | N300-Q302 PolarHBondContact O-N 3.1Å; Q302-G306 PolarHBondContact NE2-O 2.97Å; Q302-A335 PolarHBondContact NE2-O 3.38Å |
| 303 | S | 94.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 174 | 169.7 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | G272 F273 E305 G306 K307 | G272-S303 WeakPolarHBondContact O-CA 3.48Å; F273-S303 VanDerWaalsContact CD1-CB 3.42Å; S303-E305 PolarHBondContact O-N 3.21Å; S303-E305 PolarHBondContact OG-N 2.83Å; S303-G306 PolarHBondContact O-N 2.94Å; S303-K307 WeakPolarHBondContact CB-O 3.35Å; S303-K307 PolarHBondContact N-O 2.88Å; S303-K307 WeakPolarHBondContact OG-CB 3.39Å; S303-K307 PolarHBondContact OG-N 3.08Å; S303-K307 VanDerWaalsContact OG-N 3.16Å; S303-K307 PolarHBondContact OG-O 2.97Å |
| 304 | K | 93 | Very high | 94.5 | Very high | 123 Ų | 123 | 40.3 Ų | 40.3 | 54% | 0.535 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.5 | 173.9 | -71 | -175.8 | -179.6 | 177.1 | 0 | 112.7 | D270 K271 G306 K337 | D270-K304 WeakPolarHBondContact O-CD 3.34Å; D270-K304 WeakPolarHBondContact O-CE 3.15Å; D270-K304 PolarHBondContact O-NZ 2.92Å; K271-K304 WeakPolarHBondContact O-CB 3.45Å; K271-K304 PolarHBondContact O-N 3.22Å; K304-G306 VanDerWaalsContact C-N 3.35Å; K304-K337 WeakPolarHBondContact O-CD 3.23Å; K304-K337 WeakPolarHBondContact O-CE 3.4Å; K304-K337 PolarHBondContact O-NZ 3.35Å |
| 305 | E | 90.8 | Very high | 94.5 | Very high | 85 Ų | 85 | 35.7 Ų | 35.7 | 40% | 0.397 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 9.6 | 174.6 | -62.3 | -53 | 142.6 | 0 | 0 | 113.8 | S303 K307 K337 | S303-E305 PolarHBondContact O-N 3.21Å; S303-E305 PolarHBondContact OG-N 2.83Å; E305-K307 HydrophobicContact CB-CD 4.47Å; E305-K307 HydrophobicContact CB-CG 4.23Å; E305-K307 PolarHBondContact O-N 3.26Å; E305-K337 WeakPolarHBondContact O-CB 3.41Å; E305-K337 PolarHBondContact O-N 3.47Å |
| 306 | G | 93.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 6% | 0.062 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 74.7 | -0.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q302 S303 K304 | Q302-G306 PolarHBondContact NE2-O 2.97Å; S303-G306 PolarHBondContact O-N 2.94Å; K304-G306 VanDerWaalsContact C-N 3.35Å |
| 307 | K | 94.7 | Very high | 94 | Very high | 54 Ų | 54 | 33.4 Ų | 33.4 | 24% | 0.235 | 17% | 0.166 | C | C | . | . | trans | -75.6 | 129.7 | -179.6 | -58.9 | 179.1 | 176.8 | -179 | 0 | 110.4 | H277 S303 E305 H311 M312 I315 D336 | H277-K307 PolarHBondContact NE2-O 3.11Å; S303-K307 WeakPolarHBondContact CB-O 3.35Å; S303-K307 PolarHBondContact N-O 2.88Å; S303-K307 WeakPolarHBondContact OG-CB 3.39Å; S303-K307 PolarHBondContact OG-N 3.08Å; S303-K307 VanDerWaalsContact OG-N 3.16Å; S303-K307 PolarHBondContact OG-O 2.97Å; E305-K307 HydrophobicContact CB-CD 4.47Å; E305-K307 HydrophobicContact CB-CG 4.23Å; E305-K307 PolarHBondContact O-N 3.26Å; K307-H311 HydrophobicContact CB-CB 3.97Å; K307-H311 HydrophobicContact CG-CB 4.45Å; K307-M312 HydrophobicContact CB-CE 3.58Å; K307-M312 HydrophobicContact CD-CE 3.59Å; K307-M312 HydrophobicContact CG-CE 4.24Å; K307-I315 HydrophobicContact CD-CD1 4.37Å; K307-D336 HydrophobicContact CG-CB 4.08Å | ||
| 308 | S | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -86.9 | 169.5 | 172 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | L310 H311 M312 C334 | S308-L310 PolarHBondContact O-N 3.22Å; S308-L310 PolarHBondContact OG-N 2.86Å; S308-H311 PolarHBondContact N-ND1 3.34Å; S308-H311 WeakPolarHBondContact O-CB 3.45Å; S308-H311 PolarHBondContact O-N 2.96Å; S308-H311 PolarHBondContact OG-N 3.48Å; S308-H311 PolarHBondContact OG-ND1 3.43Å; S308-M312 PolarHBondContact O-N 2.98Å; S308-C334 PolarHBondContact OG-SG 3.14Å | ||
| 309 | P | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.8 | -33.7 | 171.1 | -26.8 | 35.1 | 0 | 0 | 0 | 113.3 | L276 A280 V299 Y301 M312 A313 L325 | L276-P309 HydrophobicContact CD2-CB 4.37Å; L276-P309 HydrophobicContact CD2-CG 3.92Å; L276-P309 HydrophobicContact CG-CB 4.18Å; L276-P309 HydrophobicContact CG-CG 4.02Å; A280-P309 HydrophobicContact CB-CB 4.25Å; A280-P309 WeakPolarHBondContact CB-O 3.26Å; V299-P309 WeakPolarHBondContact O-CD 3.19Å; Y301-P309 WeakPolarHBondContact O-CD 3.38Å; P309-M312 WeakPolarHBondContact O-CB 3.46Å; P309-M312 PolarHBondContact O-N 3.47Å; P309-M312 VanDerWaalsContact O-N 3.17Å; P309-A313 PolarHBondContact O-N 2.82Å; P309-L325 HydrophobicContact CB-CD1 3.87Å; P309-L325 HydrophobicContact CB-CD2 4.05Å |
| 310 | L | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.5 | -36.6 | 176.5 | -173.2 | 59.9 | 0 | 0 | 0 | 112.1 | S308 M312 A313 A314 I326 S330 P342 L358 | S308-L310 PolarHBondContact O-N 3.22Å; S308-L310 PolarHBondContact OG-N 2.86Å; L310-M312 VanDerWaalsContact C-N 3.3Å; L310-M312 PolarHBondContact O-N 3.16Å; L310-A313 PolarHBondContact O-N 2.92Å; L310-A314 WeakPolarHBondContact O-CB 3.45Å; L310-A314 PolarHBondContact O-N 3.46Å; L310-I326 HydrophobicContact CD1-CD1 4.33Å; L310-I326 HydrophobicContact CD1-CG1 4.16Å; L310-I326 HydrophobicContact CD2-CG1 4.19Å; L310-S330 WeakPolarHBondContact CB-OG 3.46Å; L310-S330 WeakPolarHBondContact CD2-OG 3.14Å; L310-P342 HydrophobicContact CB-CG 4.24Å; L310-P342 HydrophobicContact CD2-CB 4.16Å; L310-P342 HydrophobicContact CD2-CG 3.86Å; L310-P342 HydrophobicContact CG-CB 3.9Å; L310-P342 HydrophobicContact CG-CG 3.84Å; L310-L358 HydrophobicContact CD1-CD2 4.4Å; L310-L358 HydrophobicContact CD2-CD2 4.02Å; L310-L358 HydrophobicContact CG-CD2 4.45Å |
| 311 | H | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 170.1 | -72.1 | 90.1 | 0 | 0 | 0 | 111.5 | K307 S308 A314 I315 C334 N340 P342 | K307-H311 HydrophobicContact CB-CB 3.97Å; K307-H311 HydrophobicContact CG-CB 4.45Å; S308-H311 PolarHBondContact N-ND1 3.34Å; S308-H311 WeakPolarHBondContact O-CB 3.45Å; S308-H311 PolarHBondContact O-N 2.96Å; S308-H311 PolarHBondContact OG-N 3.48Å; S308-H311 PolarHBondContact OG-ND1 3.43Å; H311-A314 CarbonylContact O-C 2.88Å; H311-A314 WeakPolarHBondContact O-CB 3.29Å; H311-A314 PolarHBondContact O-N 2.88Å; H311-A314 VanDerWaalsContact O-N 3.17Å; H311-I315 WeakPolarHBondContact O-CG1 3.24Å; H311-I315 PolarHBondContact O-N 3.19Å; H311-C334 PolarHBondContact CE1-O 3.43Å; H311-C334 PolarHBondContact CE1-SG 3.18Å; H311-C334 PolarHBondContact NE2-O 2.93Å; H311-N340 PolarHBondContact NE2-O 3.22Å; H311-P342 WeakPolarHBondContact NE2-CD 3.49Å |
| 312 | M | 93.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | 178.5 | -66.7 | -59.5 | 158.2 | 0 | 0 | 112.1 | F273 H277 A280 V281 K307 S308 P309 L310 A314 I315 H316 | F273-M312 HydrophobicContact CD1-CE 3.85Å; F273-M312 HydrophobicContact CE1-CE 3.09Å; F273-M312 HydrophobicContact CE1-SD 4.39Å; F273-M312 HydrophobicContact CZ-CE 3.62Å; H277-M312 HydrophobicContact CB-CG 4.35Å; A280-M312 HydrophobicContact CB-CB 4.04Å; V281-M312 HydrophobicContact CG2-CB 3.74Å; V281-M312 HydrophobicContact CG2-CG 4.16Å; V281-M312 HydrophobicContact CG2-SD 4.08Å; K307-M312 HydrophobicContact CB-CE 3.58Å; K307-M312 HydrophobicContact CD-CE 3.59Å; K307-M312 HydrophobicContact CG-CE 4.24Å; S308-M312 PolarHBondContact O-N 2.98Å; P309-M312 WeakPolarHBondContact O-CB 3.46Å; P309-M312 PolarHBondContact O-N 3.47Å; P309-M312 VanDerWaalsContact O-N 3.17Å; L310-M312 VanDerWaalsContact C-N 3.3Å; L310-M312 PolarHBondContact O-N 3.16Å; M312-A314 PolarHBondContact O-N 3.36Å; M312-I315 PolarHBondContact O-N 2.72Å; M312-I315 HydrophobicContact SD-CD1 4.09Å; M312-H316 PolarHBondContact O-CD2 3.38Å; M312-H316 PolarHBondContact O-N 3.47Å |
| 313 | A | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61 | -35.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A280 P309 L310 H316 G317 R318 S322 L325 | A280-A313 HydrophobicContact CB-CB 4.47Å; P309-A313 PolarHBondContact O-N 2.82Å; L310-A313 PolarHBondContact O-N 2.92Å; A313-H316 PolarHBondContact O-N 2.85Å; A313-G317 PolarHBondContact O-N 3.17Å; A313-R318 HydrophobicContact CB-CB 4.23Å; A313-R318 PolarHBondContact O-N 2.82Å; A313-S322 WeakPolarHBondContact CB-OG 3.34Å; A313-L325 HydrophobicContact CB-CD1 4.38Å |
| 314 | A | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71 | -31.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115 | L310 H311 M312 H316 P342 V345 A346 H351 L354 | L310-A314 WeakPolarHBondContact O-CB 3.45Å; L310-A314 PolarHBondContact O-N 3.46Å; H311-A314 CarbonylContact O-C 2.88Å; H311-A314 WeakPolarHBondContact O-CB 3.29Å; H311-A314 PolarHBondContact O-N 2.88Å; H311-A314 VanDerWaalsContact O-N 3.17Å; M312-A314 PolarHBondContact O-N 3.36Å; A314-H316 VanDerWaalsContact C-N 3.33Å; A314-P342 HydrophobicContact CB-CB 4.32Å; A314-V345 HydrophobicContact CB-CB 4.08Å; A314-V345 HydrophobicContact CB-CG1 3.85Å; A314-A346 HydrophobicContact CB-CB 4.41Å; A314-H351 PolarHBondContact O-CD2 2.86Å; A314-H351 PolarHBondContact O-NE2 2.82Å; A314-L354 HydrophobicContact CB-CD2 3.64Å |
| 315 | I | 92.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 14% | 0.138 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 173.4 | -67.5 | 168.1 | 0 | 0 | 0 | 109.9 | K307 H311 M312 V345 Y349 H351 | K307-I315 HydrophobicContact CD-CD1 4.37Å; H311-I315 WeakPolarHBondContact O-CG1 3.24Å; H311-I315 PolarHBondContact O-N 3.19Å; M312-I315 PolarHBondContact O-N 2.72Å; M312-I315 HydrophobicContact SD-CD1 4.09Å; I315-V345 HydrophobicContact CB-CG1 4.27Å; I315-V345 HydrophobicContact CG1-CG1 3.47Å; I315-V345 VanDerWaalsContact CG1-CG1 3.47Å; I315-Y349 HydrophobicContact CB-CE2 4.26Å; I315-Y349 HydrophobicContact CG1-CE2 4.03Å; I315-Y349 HydrophobicContact CG2-CE2 4Å; I315-H351 PolarHBondContact O-NE2 3.48Å |
| 316 | H | 88.7 | Confident | 92.8 | Very high | 63 Ų | 63 | 24.4 Ų | 24.4 | 29% | 0.292 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 7.5 | -171.3 | -65.2 | -81.1 | 0 | 0 | 0 | 114.4 | V281 M312 A313 A314 R318 | V281-H316 WeakPolarHBondContact CG1-NE2 3.49Å; M312-H316 PolarHBondContact O-CD2 3.38Å; M312-H316 PolarHBondContact O-N 3.47Å; A313-H316 PolarHBondContact O-N 2.85Å; A314-H316 VanDerWaalsContact C-N 3.33Å; H316-R318 VanDerWaalsContact C-N 3.27Å; H316-R318 HydrophobicContact CB-CG 3.97Å; H316-R318 PolarHBondContact O-N 3.46Å |
| 317 | G | 89.3 | Confident | 92.8 | Very high | 24 Ų | 24 | 31.3 Ų | 31.3 | 25% | 0.247 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 28.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A313 F319 H351 | A313-G317 PolarHBondContact O-N 3.17Å; G317-F319 VanDerWaalsContact C-N 3.31Å; G317-F319 PolarHBondContact O-N 2.89Å; G317-H351 WeakPolarHBondContact CA-CE1 3.31Å; G317-H351 VanDerWaalsContact CA-CG 3.47Å; G317-H351 VanDerWaalsContact CA-ND1 3.32Å; G317-H351 WeakPolarHBondContact CA-ND1 3.37Å; G317-H351 PolarHBondContact N-CE1 3.1Å; G317-H351 PolarHBondContact N-NE2 2.95Å |
| 318 | R | 90.6 | Very high | 92.8 | Very high | 66 Ų | 66 | 32.3 Ų | 32.3 | 25% | 0.249 | 16% | 0.163 | C | C | . | . | trans | -80.6 | 79 | -176.6 | -55 | -50.4 | -164.7 | -163.2 | -10 | 110.7 | A280 V281 S282 A313 H316 T320 R321 S322 | A280-R318 WeakPolarHBondContact O-CG 3.38Å; V281-R318 PolarHBondContact O-NE 2.96Å; V281-R318 PolarHBondContact O-NH2 3.29Å; S282-R318 PolarHBondContact O-NE 3.43Å; A313-R318 HydrophobicContact CB-CB 4.23Å; A313-R318 PolarHBondContact O-N 2.82Å; H316-R318 VanDerWaalsContact C-N 3.27Å; H316-R318 HydrophobicContact CB-CG 3.97Å; H316-R318 PolarHBondContact O-N 3.46Å; R318-T320 PolarHBondContact O-N 3.27Å; R318-R321 HydrophobicContact CB-CB 3.91Å; R318-R321 HydrophobicContact CB-CG 4.07Å; R318-R321 PolarHBondContact O-N 3.24Å; R318-S322 PolarHBondContact O-N 3.46Å; R318-S322 PolarHBondContact O-OG 3.08Å | ||
| 319 | F | 88.5 | Confident | 92.6 | Very high | 66 Ų | 66 | 34.7 Ų | 34.7 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -52.6 | -55.9 | -177.6 | 170.7 | -94.3 | 0 | 0 | 0 | 113.6 | G317 R321 S322 Q323 L353 T357 | G317-F319 VanDerWaalsContact C-N 3.31Å; G317-F319 PolarHBondContact O-N 2.89Å; F319-R321 VanDerWaalsContact C-N 3.33Å; F319-R321 PolarHBondContact O-N 3.46Å; F319-S322 WeakPolarHBondContact O-CB 3.13Å; F319-S322 PolarHBondContact O-N 3.25Å; F319-S322 VanDerWaalsContact O-N 3.12Å; F319-Q323 VanDerWaalsContact CE1-CD 3.47Å; F319-Q323 HydrophobicContact CE1-CG 4.36Å; F319-Q323 VanDerWaalsContact CE1-OE1 3.29Å; F319-Q323 VanDerWaalsContact CZ-CD 3.47Å; F319-Q323 HydrophobicContact CZ-CG 4.29Å; F319-Q323 PolarHBondContact O-N 3.32Å; F319-L353 HydrophobicContact CD2-CB 3.94Å; F319-L353 HydrophobicContact CE2-CB 4.32Å; F319-T357 WeakPolarHBondContact CE2-OG1 3.2Å |
| 320 | T | 89.6 | Confident | 92.5 | Very high | 78 Ų | 78 | 35 Ų | 35 | 48% | 0.479 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.1 | -41.1 | -177.7 | 42.4 | 0 | 0 | 0 | 0 | 112.2 | R318 S322 Q323 I324 | R318-T320 PolarHBondContact O-N 3.27Å; T320-S322 VanDerWaalsContact C-N 3.34Å; T320-S322 PolarHBondContact O-N 3.13Å; T320-Q323 PolarHBondContact O-N 3.47Å; T320-I324 WeakPolarHBondContact O-CG1 3.44Å; T320-I324 PolarHBondContact O-N 3.33Å; T320-I324 VanDerWaalsContact O-N 3.08Å |
| 321 | R | 91.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 4% | 0.038 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 175.6 | -63.8 | -173.4 | 176.7 | 81.1 | 9.6 | 112.1 | A279 A280 S282 T283 L289 R318 F319 Q323 I324 L325 | A279-R321 VanDerWaalsContact O-CD 3.3Å; A279-R321 WeakPolarHBondContact O-CD 3.36Å; A279-R321 PolarHBondContact O-NE 3.3Å; A280-R321 WeakPolarHBondContact O-CD 3.43Å; S282-R321 PolarHBondContact O-NE 3.35Å; S282-R321 PolarHBondContact O-NH1 2.99Å; S282-R321 PolarHBondContact O-NH2 2.81Å; T283-R321 PolarHBondContact O-NH2 3.46Å; L289-R321 HydrophobicContact CD1-CB 3.9Å; L289-R321 HydrophobicContact CD1-CG 4.06Å; R318-R321 HydrophobicContact CB-CB 3.91Å; R318-R321 HydrophobicContact CB-CG 4.07Å; R318-R321 PolarHBondContact O-N 3.24Å; F319-R321 VanDerWaalsContact C-N 3.33Å; F319-R321 PolarHBondContact O-N 3.46Å; R321-Q323 VanDerWaalsContact C-N 3.32Å; R321-Q323 PolarHBondContact O-N 3.42Å; R321-I324 PolarHBondContact O-N 2.9Å; R321-L325 VanDerWaalsContact O-CG 3.28Å; R321-L325 WeakPolarHBondContact O-CG 3.45Å; R321-L325 PolarHBondContact O-N 2.92Å |
| 322 | S | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 176.9 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | A313 R318 F319 T320 L325 I326 L354 | A313-S322 WeakPolarHBondContact CB-OG 3.34Å; R318-S322 PolarHBondContact O-N 3.46Å; R318-S322 PolarHBondContact O-OG 3.08Å; F319-S322 WeakPolarHBondContact O-CB 3.13Å; F319-S322 PolarHBondContact O-N 3.25Å; F319-S322 VanDerWaalsContact O-N 3.12Å; T320-S322 VanDerWaalsContact C-N 3.34Å; T320-S322 PolarHBondContact O-N 3.13Å; S322-L325 PolarHBondContact O-N 3.33Å; S322-I326 WeakPolarHBondContact O-CB 3.15Å; S322-I326 WeakPolarHBondContact O-CD1 3.44Å; S322-I326 WeakPolarHBondContact O-CG1 3.28Å; S322-I326 PolarHBondContact O-N 3.47Å; S322-L354 VanDerWaalsContact OG-CD1 3.22Å; S322-L354 WeakPolarHBondContact OG-CD1 3.34Å |
| 323 | Q | 92.2 | Very high | 92.1 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 174.9 | -70.8 | -175.1 | -40.8 | 0 | 0 | 112.2 | F319 T320 R321 L325 I326 Q327 T357 | F319-Q323 VanDerWaalsContact CE1-CD 3.47Å; F319-Q323 HydrophobicContact CE1-CG 4.36Å; F319-Q323 VanDerWaalsContact CE1-OE1 3.29Å; F319-Q323 VanDerWaalsContact CZ-CD 3.47Å; F319-Q323 HydrophobicContact CZ-CG 4.29Å; F319-Q323 PolarHBondContact O-N 3.32Å; T320-Q323 PolarHBondContact O-N 3.47Å; R321-Q323 VanDerWaalsContact C-N 3.32Å; R321-Q323 PolarHBondContact O-N 3.42Å; Q323-L325 VanDerWaalsContact C-N 3.32Å; Q323-L325 PolarHBondContact O-N 2.94Å; Q323-I326 PolarHBondContact O-N 3.23Å; Q323-Q327 WeakPolarHBondContact O-CB 3.45Å; Q323-Q327 VanDerWaalsContact O-CG 3.24Å; Q323-Q327 WeakPolarHBondContact O-CG 3.46Å; Q323-Q327 PolarHBondContact O-N 3.41Å; Q323-T357 HydrophobicContact CG-CG2 3.98Å |
| 324 | I | 92.5 | Very high | 92 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 177.9 | -64.6 | 159.6 | 0 | 0 | 0 | 110.4 | L289 E290 T320 R321 Q327 N328 | L289-I324 HydrophobicContact CD2-CB 3.89Å; L289-I324 HydrophobicContact CD2-CD1 4.36Å; L289-I324 HydrophobicContact CD2-CG2 3.44Å; L289-I324 VanDerWaalsContact CD2-CG2 3.44Å; E290-I324 HydrophobicContact CG-CD1 3.83Å; E290-I324 HydrophobicContact CG-CG2 4.18Å; E290-I324 WeakPolarHBondContact OE1-CD1 3.32Å; T320-I324 WeakPolarHBondContact O-CG1 3.44Å; T320-I324 PolarHBondContact O-N 3.33Å; T320-I324 VanDerWaalsContact O-N 3.08Å; R321-I324 PolarHBondContact O-N 2.9Å; I324-Q327 PolarHBondContact O-N 3.28Å; I324-N328 PolarHBondContact O-N 3.28Å; I324-N328 VanDerWaalsContact O-N 3.14Å; I324-N328 PolarHBondContact O-ND2 2.95Å |
| 325 | L | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 177.5 | -69.4 | 170.2 | 0 | 0 | 0 | 112 | L276 A280 L289 V299 P309 A313 R321 S322 Q323 N328 G329 S330 | L276-L325 HydrophobicContact CD1-CD2 4.25Å; L276-L325 HydrophobicContact CD2-CD2 4.18Å; L276-L325 HydrophobicContact CG-CD2 4.34Å; A280-L325 HydrophobicContact CB-CD1 4.39Å; L289-L325 HydrophobicContact CD1-CD1 4.44Å; L289-L325 HydrophobicContact CD1-CD2 4.4Å; L289-L325 HydrophobicContact CD1-CG 4.35Å; L289-L325 HydrophobicContact CD2-CD2 4.41Å; L289-L325 HydrophobicContact CD2-CG 4.46Å; V299-L325 HydrophobicContact CB-CD2 4.45Å; V299-L325 HydrophobicContact CG1-CD2 4.22Å; P309-L325 HydrophobicContact CB-CD1 3.87Å; P309-L325 HydrophobicContact CB-CD2 4.05Å; A313-L325 HydrophobicContact CB-CD1 4.38Å; R321-L325 VanDerWaalsContact O-CG 3.28Å; R321-L325 WeakPolarHBondContact O-CG 3.45Å; R321-L325 PolarHBondContact O-N 2.92Å; S322-L325 PolarHBondContact O-N 3.33Å; Q323-L325 VanDerWaalsContact C-N 3.32Å; Q323-L325 PolarHBondContact O-N 2.94Å; L325-N328 CarbonylContact O-C 3.58Å; L325-N328 PolarHBondContact O-N 2.94Å; L325-G329 PolarHBondContact O-N 3.1Å; L325-S330 VanDerWaalsContact C-CB 3.49Å; L325-S330 WeakPolarHBondContact O-CB 3.42Å; L325-S330 PolarHBondContact O-N 3.11Å |
| 326 | I | 93.7 | Very high | 92 | Very high | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 178.4 | -67.8 | 163.8 | 0 | 0 | 0 | 110.9 | L310 S322 Q323 N328 G329 I332 T357 L358 N361 | L310-I326 HydrophobicContact CD1-CD1 4.33Å; L310-I326 HydrophobicContact CD1-CG1 4.16Å; L310-I326 HydrophobicContact CD2-CG1 4.19Å; S322-I326 WeakPolarHBondContact O-CB 3.15Å; S322-I326 WeakPolarHBondContact O-CD1 3.44Å; S322-I326 WeakPolarHBondContact O-CG1 3.28Å; S322-I326 PolarHBondContact O-N 3.47Å; Q323-I326 PolarHBondContact O-N 3.23Å; I326-N328 PolarHBondContact O-N 3.27Å; I326-G329 PolarHBondContact O-N 3.47Å; I326-G329 VanDerWaalsContact O-N 3.1Å; I326-I332 HydrophobicContact CG2-CD1 4.35Å; I326-T357 HydrophobicContact CD1-CG2 4.19Å; I326-L358 HydrophobicContact CD1-CD2 4.04Å; I326-N361 HydrophobicContact CG2-CB 4.08Å |
| 327 | Q | 93 | Very high | 92.2 | Very high | 152 Ų | 152 | 48.9 Ų | 48.9 | 71% | 0.71 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.4 | -27.8 | 178.4 | -74.6 | 173.2 | -4.5 | 0 | 0 | 113 | Q323 I324 | Q323-Q327 WeakPolarHBondContact O-CB 3.45Å; Q323-Q327 VanDerWaalsContact O-CG 3.24Å; Q323-Q327 WeakPolarHBondContact O-CG 3.46Å; Q323-Q327 PolarHBondContact O-N 3.41Å; I324-Q327 PolarHBondContact O-N 3.28Å |
| 328 | N | 93.6 | Very high | 92.1 | Very high | 75 Ų | 75 | 52.8 Ų | 52.8 | 40% | 0.401 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 21.1 | 178.4 | -71.6 | -81.7 | 0 | 0 | 0 | 113.5 | V293 V299 I324 L325 I326 | V293-N328 HydrophobicContact CG1-CB 3.5Å; V293-N328 VanDerWaalsContact CG1-CB 3.5Å; V293-N328 WeakPolarHBondContact CG1-OD1 3.28Å; V299-N328 HydrophobicContact CG1-CB 4.28Å; I324-N328 PolarHBondContact O-N 3.28Å; I324-N328 VanDerWaalsContact O-N 3.14Å; I324-N328 PolarHBondContact O-ND2 2.95Å; L325-N328 CarbonylContact O-C 3.58Å; L325-N328 PolarHBondContact O-N 2.94Å; I326-N328 PolarHBondContact O-N 3.27Å |
| 329 | G | 91.7 | Very high | 92.1 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 51% | 0.505 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 23.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N300 L325 I326 E331 | N300-G329 PolarHBondContact ND2-O 3.18Å; N300-G329 VanDerWaalsContact ND2-O 3.08Å; L325-G329 PolarHBondContact O-N 3.1Å; I326-G329 PolarHBondContact O-N 3.47Å; I326-G329 VanDerWaalsContact O-N 3.1Å; G329-E331 PolarHBondContact O-N 2.87Å |
| 330 | S | 94.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 48 Ų | 48 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | trans | -62.7 | 132.4 | 171.4 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | N300 L310 L325 I332 | N300-S330 WeakPolarHBondContact OD1-CA 3.27Å; L310-S330 WeakPolarHBondContact CB-OG 3.46Å; L310-S330 WeakPolarHBondContact CD2-OG 3.14Å; L325-S330 VanDerWaalsContact C-CB 3.49Å; L325-S330 WeakPolarHBondContact O-CB 3.42Å; L325-S330 PolarHBondContact O-N 3.11Å; S330-I332 PolarHBondContact O-N 3.44Å | ||
| 331 | E | 93.7 | Very high | 92.7 | Very high | 116 Ų | 116 | 44.3 Ų | 44.3 | 54% | 0.542 | 24% | 0.236 | S | C | . | . | trans | -68.3 | 115.8 | 172.2 | -71.1 | 178.5 | -166.3 | 0 | 0 | 110.1 | N300 G329 C334 | N300-E331 PolarHBondContact OD1-N 3.03Å; G329-E331 PolarHBondContact O-N 2.87Å; E331-C334 HydrophobicContact CB-CB 3.96Å; E331-C334 PolarHBondContact O-SG 3.18Å | ||
| 332 | I | 91.8 | Very high | 92.8 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 16% | 0.159 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -38.6 | -172.1 | -63.2 | 171.4 | 0 | 0 | 0 | 111.7 | I326 S330 P342 L358 N361 A363 | I326-I332 HydrophobicContact CG2-CD1 4.35Å; S330-I332 PolarHBondContact O-N 3.44Å; I332-P342 VanDerWaalsContact O-CD 3.29Å; I332-P342 WeakPolarHBondContact O-CD 3.3Å; I332-L358 HydrophobicContact CG2-CD2 4.16Å; I332-N361 HydrophobicContact CD1-CB 3.57Å; I332-N361 WeakPolarHBondContact CD1-O 3.32Å; I332-A363 HydrophobicContact CG2-CB 3.49Å; I332-A363 VanDerWaalsContact CG2-CB 3.49Å |
| 333 | D | 91.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 25.9 | -179.8 | -69.2 | -39.3 | 0 | 0 | 0 | 113 | A335 T341 D364 | D333-A335 PolarHBondContact O-N 2.6Å; D333-T341 HydrophobicContact CB-CG2 4.45Å; D333-D364 PolarHBondContact OD1-N 2.74Å; D333-D364 VanDerWaalsContact OD1-N 3.13Å; D333-D364 PolarHBondContact OD2-N 3.33Å |
| 334 | C | 91.8 | Very high | 93 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | trans | -57.6 | 134.1 | 170.9 | 59.7 | 0 | 0 | 0 | 0 | 109.3 | S308 H311 E331 T341 P342 | S308-C334 PolarHBondContact OG-SG 3.14Å; H311-C334 PolarHBondContact CE1-O 3.43Å; H311-C334 PolarHBondContact CE1-SG 3.18Å; H311-C334 PolarHBondContact NE2-O 2.93Å; E331-C334 HydrophobicContact CB-CB 3.96Å; E331-C334 PolarHBondContact O-SG 3.18Å; C334-T341 WeakPolarHBondContact O-CA 3.25Å; C334-P342 WeakPolarHBondContact O-CD 3.24Å | ||
| 335 | A | 93.4 | Very high | 93.1 | Very high | 34 Ų | 34 | 40.3 Ų | 40.3 | 28% | 0.281 | 22% | 0.218 | S | C | . | . | trans | -102.5 | 134.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q302 D333 N340 | Q302-A335 PolarHBondContact NE2-O 3.38Å; D333-A335 PolarHBondContact O-N 2.6Å; A335-N340 WeakPolarHBondContact CA-O 3.19Å | ||
| 336 | D | 93.7 | Very high | 93.1 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | trans | -71.7 | 177.6 | 166.7 | 76.9 | 5.7 | 0 | 0 | 0 | 111.5 | K307 F338 G339 N340 | K307-D336 HydrophobicContact CG-CB 4.08Å; D336-F338 PolarHBondContact O-N 3.32Å; D336-F338 VanDerWaalsContact O-N 3.08Å; D336-F338 VanDerWaalsContact OD1-CA 3.29Å; D336-F338 WeakPolarHBondContact OD1-CA 3.47Å; D336-F338 WeakPolarHBondContact OD1-CB 3.48Å; D336-F338 PolarHBondContact OD1-N 3.2Å; D336-G339 PolarHBondContact O-N 3.45Å; D336-G339 PolarHBondContact OD1-N 3.4Å; D336-G339 VanDerWaalsContact OD1-N 3.07Å; D336-N340 PolarHBondContact N-O 2.93Å; D336-N340 PolarHBondContact OD1-N 2.69Å | ||
| 337 | K | 92.3 | Very high | 93.1 | Very high | 143 Ų | 143 | 39.4 Ų | 39.4 | 62% | 0.622 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.1 | 178.1 | -82.6 | -172 | 173.9 | 172.4 | 0 | 114.4 | K304 E305 G339 | K304-K337 WeakPolarHBondContact O-CD 3.23Å; K304-K337 WeakPolarHBondContact O-CE 3.4Å; K304-K337 PolarHBondContact O-NZ 3.35Å; E305-K337 WeakPolarHBondContact O-CB 3.41Å; E305-K337 PolarHBondContact O-N 3.47Å; K337-G339 VanDerWaalsContact C-N 3.34Å |
| 338 | F | 87.8 | Confident | 93.1 | Very high | 106 Ų | 106 | 37 Ų | 37 | 47% | 0.465 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 2.3 | 178.5 | -51 | -73.7 | 0 | 0 | 0 | 112.3 | D336 N340 I370 | D336-F338 PolarHBondContact O-N 3.32Å; D336-F338 VanDerWaalsContact O-N 3.08Å; D336-F338 VanDerWaalsContact OD1-CA 3.29Å; D336-F338 WeakPolarHBondContact OD1-CA 3.47Å; D336-F338 WeakPolarHBondContact OD1-CB 3.48Å; D336-F338 PolarHBondContact OD1-N 3.2Å; F338-N340 VanDerWaalsContact C-N 3.29Å; F338-I370 HydrophobicContact CB-CB 4.44Å; F338-I370 HydrophobicContact CB-CD1 4.36Å; F338-I370 HydrophobicContact CB-CG1 4.47Å; F338-I370 WeakPolarHBondContact O-CA 3.46Å; F338-I370 PolarHBondContact O-N 2.93Å |
| 339 | G | 90.7 | Very high | 93 | Very high | 24 Ų | 24 | 38.7 Ų | 38.7 | 25% | 0.247 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 82.3 | -0.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D336 K337 G369 | D336-G339 PolarHBondContact O-N 3.45Å; D336-G339 PolarHBondContact OD1-N 3.4Å; D336-G339 VanDerWaalsContact OD1-N 3.07Å; K337-G339 VanDerWaalsContact C-N 3.34Å; G339-G369 VanDerWaalsContact O-CA 3.32Å; G339-G369 WeakPolarHBondContact O-CA 3.26Å |
| 340 | N | 93.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | trans | -74.4 | 137.9 | -178.8 | -60.7 | -51.9 | 0 | 0 | 0 | 110.2 | H311 A335 D336 F338 H344 I370 | H311-N340 PolarHBondContact NE2-O 3.22Å; A335-N340 WeakPolarHBondContact CA-O 3.19Å; D336-N340 PolarHBondContact N-O 2.93Å; D336-N340 PolarHBondContact OD1-N 2.69Å; F338-N340 VanDerWaalsContact C-N 3.29Å; N340-H344 HydrophobicContact CB-CB 3.88Å; N340-I370 WeakPolarHBondContact OD1-CG2 3.39Å; N340-I370 PolarHBondContact OD1-N 3.32Å; N340-I370 VanDerWaalsContact OD1-N 3.07Å | ||
| 341 | T | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -92 | 167 | 168.8 | 67.7 | 0 | 0 | 0 | 0 | 110.8 | D333 C334 L343 H344 V345 R367 | D333-T341 HydrophobicContact CB-CG2 4.45Å; C334-T341 WeakPolarHBondContact O-CA 3.25Å; T341-L343 PolarHBondContact O-N 3.13Å; T341-L343 VanDerWaalsContact O-N 3.09Å; T341-L343 PolarHBondContact OG1-N 2.95Å; T341-H344 PolarHBondContact N-ND1 3.42Å; T341-H344 VanDerWaalsContact N-ND1 3.19Å; T341-H344 WeakPolarHBondContact O-CB 3.41Å; T341-H344 PolarHBondContact O-N 3.38Å; T341-H344 PolarHBondContact OG1-ND1 3.18Å; T341-V345 PolarHBondContact O-N 3.49Å; T341-V345 VanDerWaalsContact O-N 3.14Å; T341-R367 HydrophobicContact CG2-CB 4.49Å; T341-R367 HydrophobicContact CG2-CG 3.96Å | ||
| 342 | P | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -52.5 | -31.4 | 171.7 | -27.9 | 35.4 | 0 | 0 | 0 | 113.3 | L310 H311 A314 I332 C334 V345 A346 L358 | L310-P342 HydrophobicContact CB-CG 4.24Å; L310-P342 HydrophobicContact CD2-CB 4.16Å; L310-P342 HydrophobicContact CD2-CG 3.86Å; L310-P342 HydrophobicContact CG-CB 3.9Å; L310-P342 HydrophobicContact CG-CG 3.84Å; H311-P342 WeakPolarHBondContact NE2-CD 3.49Å; A314-P342 HydrophobicContact CB-CB 4.32Å; I332-P342 VanDerWaalsContact O-CD 3.29Å; I332-P342 WeakPolarHBondContact O-CD 3.3Å; C334-P342 WeakPolarHBondContact O-CD 3.24Å; P342-V345 PolarHBondContact O-N 3.28Å; P342-A346 WeakPolarHBondContact O-CB 3.28Å; P342-A346 PolarHBondContact O-N 3.12Å; P342-L358 HydrophobicContact CB-CD1 4.14Å; P342-L358 HydrophobicContact CB-CD2 4.3Å |
| 343 | L | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | 175.5 | -174.7 | 63.2 | 0 | 0 | 0 | 112.5 | T341 V345 A346 A347 I355 L358 M359 A363 T365 P375 L391 | T341-L343 PolarHBondContact O-N 3.13Å; T341-L343 VanDerWaalsContact O-N 3.09Å; T341-L343 PolarHBondContact OG1-N 2.95Å; L343-V345 VanDerWaalsContact C-N 3.31Å; L343-V345 PolarHBondContact O-N 3.37Å; L343-A346 PolarHBondContact O-N 3.41Å; L343-A347 VanDerWaalsContact O-CB 3.3Å; L343-A347 WeakPolarHBondContact O-CB 3.13Å; L343-A347 PolarHBondContact O-N 3.43Å; L343-I355 HydrophobicContact CD1-CB 4.28Å; L343-I355 HydrophobicContact CD1-CG1 4.14Å; L343-I355 HydrophobicContact CD1-CG2 4.07Å; L343-L358 HydrophobicContact CB-CD1 4.27Å; L343-L358 HydrophobicContact CD1-CB 4.22Å; L343-L358 HydrophobicContact CD1-CD1 4.28Å; L343-M359 HydrophobicContact CD1-CG 4.18Å; L343-M359 HydrophobicContact CD1-SD 4.5Å; L343-M359 HydrophobicContact CD2-CG 4.46Å; L343-A363 HydrophobicContact CB-CB 4.45Å; L343-A363 HydrophobicContact CD2-CB 4.01Å; L343-T365 HydrophobicContact CD2-CG2 4Å; L343-P375 HydrophobicContact CB-CG 4.4Å; L343-P375 HydrophobicContact CD2-CB 4.31Å; L343-P375 HydrophobicContact CD2-CG 3.88Å; L343-P375 HydrophobicContact CG-CB 3.98Å; L343-P375 HydrophobicContact CG-CG 3.88Å; L343-L391 HydrophobicContact CD1-CD2 4.34Å; L343-L391 HydrophobicContact CD2-CD2 4.48Å |
| 344 | H | 94.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 173.1 | -70.8 | 82.9 | 0 | 0 | 0 | 111.3 | N340 T341 A347 R348 R367 G369 M373 P375 L378 | N340-H344 HydrophobicContact CB-CB 3.88Å; T341-H344 PolarHBondContact N-ND1 3.42Å; T341-H344 VanDerWaalsContact N-ND1 3.19Å; T341-H344 WeakPolarHBondContact O-CB 3.41Å; T341-H344 PolarHBondContact O-N 3.38Å; T341-H344 PolarHBondContact OG1-ND1 3.18Å; H344-A347 PolarHBondContact O-N 2.95Å; H344-R348 WeakPolarHBondContact O-CB 3.38Å; H344-R348 PolarHBondContact O-N 2.97Å; H344-R367 PolarHBondContact CE1-O 3.12Å; H344-R367 PolarHBondContact NE2-O 3.27Å; H344-G369 PolarHBondContact NE2-N 2.99Å; H344-G369 VanDerWaalsContact NE2-N 3.15Å; H344-M373 PolarHBondContact CD2-O 3.22Å; H344-M373 PolarHBondContact NE2-O 3.46Å; H344-P375 WeakPolarHBondContact NE2-CD 2.97Å; H344-L378 HydrophobicContact CB-CD1 3.87Å |
| 345 | V | 94.2 | Very high | 92.8 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.4 | -47.3 | 178 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | A314 I315 T341 P342 L343 A347 R348 Y349 | A314-V345 HydrophobicContact CB-CB 4.08Å; A314-V345 HydrophobicContact CB-CG1 3.85Å; I315-V345 HydrophobicContact CB-CG1 4.27Å; I315-V345 HydrophobicContact CG1-CG1 3.47Å; I315-V345 VanDerWaalsContact CG1-CG1 3.47Å; T341-V345 PolarHBondContact O-N 3.49Å; T341-V345 VanDerWaalsContact O-N 3.14Å; P342-V345 PolarHBondContact O-N 3.28Å; L343-V345 VanDerWaalsContact C-N 3.31Å; L343-V345 PolarHBondContact O-N 3.37Å; V345-A347 VanDerWaalsContact C-N 3.31Å; V345-A347 PolarHBondContact O-N 3.04Å; V345-R348 WeakPolarHBondContact O-CB 3.48Å; V345-R348 PolarHBondContact O-N 3.47Å; V345-R348 VanDerWaalsContact O-N 3.14Å; V345-Y349 HydrophobicContact CG1-CD2 3.81Å; V345-Y349 HydrophobicContact CG1-CE2 3.94Å; V345-Y349 VanDerWaalsContact O-CD2 3.28Å; V345-Y349 WeakPolarHBondContact O-CD2 3.41Å; V345-Y349 PolarHBondContact O-N 3.45Å; V345-Y349 VanDerWaalsContact O-N 3.09Å |
| 346 | A | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | A314 P342 L343 Y349 G350 H351 L354 I355 L358 | A314-A346 HydrophobicContact CB-CB 4.41Å; P342-A346 WeakPolarHBondContact O-CB 3.28Å; P342-A346 PolarHBondContact O-N 3.12Å; L343-A346 PolarHBondContact O-N 3.41Å; A346-Y349 PolarHBondContact O-N 3.03Å; A346-G350 PolarHBondContact O-N 3.02Å; A346-H351 HydrophobicContact CB-CB 4.44Å; A346-H351 PolarHBondContact O-N 3.04Å; A346-L354 HydrophobicContact CB-CB 4.5Å; A346-L354 HydrophobicContact CB-CD2 4.04Å; A346-L354 HydrophobicContact CB-CG 4.25Å; A346-I355 HydrophobicContact CB-CG1 3.73Å; A346-L358 HydrophobicContact CB-CD1 4.21Å |
| 347 | A | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | L343 H344 V345 I355 P375 A379 L391 | L343-A347 VanDerWaalsContact O-CB 3.3Å; L343-A347 WeakPolarHBondContact O-CB 3.13Å; L343-A347 PolarHBondContact O-N 3.43Å; H344-A347 PolarHBondContact O-N 2.95Å; V345-A347 VanDerWaalsContact C-N 3.31Å; V345-A347 PolarHBondContact O-N 3.04Å; A347-I355 HydrophobicContact CB-CD1 4.24Å; A347-P375 HydrophobicContact CB-CB 3.97Å; A347-P375 VanDerWaalsContact CB-O 3.24Å; A347-P375 WeakPolarHBondContact CB-O 3.29Å; A347-A379 HydrophobicContact CB-CB 4.12Å; A347-A379 WeakPolarHBondContact O-CA 3.47Å; A347-L391 HydrophobicContact CB-CD1 4.25Å |
| 348 | R | 93.1 | Very high | 92.3 | Very high | 102 Ų | 102 | 31.4 Ų | 31.4 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.6 | -33.2 | 177.3 | 179.8 | 172.4 | -159 | 172.1 | 5.4 | 113.7 | H344 V345 L378 F382 F384 | H344-R348 WeakPolarHBondContact O-CB 3.38Å; H344-R348 PolarHBondContact O-N 2.97Å; V345-R348 WeakPolarHBondContact O-CB 3.48Å; V345-R348 PolarHBondContact O-N 3.47Å; V345-R348 VanDerWaalsContact O-N 3.14Å; R348-L378 HydrophobicContact CB-CB 4.43Å; R348-L378 HydrophobicContact CB-CD1 4.46Å; R348-F382 HydrophobicContact CB-CD2 4.48Å; R348-F382 HydrophobicContact CB-CE2 4.45Å; R348-F382 HydrophobicContact CG-CD2 3.95Å; R348-F382 HydrophobicContact CG-CE2 3.61Å; R348-F382 HydrophobicContact CG-CZ 4.1Å; R348-F384 WeakPolarHBondContact O-CE2 3.47Å |
| 349 | Y | 92 | Very high | 92.2 | Very high | 110 Ų | 110 | 28.2 Ų | 28.2 | 43% | 0.431 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -103.5 | 1.5 | -177.7 | -69.6 | -75.7 | 0 | 0 | 0 | 113.8 | I315 V345 A346 H351 | I315-Y349 HydrophobicContact CB-CE2 4.26Å; I315-Y349 HydrophobicContact CG1-CE2 4.03Å; I315-Y349 HydrophobicContact CG2-CE2 4Å; V345-Y349 HydrophobicContact CG1-CD2 3.81Å; V345-Y349 HydrophobicContact CG1-CE2 3.94Å; V345-Y349 VanDerWaalsContact O-CD2 3.28Å; V345-Y349 WeakPolarHBondContact O-CD2 3.41Å; V345-Y349 PolarHBondContact O-N 3.45Å; V345-Y349 VanDerWaalsContact O-N 3.09Å; A346-Y349 PolarHBondContact O-N 3.03Å; Y349-H351 VanDerWaalsContact CB-NE2 3.33Å; Y349-H351 WeakPolarHBondContact CB-NE2 3.18Å |
| 350 | G | 92.9 | Very high | 92 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 22% | 0.216 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 25 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A346 E352 F384 | A346-G350 PolarHBondContact O-N 3.02Å; G350-E352 PolarHBondContact O-N 2.98Å; G350-E352 VanDerWaalsContact O-N 3.09Å; G350-F384 VanDerWaalsContact CA-CD2 3.44Å; G350-F384 VanDerWaalsContact CA-CG 3.45Å |
| 351 | H | 94.1 | Very high | 91.6 | Very high | 49 Ų | 49 | 36 Ų | 36 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | trans | -86.5 | 78.3 | -175.2 | -60.9 | -55.5 | 0 | 0 | 0 | 112.4 | A314 I315 G317 A346 Y349 L353 L354 I355 | A314-H351 PolarHBondContact O-CD2 2.86Å; A314-H351 PolarHBondContact O-NE2 2.82Å; I315-H351 PolarHBondContact O-NE2 3.48Å; G317-H351 WeakPolarHBondContact CA-CE1 3.31Å; G317-H351 VanDerWaalsContact CA-CG 3.47Å; G317-H351 VanDerWaalsContact CA-ND1 3.32Å; G317-H351 WeakPolarHBondContact CA-ND1 3.37Å; G317-H351 PolarHBondContact N-CE1 3.1Å; G317-H351 PolarHBondContact N-NE2 2.95Å; A346-H351 HydrophobicContact CB-CB 4.44Å; A346-H351 PolarHBondContact O-N 3.04Å; Y349-H351 VanDerWaalsContact CB-NE2 3.33Å; Y349-H351 WeakPolarHBondContact CB-NE2 3.18Å; H351-L353 PolarHBondContact O-N 3.38Å; H351-L354 HydrophobicContact CB-CB 3.97Å; H351-L354 PolarHBondContact O-N 3.01Å; H351-L354 VanDerWaalsContact O-N 3.11Å; H351-I355 WeakPolarHBondContact O-CG1 3.3Å; H351-I355 PolarHBondContact O-N 3.11Å | ||
| 352 | E | 91.3 | Very high | 91.1 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 29% | 0.29 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -53.6 | -47.7 | -174.7 | -171.5 | -157.7 | 156.5 | 0 | 0 | 114.2 | G350 L354 I355 S356 D386 K390 | G350-E352 PolarHBondContact O-N 2.98Å; G350-E352 VanDerWaalsContact O-N 3.09Å; E352-L354 VanDerWaalsContact C-N 3.26Å; E352-L354 PolarHBondContact O-N 2.96Å; E352-I355 WeakPolarHBondContact O-CB 3.45Å; E352-I355 PolarHBondContact O-N 2.85Å; E352-S356 PolarHBondContact O-N 3.22Å; E352-S356 PolarHBondContact O-OG 2.91Å; E352-S356 VanDerWaalsContact O-OG 3.06Å; E352-D386 HydrophobicContact CG-CB 4.29Å; E352-K390 HydrophobicContact CG-CG 3.81Å; E352-K390 WeakPolarHBondContact OE1-CE 3.41Å; E352-K390 IonicContact OE1-NZ 3.71Å |
| 353 | L | 89.9 | Confident | 90.8 | Very high | 115 Ų | 115 | 38.8 Ų | 38.8 | 60% | 0.602 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.2 | -35.8 | -179.3 | -67.2 | 177.1 | 0 | 0 | 0 | 111.7 | F319 H351 T357 | F319-L353 HydrophobicContact CD2-CB 3.94Å; F319-L353 HydrophobicContact CE2-CB 4.32Å; H351-L353 PolarHBondContact O-N 3.38Å; L353-T357 PolarHBondContact O-N 3Å; L353-T357 PolarHBondContact O-OG1 3.39Å |
| 354 | L | 90.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74 | -40.8 | 178.6 | -176.1 | 61.5 | 0 | 0 | 0 | 111.5 | A314 S322 A346 H351 E352 S356 T357 L358 | A314-L354 HydrophobicContact CB-CD2 3.64Å; S322-L354 VanDerWaalsContact OG-CD1 3.22Å; S322-L354 WeakPolarHBondContact OG-CD1 3.34Å; A346-L354 HydrophobicContact CB-CB 4.5Å; A346-L354 HydrophobicContact CB-CD2 4.04Å; A346-L354 HydrophobicContact CB-CG 4.25Å; H351-L354 HydrophobicContact CB-CB 3.97Å; H351-L354 PolarHBondContact O-N 3.01Å; H351-L354 VanDerWaalsContact O-N 3.11Å; E352-L354 VanDerWaalsContact C-N 3.26Å; E352-L354 PolarHBondContact O-N 2.96Å; L354-S356 VanDerWaalsContact C-N 3.29Å; L354-S356 PolarHBondContact O-N 2.8Å; L354-T357 WeakPolarHBondContact O-CB 3.46Å; L354-T357 PolarHBondContact O-N 2.71Å; L354-T357 VanDerWaalsContact O-N 3.12Å; L354-L358 HydrophobicContact CD1-CD1 4.43Å; L354-L358 HydrophobicContact CD1-CG 4.26Å; L354-L358 HydrophobicContact CG-CD1 3.99Å; L354-L358 HydrophobicContact CG-CG 4.3Å; L354-L358 WeakPolarHBondContact O-CB 3.05Å; L354-L358 WeakPolarHBondContact O-CG 3.49Å; L354-L358 PolarHBondContact O-N 3.1Å |
| 355 | I | 91 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.9 | -49.9 | 171.4 | -71.9 | 174.1 | 0 | 0 | 0 | 109.8 | L343 A346 A347 H351 E352 T357 L358 M359 C387 K390 L391 | L343-I355 HydrophobicContact CD1-CB 4.28Å; L343-I355 HydrophobicContact CD1-CG1 4.14Å; L343-I355 HydrophobicContact CD1-CG2 4.07Å; A346-I355 HydrophobicContact CB-CG1 3.73Å; A347-I355 HydrophobicContact CB-CD1 4.24Å; H351-I355 WeakPolarHBondContact O-CG1 3.3Å; H351-I355 PolarHBondContact O-N 3.11Å; E352-I355 WeakPolarHBondContact O-CB 3.45Å; E352-I355 PolarHBondContact O-N 2.85Å; I355-T357 VanDerWaalsContact C-N 3.28Å; I355-T357 PolarHBondContact O-N 3.49Å; I355-L358 PolarHBondContact O-N 3.1Å; I355-M359 HydrophobicContact CB-SD 4.5Å; I355-M359 HydrophobicContact CG2-CG 4.47Å; I355-M359 HydrophobicContact CG2-SD 3.27Å; I355-M359 WeakPolarHBondContact CG2-SD 3.38Å; I355-M359 WeakPolarHBondContact O-CB 3.39Å; I355-M359 WeakPolarHBondContact O-CG 3.5Å; I355-M359 PolarHBondContact O-N 3.2Å; I355-M359 VanDerWaalsContact O-SD 3.34Å; I355-C387 HydrophobicContact CD1-CB 3.6Å; I355-C387 WeakPolarHBondContact CD1-SG 3.31Å; I355-K390 HydrophobicContact CG2-CB 4.38Å; I355-L391 HydrophobicContact CG2-CD2 3.97Å; I355-L391 HydrophobicContact CG2-CG 4.12Å |
| 356 | S | 88.8 | Confident | 89.7 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 23% | 0.231 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -39.1 | 178 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | E352 L354 T360 | E352-S356 PolarHBondContact O-N 3.22Å; E352-S356 PolarHBondContact O-OG 2.91Å; E352-S356 VanDerWaalsContact O-OG 3.06Å; L354-S356 VanDerWaalsContact C-N 3.29Å; L354-S356 PolarHBondContact O-N 2.8Å; S356-T360 WeakPolarHBondContact O-CB 3.43Å; S356-T360 VanDerWaalsContact O-CG2 3.28Å; S356-T360 WeakPolarHBondContact O-CG2 3.31Å; S356-T360 PolarHBondContact O-N 3Å; S356-T360 PolarHBondContact O-OG1 3.4Å |
| 357 | T | 88.5 | Confident | 89.4 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.6 | -47.9 | 177.9 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | F319 Q323 I326 L353 L354 I355 M359 T360 N361 | F319-T357 WeakPolarHBondContact CE2-OG1 3.2Å; Q323-T357 HydrophobicContact CG-CG2 3.98Å; I326-T357 HydrophobicContact CD1-CG2 4.19Å; L353-T357 PolarHBondContact O-N 3Å; L353-T357 PolarHBondContact O-OG1 3.39Å; L354-T357 WeakPolarHBondContact O-CB 3.46Å; L354-T357 PolarHBondContact O-N 2.71Å; L354-T357 VanDerWaalsContact O-N 3.12Å; I355-T357 VanDerWaalsContact C-N 3.28Å; I355-T357 PolarHBondContact O-N 3.49Å; T357-M359 VanDerWaalsContact C-N 3.29Å; T357-M359 PolarHBondContact O-N 3.38Å; T357-T360 WeakPolarHBondContact CA-OG1 3.25Å; T357-T360 PolarHBondContact O-N 2.96Å; T357-T360 PolarHBondContact O-OG1 3.48Å; T357-N361 PolarHBondContact O-N 3.16Å; T357-N361 VanDerWaalsContact O-N 3.08Å; T357-N361 PolarHBondContact O-ND2 2.92Å |
| 358 | L | 90.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 178.9 | -70.7 | 169.4 | 0 | 0 | 0 | 110.5 | L310 I326 I332 P342 L343 A346 L354 I355 N361 G362 A363 | L310-L358 HydrophobicContact CD1-CD2 4.4Å; L310-L358 HydrophobicContact CD2-CD2 4.02Å; L310-L358 HydrophobicContact CG-CD2 4.45Å; I326-L358 HydrophobicContact CD1-CD2 4.04Å; I332-L358 HydrophobicContact CG2-CD2 4.16Å; P342-L358 HydrophobicContact CB-CD1 4.14Å; P342-L358 HydrophobicContact CB-CD2 4.3Å; L343-L358 HydrophobicContact CB-CD1 4.27Å; L343-L358 HydrophobicContact CD1-CB 4.22Å; L343-L358 HydrophobicContact CD1-CD1 4.28Å; A346-L358 HydrophobicContact CB-CD1 4.21Å; L354-L358 HydrophobicContact CD1-CD1 4.43Å; L354-L358 HydrophobicContact CD1-CG 4.26Å; L354-L358 HydrophobicContact CG-CD1 3.99Å; L354-L358 HydrophobicContact CG-CG 4.3Å; L354-L358 WeakPolarHBondContact O-CB 3.05Å; L354-L358 WeakPolarHBondContact O-CG 3.49Å; L354-L358 PolarHBondContact O-N 3.1Å; I355-L358 PolarHBondContact O-N 3.1Å; L358-N361 CarbonylContact O-C 3.47Å; L358-N361 PolarHBondContact O-N 2.88Å; L358-G362 PolarHBondContact O-N 3.43Å; L358-A363 VanDerWaalsContact C-CB 3.5Å; L358-A363 HydrophobicContact CB-CB 3.92Å; L358-A363 WeakPolarHBondContact O-CB 3.47Å; L358-A363 PolarHBondContact O-N 3.45Å |
| 359 | M | 87.1 | Confident | 89 | Confident | 39 Ų | 39 | 50 Ų | 50 | 19% | 0.192 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 179.3 | -67.3 | 161.3 | 59.8 | 0 | 0 | 113.1 | L343 I355 T357 N361 G362 T365 L391 | L343-M359 HydrophobicContact CD1-CG 4.18Å; L343-M359 HydrophobicContact CD1-SD 4.5Å; L343-M359 HydrophobicContact CD2-CG 4.46Å; I355-M359 HydrophobicContact CB-SD 4.5Å; I355-M359 HydrophobicContact CG2-CG 4.47Å; I355-M359 HydrophobicContact CG2-SD 3.27Å; I355-M359 WeakPolarHBondContact CG2-SD 3.38Å; I355-M359 WeakPolarHBondContact O-CB 3.39Å; I355-M359 WeakPolarHBondContact O-CG 3.5Å; I355-M359 PolarHBondContact O-N 3.2Å; I355-M359 VanDerWaalsContact O-SD 3.34Å; T357-M359 VanDerWaalsContact C-N 3.29Å; T357-M359 PolarHBondContact O-N 3.38Å; M359-N361 PolarHBondContact O-N 3.39Å; M359-G362 PolarHBondContact O-N 3.42Å; M359-T365 HydrophobicContact CE-CG2 4.31Å; M359-T365 HydrophobicContact CG-CG2 4.05Å; M359-T365 HydrophobicContact SD-CG2 4.47Å; M359-L391 HydrophobicContact SD-CD2 3.89Å |
| 360 | T | 86.4 | Confident | 88.8 | Confident | 117 Ų | 117 | 46.8 Ų | 46.8 | 72% | 0.718 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.5 | -25.2 | 175.4 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | S356 T357 | S356-T360 WeakPolarHBondContact O-CB 3.43Å; S356-T360 VanDerWaalsContact O-CG2 3.28Å; S356-T360 WeakPolarHBondContact O-CG2 3.31Å; S356-T360 PolarHBondContact O-N 3Å; S356-T360 PolarHBondContact O-OG1 3.4Å; T357-T360 WeakPolarHBondContact CA-OG1 3.25Å; T357-T360 PolarHBondContact O-N 2.96Å; T357-T360 PolarHBondContact O-OG1 3.48Å |
| 361 | N | 86.3 | Confident | 88.6 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 43% | 0.428 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 7.4 | 174.1 | -69.7 | -87.9 | 0 | 0 | 0 | 113.2 | I326 I332 T357 L358 M359 | I326-N361 HydrophobicContact CG2-CB 4.08Å; I332-N361 HydrophobicContact CD1-CB 3.57Å; I332-N361 WeakPolarHBondContact CD1-O 3.32Å; T357-N361 PolarHBondContact O-N 3.16Å; T357-N361 VanDerWaalsContact O-N 3.08Å; T357-N361 PolarHBondContact O-ND2 2.92Å; L358-N361 CarbonylContact O-C 3.47Å; L358-N361 PolarHBondContact O-N 2.88Å; M359-N361 PolarHBondContact O-N 3.39Å |
| 362 | G | 84.5 | Confident | 88.4 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 20 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | L358 M359 | L358-G362 PolarHBondContact O-N 3.43Å; M359-G362 PolarHBondContact O-N 3.42Å |
| 363 | A | 88.8 | Confident | 88.4 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | trans | -60.5 | 134.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I332 L343 L358 T365 | I332-A363 HydrophobicContact CG2-CB 3.49Å; I332-A363 VanDerWaalsContact CG2-CB 3.49Å; L343-A363 HydrophobicContact CB-CB 4.45Å; L343-A363 HydrophobicContact CD2-CB 4.01Å; L358-A363 VanDerWaalsContact C-CB 3.5Å; L358-A363 HydrophobicContact CB-CB 3.92Å; L358-A363 WeakPolarHBondContact O-CB 3.47Å; L358-A363 PolarHBondContact O-N 3.45Å; A363-T365 PolarHBondContact O-N 3.26Å | ||
| 364 | D | 86.8 | Confident | 88.5 | Confident | 63 Ų | 63 | 43 Ų | 43 | 34% | 0.337 | 23% | 0.234 | S | C | . | . | trans | -75.4 | 110.6 | 177.4 | -178.2 | 6 | 0 | 0 | 0 | 111.5 | D333 A366 R367 | D333-D364 PolarHBondContact OD1-N 2.74Å; D333-D364 VanDerWaalsContact OD1-N 3.13Å; D333-D364 PolarHBondContact OD2-N 3.33Å; D364-A366 VanDerWaalsContact C-N 3.29Å; D364-A366 PolarHBondContact O-N 3.49Å; D364-A366 WeakPolarHBondContact OD1-CA 3.46Å; D364-A366 WeakPolarHBondContact OD1-CB 3.38Å; D364-A366 PolarHBondContact OD1-N 2.85Å; D364-R367 HydrophobicContact CB-CB 4.13Å; D364-R367 PolarHBondContact OD1-N 2.85Å | ||
| 365 | T | 87.1 | Confident | 88.6 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 10% | 0.104 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -15.4 | 178.6 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | L343 M359 A363 P375 L391 | L343-T365 HydrophobicContact CD2-CG2 4Å; M359-T365 HydrophobicContact CE-CG2 4.31Å; M359-T365 HydrophobicContact CG-CG2 4.05Å; M359-T365 HydrophobicContact SD-CG2 4.47Å; A363-T365 PolarHBondContact O-N 3.26Å; T365-P375 WeakPolarHBondContact O-CD 3.24Å; T365-L391 HydrophobicContact CG2-CD2 4.32Å |
| 366 | A | 86.7 | Confident | 88.6 | Confident | 30 Ų | 30 | 43 Ų | 43 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -0.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | D364 R368 F374 F414 | D364-A366 VanDerWaalsContact C-N 3.29Å; D364-A366 PolarHBondContact O-N 3.49Å; D364-A366 WeakPolarHBondContact OD1-CA 3.46Å; D364-A366 WeakPolarHBondContact OD1-CB 3.38Å; D364-A366 PolarHBondContact OD1-N 2.85Å; A366-R368 PolarHBondContact O-N 2.93Å; A366-F374 WeakPolarHBondContact O-CD1 3.48Å; A366-F374 WeakPolarHBondContact O-CE1 3.45Å; A366-F414 HydrophobicContact CB-CB 3.84Å; A366-F414 HydrophobicContact CB-CD1 4.41Å |
| 367 | R | 88 | Confident | 88.8 | Confident | 106 Ų | 106 | 41.5 Ų | 41.5 | 40% | 0.4 | 22% | 0.223 | S | C | . | . | trans | -63.3 | 136.7 | -179.3 | -166.1 | 137.1 | 179.5 | 122.4 | -3.8 | 110.5 | T341 H344 D364 | T341-R367 HydrophobicContact CG2-CB 4.49Å; T341-R367 HydrophobicContact CG2-CG 3.96Å; H344-R367 PolarHBondContact CE1-O 3.12Å; H344-R367 PolarHBondContact NE2-O 3.27Å; D364-R367 HydrophobicContact CB-CB 4.13Å; D364-R367 PolarHBondContact OD1-N 2.85Å | ||
| 368 | R | 89.4 | Confident | 88.9 | Confident | 129 Ų | 129 | 41.3 Ų | 41.3 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | trans | -91.6 | 118.3 | 179.6 | -69.5 | -175.2 | -177.9 | -162.5 | 2.2 | 110.1 | A366 D372 F374 | A366-R368 PolarHBondContact O-N 2.93Å; R368-D372 IonicContact CZ-OD2 3.89Å; R368-D372 IonicContact NH1-OD2 2.74Å; R368-D372 PolarHBondContact NH1-OD2 3.4Å; R368-F374 HydrophobicContact CG-CD1 4.08Å; R368-F374 HydrophobicContact CG-CE1 3.65Å | ||
| 369 | G | 88.9 | Confident | 89.1 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | trans | -99 | -139 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G339 H344 H371 D372 M373 | G339-G369 VanDerWaalsContact O-CA 3.32Å; G339-G369 WeakPolarHBondContact O-CA 3.26Å; H344-G369 PolarHBondContact NE2-N 2.99Å; H344-G369 VanDerWaalsContact NE2-N 3.15Å; G369-H371 PolarHBondContact O-N 3.46Å; G369-D372 PolarHBondContact O-N 3.15Å; G369-D372 VanDerWaalsContact O-N 3.13Å; G369-M373 PolarHBondContact N-O 3.1Å | ||
| 370 | I | 88.3 | Confident | 89.3 | Confident | 43 Ų | 43 | 39.4 Ų | 39.4 | 22% | 0.221 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -57.7 | 134 | 179.7 | -164.8 | 173.1 | 0 | 0 | 0 | 111.2 | F338 N340 D372 M373 | F338-I370 HydrophobicContact CB-CB 4.44Å; F338-I370 HydrophobicContact CB-CD1 4.36Å; F338-I370 HydrophobicContact CB-CG1 4.47Å; F338-I370 WeakPolarHBondContact O-CA 3.46Å; F338-I370 PolarHBondContact O-N 2.93Å; N340-I370 WeakPolarHBondContact OD1-CG2 3.39Å; N340-I370 PolarHBondContact OD1-N 3.32Å; N340-I370 VanDerWaalsContact OD1-N 3.07Å; I370-D372 PolarHBondContact O-N 3.44Å; I370-M373 VanDerWaalsContact O-CB 3.24Å; I370-M373 WeakPolarHBondContact O-CB 3.31Å; I370-M373 WeakPolarHBondContact O-CG 3.34Å; I370-M373 PolarHBondContact O-N 3.08Å |
| 371 | H | 88.4 | Confident | 89.6 | Confident | 104 Ų | 104 | 35.5 Ų | 35.5 | 48% | 0.481 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | 55.5 | 28.3 | -176.8 | -53.7 | -59 | 0 | 0 | 0 | 115 | G369 M373 D420 N421 | G369-H371 PolarHBondContact O-N 3.46Å; H371-M373 HydrophobicContact CB-CG 4.24Å; H371-M373 PolarHBondContact O-N 3.4Å; H371-D420 WeakPolarHBondContact O-CB 3.39Å; H371-N421 VanDerWaalsContact C-ND2 3.25Å; H371-N421 HydrophobicContact CB-CB 4.49Å; H371-N421 VanDerWaalsContact O-CB 3.31Å; H371-N421 WeakPolarHBondContact O-CB 3.16Å; H371-N421 PolarHBondContact O-N 3.45Å |
| 372 | D | 89.6 | Confident | 89.7 | Confident | 48 Ų | 48 | 35 Ų | 35 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | 59.7 | 21.1 | -173.6 | -74.8 | 33.8 | 0 | 0 | 0 | 113.3 | R368 G369 I370 N421 | R368-D372 IonicContact CZ-OD2 3.89Å; R368-D372 IonicContact NH1-OD2 2.74Å; R368-D372 PolarHBondContact NH1-OD2 3.4Å; G369-D372 PolarHBondContact O-N 3.15Å; G369-D372 VanDerWaalsContact O-N 3.13Å; I370-D372 PolarHBondContact O-N 3.44Å; D372-N421 HydrophobicContact CB-CB 4.43Å; D372-N421 WeakPolarHBondContact CB-OD1 3.48Å; D372-N421 VanDerWaalsContact CG-CG 3.43Å; D372-N421 VanDerWaalsContact CG-ND2 3.32Å; D372-N421 PolarHBondContact N-ND2 3.44Å; D372-N421 PolarHBondContact OD1-ND2 3.36Å; D372-N421 PolarHBondContact OD1-OD1 3.46Å; D372-N421 PolarHBondContact OD2-OD1 3.32Å |
| 373 | M | 90.8 | Very high | 90 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | trans | -77.1 | 135.9 | 177 | -67.3 | 179.9 | 75.4 | 0 | 0 | 110.4 | H344 G369 I370 H371 H377 L378 L381 D420 | H344-M373 PolarHBondContact CD2-O 3.22Å; H344-M373 PolarHBondContact NE2-O 3.46Å; G369-M373 PolarHBondContact N-O 3.1Å; I370-M373 VanDerWaalsContact O-CB 3.24Å; I370-M373 WeakPolarHBondContact O-CB 3.31Å; I370-M373 WeakPolarHBondContact O-CG 3.34Å; I370-M373 PolarHBondContact O-N 3.08Å; H371-M373 HydrophobicContact CB-CG 4.24Å; H371-M373 PolarHBondContact O-N 3.4Å; M373-H377 HydrophobicContact CB-CB 3.99Å; M373-H377 HydrophobicContact CE-CB 3.49Å; M373-H377 VanDerWaalsContact CE-CB 3.49Å; M373-H377 HydrophobicContact CG-CB 4.28Å; M373-L378 HydrophobicContact CE-CD2 3.78Å; M373-L378 HydrophobicContact CE-CG 4.38Å; M373-L378 HydrophobicContact SD-CD2 4.07Å; M373-L381 HydrophobicContact CE-CD2 4.12Å; M373-D420 HydrophobicContact CG-CB 3.94Å | ||
| 374 | F | 91.4 | Very high | 90.2 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | trans | -73.9 | 162.9 | 165.6 | -57 | -32.4 | 0 | 0 | 0 | 111.7 | A366 R368 L376 H377 L378 F414 T418 | A366-F374 WeakPolarHBondContact O-CD1 3.48Å; A366-F374 WeakPolarHBondContact O-CE1 3.45Å; R368-F374 HydrophobicContact CG-CD1 4.08Å; R368-F374 HydrophobicContact CG-CE1 3.65Å; F374-L376 PolarHBondContact O-N 3.13Å; F374-H377 WeakPolarHBondContact CB-ND1 3.37Å; F374-H377 AromaticContact CD2-CE1 3.66Å; F374-H377 AromaticContact CD2-ND1 3.73Å; F374-H377 AromaticContact CG-ND1 3.73Å; F374-H377 PolarHBondContact N-ND1 2.77Å; F374-H377 VanDerWaalsContact N-ND1 3.19Å; F374-H377 WeakPolarHBondContact O-CB 3.42Å; F374-H377 PolarHBondContact O-N 2.76Å; F374-L378 PolarHBondContact O-N 3Å; F374-F414 AromaticContact CD2-CD2 3.91Å; F374-F414 HydrophobicContact CD2-CD2 3.91Å; F374-F414 HydrophobicContact CD2-CE2 4.41Å; F374-F414 HydrophobicContact CD2-CG 4.27Å; F374-F414 HydrophobicContact CE2-CB 4Å; F374-F414 AromaticContact CE2-CD2 3.96Å; F374-F414 HydrophobicContact CE2-CD2 3.96Å; F374-F414 HydrophobicContact CE2-CG 4.18Å; F374-F414 HydrophobicContact CZ-CB 4.39Å; F374-T418 HydrophobicContact CE2-CG2 3.94Å; F374-T418 HydrophobicContact CZ-CG2 3.67Å | ||
| 375 | P | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.3 | -37.4 | 170 | -25.2 | 34.7 | 0 | 0 | 0 | 112.6 | L343 H344 A347 T365 H377 L378 A379 L391 | L343-P375 HydrophobicContact CB-CG 4.4Å; L343-P375 HydrophobicContact CD2-CB 4.31Å; L343-P375 HydrophobicContact CD2-CG 3.88Å; L343-P375 HydrophobicContact CG-CB 3.98Å; L343-P375 HydrophobicContact CG-CG 3.88Å; H344-P375 WeakPolarHBondContact NE2-CD 2.97Å; A347-P375 HydrophobicContact CB-CB 3.97Å; A347-P375 VanDerWaalsContact CB-O 3.24Å; A347-P375 WeakPolarHBondContact CB-O 3.29Å; T365-P375 WeakPolarHBondContact O-CD 3.24Å; P375-H377 PolarHBondContact O-N 3.11Å; P375-L378 PolarHBondContact O-N 3.37Å; P375-A379 PolarHBondContact O-N 3.33Å; P375-L391 HydrophobicContact CB-CD1 4.33Å; P375-L391 HydrophobicContact CB-CD2 4.38Å |
| 376 | L | 92.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 177.3 | -177.9 | 64.9 | 0 | 0 | 0 | 112.3 | F374 L378 A379 V380 C388 L391 L392 F414 C426 L442 | F374-L376 PolarHBondContact O-N 3.13Å; L376-L378 PolarHBondContact O-N 3.13Å; L376-A379 PolarHBondContact O-N 3.48Å; L376-V380 HydrophobicContact CD1-CG1 3.96Å; L376-V380 HydrophobicContact CG-CG1 4.37Å; L376-V380 WeakPolarHBondContact O-CG1 3.39Å; L376-V380 WeakPolarHBondContact O-CG2 3.37Å; L376-V380 PolarHBondContact O-N 3.39Å; L376-C388 HydrophobicContact CD1-CB 4.31Å; L376-L391 HydrophobicContact CB-CD1 4.38Å; L376-L391 HydrophobicContact CD1-CB 4.01Å; L376-L391 HydrophobicContact CD1-CD1 4.34Å; L376-L392 HydrophobicContact CD1-CG 4.26Å; L376-L392 HydrophobicContact CD2-CD2 3.73Å; L376-L392 HydrophobicContact CD2-CG 4.34Å; L376-F414 HydrophobicContact CB-CE2 4.39Å; L376-F414 HydrophobicContact CB-CZ 4.1Å; L376-F414 HydrophobicContact CD2-CE2 3.63Å; L376-F414 HydrophobicContact CD2-CZ 3.75Å; L376-C426 HydrophobicContact CD2-CB 4.44Å; L376-L442 HydrophobicContact CD2-CD2 4.09Å |
| 377 | H | 92.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.3 | -38 | 178 | -71.4 | 95.9 | 0 | 0 | 0 | 111.4 | M373 F374 P375 V380 L381 T418 C426 | M373-H377 HydrophobicContact CB-CB 3.99Å; M373-H377 HydrophobicContact CE-CB 3.49Å; M373-H377 VanDerWaalsContact CE-CB 3.49Å; M373-H377 HydrophobicContact CG-CB 4.28Å; F374-H377 WeakPolarHBondContact CB-ND1 3.37Å; F374-H377 AromaticContact CD2-CE1 3.66Å; F374-H377 AromaticContact CD2-ND1 3.73Å; F374-H377 AromaticContact CG-ND1 3.73Å; F374-H377 PolarHBondContact N-ND1 2.77Å; F374-H377 VanDerWaalsContact N-ND1 3.19Å; F374-H377 WeakPolarHBondContact O-CB 3.42Å; F374-H377 PolarHBondContact O-N 2.76Å; P375-H377 PolarHBondContact O-N 3.11Å; H377-V380 WeakPolarHBondContact O-CG2 3.29Å; H377-L381 WeakPolarHBondContact O-CB 3.36Å; H377-L381 PolarHBondContact O-N 3.24Å; H377-L381 VanDerWaalsContact O-N 3.12Å; H377-T418 PolarHBondContact CE1-O 3.06Å; H377-T418 PolarHBondContact NE2-O 3.07Å; H377-C426 PolarHBondContact CD2-N 3.49Å; H377-C426 PolarHBondContact CD2-SG 3.5Å; H377-C426 PolarHBondContact CE1-SG 2.92Å; H377-C426 VanDerWaalsContact CG-SG 3.51Å; H377-C426 PolarHBondContact NE2-N 2.99Å; H377-C426 PolarHBondContact NE2-SG 3.46Å; H377-C426 VanDerWaalsContact NE2-SG 3.38Å |
| 378 | L | 92.1 | Very high | 91 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71 | -48.9 | 176.5 | -63.1 | 173.7 | 0 | 0 | 0 | 111.1 | H344 R348 M373 F374 P375 L376 V380 L381 F382 | H344-L378 HydrophobicContact CB-CD1 3.87Å; R348-L378 HydrophobicContact CB-CB 4.43Å; R348-L378 HydrophobicContact CB-CD1 4.46Å; M373-L378 HydrophobicContact CE-CD2 3.78Å; M373-L378 HydrophobicContact CE-CG 4.38Å; M373-L378 HydrophobicContact SD-CD2 4.07Å; F374-L378 PolarHBondContact O-N 3Å; P375-L378 PolarHBondContact O-N 3.37Å; L376-L378 PolarHBondContact O-N 3.13Å; L378-V380 VanDerWaalsContact C-N 3.28Å; L378-V380 PolarHBondContact O-N 2.82Å; L378-L381 PolarHBondContact O-N 3.18Å; L378-F382 HydrophobicContact CD2-CE2 4.33Å; L378-F382 WeakPolarHBondContact O-CD2 3.46Å; L378-F382 PolarHBondContact O-N 2.74Å |
| 379 | A | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.1 | -44.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A347 P375 L376 G383 F384 C387 L391 | A347-A379 HydrophobicContact CB-CB 4.12Å; A347-A379 WeakPolarHBondContact O-CA 3.47Å; P375-A379 PolarHBondContact O-N 3.33Å; L376-A379 PolarHBondContact O-N 3.48Å; A379-G383 PolarHBondContact O-N 3.38Å; A379-G383 VanDerWaalsContact O-N 3.09Å; A379-F384 PolarHBondContact O-N 3.06Å; A379-C387 HydrophobicContact CB-CB 4.02Å; A379-L391 HydrophobicContact CB-CD1 3.95Å |
| 380 | V | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -76.6 | -33.4 | -178.8 | -57 | 0 | 0 | 0 | 0 | 113.1 | L376 H377 L378 F382 G383 C388 C426 A429 A430 C438 L442 | L376-V380 HydrophobicContact CD1-CG1 3.96Å; L376-V380 HydrophobicContact CG-CG1 4.37Å; L376-V380 WeakPolarHBondContact O-CG1 3.39Å; L376-V380 WeakPolarHBondContact O-CG2 3.37Å; L376-V380 PolarHBondContact O-N 3.39Å; H377-V380 WeakPolarHBondContact O-CG2 3.29Å; L378-V380 VanDerWaalsContact C-N 3.28Å; L378-V380 PolarHBondContact O-N 2.82Å; V380-F382 VanDerWaalsContact C-N 3.29Å; V380-F382 PolarHBondContact O-N 3.08Å; V380-G383 PolarHBondContact O-N 2.91Å; V380-C388 HydrophobicContact CG1-CB 3.92Å; V380-C388 VanDerWaalsContact CG1-SG 3.53Å; V380-C426 HydrophobicContact CG2-CB 4.46Å; V380-C426 WeakPolarHBondContact CG2-O 3.37Å; V380-A429 HydrophobicContact CG2-CB 3.8Å; V380-A430 HydrophobicContact CB-CB 4.04Å; V380-A430 HydrophobicContact CG2-CB 4.24Å; V380-C438 HydrophobicContact CB-CB 4.29Å; V380-C438 HydrophobicContact CG1-CB 4.23Å; V380-L442 HydrophobicContact CB-CD1 4.44Å; V380-L442 HydrophobicContact CG1-CD1 4.15Å; V380-L442 HydrophobicContact CG1-CD2 4.45Å; V380-L442 HydrophobicContact CG2-CD1 4.47Å |
| 381 | L | 91.1 | Very high | 91 | Very high | 35 Ų | 35 | 31.9 Ų | 31.9 | 18% | 0.183 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 175.2 | -178.1 | 63.3 | 0 | 0 | 0 | 112.3 | M373 H377 L378 A429 G433 R504 | M373-L381 HydrophobicContact CE-CD2 4.12Å; H377-L381 WeakPolarHBondContact O-CB 3.36Å; H377-L381 PolarHBondContact O-N 3.24Å; H377-L381 VanDerWaalsContact O-N 3.12Å; L378-L381 PolarHBondContact O-N 3.18Å; L381-A429 HydrophobicContact CB-CB 4.21Å; L381-G433 WeakPolarHBondContact O-CA 3.41Å; L381-R504 PolarHBondContact O-NH2 3.17Å |
| 382 | F | 89.4 | Confident | 90.9 | Very high | 68 Ų | 68 | 27.7 Ų | 27.7 | 30% | 0.298 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -0.9 | 176.2 | -67.5 | -76.5 | 0 | 0 | 0 | 113.2 | R348 L378 V380 F384 | R348-F382 HydrophobicContact CB-CD2 4.48Å; R348-F382 HydrophobicContact CB-CE2 4.45Å; R348-F382 HydrophobicContact CG-CD2 3.95Å; R348-F382 HydrophobicContact CG-CE2 3.61Å; R348-F382 HydrophobicContact CG-CZ 4.1Å; L378-F382 HydrophobicContact CD2-CE2 4.33Å; L378-F382 WeakPolarHBondContact O-CD2 3.46Å; L378-F382 PolarHBondContact O-N 2.74Å; V380-F382 VanDerWaalsContact C-N 3.29Å; V380-F382 PolarHBondContact O-N 3.08Å; F382-F384 HydrophobicContact CB-CD2 3.75Å; F382-F384 HydrophobicContact CB-CE2 3.45Å; F382-F384 VanDerWaalsContact CB-CE2 3.45Å; F382-F384 HydrophobicContact CB-CZ 4.36Å; F382-F384 HydrophobicContact CG-CE2 4.43Å |
| 383 | G | 89.8 | Confident | 90.3 | Very high | 17 Ų | 17 | 27.9 Ų | 27.9 | 18% | 0.175 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 27.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | A379 V380 S385 N435 | A379-G383 PolarHBondContact O-N 3.38Å; A379-G383 VanDerWaalsContact O-N 3.09Å; V380-G383 PolarHBondContact O-N 2.91Å; G383-S385 PolarHBondContact O-N 3.33Å; G383-N435 PolarHBondContact O-ND2 3.34Å |
| 384 | F | 93.3 | Very high | 88.9 | Confident | 71 Ų | 71 | 28.3 Ų | 28.3 | 31% | 0.311 | 14% | 0.142 | S | C | . | . | trans | -89.2 | 91.2 | 176.4 | -60.3 | -62.5 | 0 | 0 | 0 | 110.9 | R348 G350 A379 F382 D386 C387 C388 | R348-F384 WeakPolarHBondContact O-CE2 3.47Å; G350-F384 VanDerWaalsContact CA-CD2 3.44Å; G350-F384 VanDerWaalsContact CA-CG 3.45Å; A379-F384 PolarHBondContact O-N 3.06Å; F382-F384 HydrophobicContact CB-CD2 3.75Å; F382-F384 HydrophobicContact CB-CE2 3.45Å; F382-F384 VanDerWaalsContact CB-CE2 3.45Å; F382-F384 HydrophobicContact CB-CZ 4.36Å; F382-F384 HydrophobicContact CG-CE2 4.43Å; F384-D386 PolarHBondContact O-N 3.33Å; F384-C387 HydrophobicContact CB-CB 3.78Å; F384-C387 PolarHBondContact O-N 2.78Å; F384-C388 WeakPolarHBondContact O-CB 3.44Å; F384-C388 PolarHBondContact O-N 2.63Å | ||
| 385 | S | 92.1 | Very high | 87.1 | Confident | 13 Ų | 13 | 28.1 Ų | 28.1 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -35.6 | -175 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | G383 C388 R389 E437 C438 | G383-S385 PolarHBondContact O-N 3.33Å; S385-C388 WeakPolarHBondContact O-CB 3.44Å; S385-C388 PolarHBondContact O-N 3.08Å; S385-R389 WeakPolarHBondContact O-CB 3.15Å; S385-R389 PolarHBondContact O-N 3.46Å; S385-E437 VanDerWaalsContact CB-OE2 3.27Å; S385-E437 WeakPolarHBondContact CB-OE2 3.31Å; S385-E437 PolarHBondContact OG-OE2 3.17Å; S385-C438 VanDerWaalsContact CA-SG 3.52Å |
| 386 | D | 91.9 | Very high | 84.8 | Confident | 85 Ų | 85 | 33.3 Ų | 33.3 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.2 | -41.9 | 175.1 | -64.5 | -44.2 | 0 | 0 | 0 | 112.2 | E352 F384 R389 K390 | E352-D386 HydrophobicContact CG-CB 4.29Å; F384-D386 PolarHBondContact O-N 3.33Å; D386-R389 WeakPolarHBondContact O-CB 3.21Å; D386-R389 PolarHBondContact O-N 3.33Å; D386-K390 WeakPolarHBondContact O-CG 3.47Å; D386-K390 PolarHBondContact O-N 2.83Å |
| 387 | C | 91.5 | Very high | 82.4 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 174.2 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | I355 A379 F384 K390 L391 | I355-C387 HydrophobicContact CD1-CB 3.6Å; I355-C387 WeakPolarHBondContact CD1-SG 3.31Å; A379-C387 HydrophobicContact CB-CB 4.02Å; F384-C387 HydrophobicContact CB-CB 3.78Å; F384-C387 PolarHBondContact O-N 2.78Å; C387-K390 PolarHBondContact O-N 3.32Å; C387-L391 WeakPolarHBondContact O-CB 3.47Å; C387-L391 VanDerWaalsContact O-CG 3.29Å; C387-L391 WeakPolarHBondContact O-CG 3.11Å; C387-L391 PolarHBondContact O-N 2.92Å |
| 388 | C | 91.1 | Very high | 80 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.3 | -49.9 | 172.8 | 177.7 | 0 | 0 | 0 | 0 | 111 | L376 V380 F384 S385 K390 L391 L392 | L376-C388 HydrophobicContact CD1-CB 4.31Å; V380-C388 HydrophobicContact CG1-CB 3.92Å; V380-C388 VanDerWaalsContact CG1-SG 3.53Å; F384-C388 WeakPolarHBondContact O-CB 3.44Å; F384-C388 PolarHBondContact O-N 2.63Å; S385-C388 WeakPolarHBondContact O-CB 3.44Å; S385-C388 PolarHBondContact O-N 3.08Å; C388-K390 PolarHBondContact O-N 3.43Å; C388-L391 PolarHBondContact O-N 3.24Å; C388-L392 WeakPolarHBondContact O-CB 3.41Å; C388-L392 VanDerWaalsContact O-CG 3.31Å; C388-L392 WeakPolarHBondContact O-CG 3.49Å; C388-L392 PolarHBondContact O-N 2.85Å |
| 389 | R | 89.9 | Confident | 77.4 | Confident | 118 Ų | 118 | 50 Ų | 50 | 45% | 0.445 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.3 | -49.1 | 177.8 | -172.9 | -174.5 | -56.3 | -75.3 | -2.5 | 111.7 | S385 D386 L392 S393 L441 | S385-R389 WeakPolarHBondContact O-CB 3.15Å; S385-R389 PolarHBondContact O-N 3.46Å; D386-R389 WeakPolarHBondContact O-CB 3.21Å; D386-R389 PolarHBondContact O-N 3.33Å; R389-L392 PolarHBondContact O-N 3.41Å; R389-S393 WeakPolarHBondContact O-CB 3.35Å; R389-S393 PolarHBondContact O-N 3.13Å; R389-S393 PolarHBondContact O-OG 2.85Å; R389-L441 HydrophobicContact CB-CD1 4.2Å |
| 390 | K | 88.8 | Confident | 74.9 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 179.7 | -69.4 | -62.5 | -176.4 | -178.1 | 0 | 112.4 | E352 I355 D386 C387 C388 L392 S393 S394 | E352-K390 HydrophobicContact CG-CG 3.81Å; E352-K390 WeakPolarHBondContact OE1-CE 3.41Å; E352-K390 IonicContact OE1-NZ 3.71Å; I355-K390 HydrophobicContact CG2-CB 4.38Å; D386-K390 WeakPolarHBondContact O-CG 3.47Å; D386-K390 PolarHBondContact O-N 2.83Å; C387-K390 PolarHBondContact O-N 3.32Å; C388-K390 PolarHBondContact O-N 3.43Å; K390-L392 VanDerWaalsContact C-N 3.33Å; K390-L392 PolarHBondContact O-N 3.12Å; K390-S393 PolarHBondContact O-N 3.06Å; K390-S394 PolarHBondContact O-N 2.95Å |
| 391 | L | 87.9 | Confident | 72.5 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 179 | -71.7 | 168.1 | 0 | 0 | 0 | 111.5 | L343 A347 I355 M359 T365 P375 L376 A379 C387 C388 S394 | L343-L391 HydrophobicContact CD1-CD2 4.34Å; L343-L391 HydrophobicContact CD2-CD2 4.48Å; A347-L391 HydrophobicContact CB-CD1 4.25Å; I355-L391 HydrophobicContact CG2-CD2 3.97Å; I355-L391 HydrophobicContact CG2-CG 4.12Å; M359-L391 HydrophobicContact SD-CD2 3.89Å; T365-L391 HydrophobicContact CG2-CD2 4.32Å; P375-L391 HydrophobicContact CB-CD1 4.33Å; P375-L391 HydrophobicContact CB-CD2 4.38Å; L376-L391 HydrophobicContact CB-CD1 4.38Å; L376-L391 HydrophobicContact CD1-CB 4.01Å; L376-L391 HydrophobicContact CD1-CD1 4.34Å; A379-L391 HydrophobicContact CB-CD1 3.95Å; C387-L391 WeakPolarHBondContact O-CB 3.47Å; C387-L391 VanDerWaalsContact O-CG 3.29Å; C387-L391 WeakPolarHBondContact O-CG 3.11Å; C387-L391 PolarHBondContact O-N 2.92Å; C388-L391 PolarHBondContact O-N 3.24Å; L391-S394 WeakPolarHBondContact O-CB 2.84Å; L391-S394 PolarHBondContact O-OG 3.43Å |
| 392 | L | 84.9 | Confident | 69.9 | Low | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.7 | -41.7 | 175 | -71.1 | 172.2 | 0 | 0 | 0 | 113 | L376 C388 R389 K390 S394 I416 L441 L442 | L376-L392 HydrophobicContact CD1-CG 4.26Å; L376-L392 HydrophobicContact CD2-CD2 3.73Å; L376-L392 HydrophobicContact CD2-CG 4.34Å; C388-L392 WeakPolarHBondContact O-CB 3.41Å; C388-L392 VanDerWaalsContact O-CG 3.31Å; C388-L392 WeakPolarHBondContact O-CG 3.49Å; C388-L392 PolarHBondContact O-N 2.85Å; R389-L392 PolarHBondContact O-N 3.41Å; K390-L392 VanDerWaalsContact C-N 3.33Å; K390-L392 PolarHBondContact O-N 3.12Å; L392-S394 PolarHBondContact O-N 2.86Å; L392-S394 VanDerWaalsContact O-N 3.15Å; L392-I416 HydrophobicContact CD2-CD1 3.86Å; L392-L441 HydrophobicContact CD1-CB 4.14Å; L392-L442 HydrophobicContact CD1-CD2 4.36Å; L392-L442 HydrophobicContact CD2-CD2 4.46Å |
| 393 | S | 77 | Confident | 67.5 | Low | 52 Ų | 52 | 64.6 Ų | 64.6 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.8 | -16.4 | 178.8 | -65.1 | 0 | 0 | 0 | 0 | 113.7 | R389 K390 G395 Q396 | R389-S393 WeakPolarHBondContact O-CB 3.35Å; R389-S393 PolarHBondContact O-N 3.13Å; R389-S393 PolarHBondContact O-OG 2.85Å; K390-S393 PolarHBondContact O-N 3.06Å; S393-G395 PolarHBondContact O-N 3.43Å; S393-Q396 WeakPolarHBondContact O-CB 3.45Å; S393-Q396 PolarHBondContact O-N 3.31Å |
| 394 | S | 62.7 | Low | 65.1 | Low | 17 Ų | 17 | 72.1 Ų | 72.1 | 12% | 0.119 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -72.5 | -26.2 | -172.1 | 74.5 | 0 | 0 | 0 | 0 | 116 | K390 L391 L392 Q396 | K390-S394 PolarHBondContact O-N 2.95Å; L391-S394 WeakPolarHBondContact O-CB 2.84Å; L391-S394 PolarHBondContact O-OG 3.43Å; L392-S394 PolarHBondContact O-N 2.86Å; L392-S394 VanDerWaalsContact O-N 3.15Å; S394-Q396 VanDerWaalsContact C-N 3.3Å |
| 395 | G | 52.1 | Low | 62.4 | Low | 4 Ų | 4 | 71.9 Ų | 71.9 | 4% | 0.041 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -82.9 | -6.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114 | S393 L397 S399 S411 A412 | S393-G395 PolarHBondContact O-N 3.43Å; G395-L397 VanDerWaalsContact C-N 3.31Å; G395-S399 PolarHBondContact O-N 3.46Å; G395-S411 VanDerWaalsContact C-C 3.45Å; G395-S411 CarbonylContact C-O 3.6Å; G395-S411 VanDerWaalsContact CA-C 3.49Å; G395-S411 WeakPolarHBondContact CA-O 3.25Å; G395-S411 PolarHBondContact N-O 3.47Å; G395-A412 VanDerWaalsContact CA-CA 3.47Å |
| 396 | Q | 45.7 | Very low | 59.5 | Low | 110 Ų | 110 | 79.8 Ų | 79.8 | 51% | 0.514 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.1 | -28.5 | 171.6 | -66.6 | -179.6 | -13.7 | 0 | 0 | 111.4 | S393 S394 S399 S411 | S393-Q396 WeakPolarHBondContact O-CB 3.45Å; S393-Q396 PolarHBondContact O-N 3.31Å; S394-Q396 VanDerWaalsContact C-N 3.3Å; Q396-S399 WeakPolarHBondContact O-CB 3.37Å; Q396-S399 PolarHBondContact O-N 3.1Å; Q396-S411 WeakPolarHBondContact CG-OG 3.3Å; Q396-S411 PolarHBondContact N-O 3.11Å; Q396-S411 PolarHBondContact NE2-OG 3.3Å; Q396-S411 VanDerWaalsContact NE2-OG 3.13Å |
| 397 | L | 41.9 | Very low | 56.9 | Low | 130 Ų | 130 | 83.5 Ų | 83.5 | 68% | 0.681 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -73.8 | -34.1 | -179.8 | -79.2 | 162.6 | 0 | 0 | 0 | 113.2 | G395 | G395-L397 VanDerWaalsContact C-N 3.31Å |
| 398 | Y | 41.4 | Very low | 54.3 | Low | 186 Ų | 186 | 92.9 Ų | 92.9 | 73% | 0.729 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -76.3 | -22.6 | 174.5 | -82.9 | -82.1 | 0 | 0 | 0 | 113.4 | I400 V401 | Y398-I400 VanDerWaalsContact C-N 3.31Å; Y398-I400 PolarHBondContact O-N 2.74Å; Y398-V401 PolarHBondContact O-N 3.4Å |
| 399 | S | 36.4 | Very low | 51.6 | Low | 45 Ų | 45 | 96.5 Ų | 96.5 | 32% | 0.315 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -34 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 112.9 | G395 Q396 V401 S402 | G395-S399 PolarHBondContact O-N 3.46Å; Q396-S399 WeakPolarHBondContact O-CB 3.37Å; Q396-S399 PolarHBondContact O-N 3.1Å; S399-V401 VanDerWaalsContact C-N 3.27Å; S399-V401 PolarHBondContact O-N 2.98Å; S399-S402 PolarHBondContact O-N 3.35Å |
| 400 | I | 40.8 | Very low | 49.3 | Very low | 121 Ų | 121 | 96.5 Ų | 96.5 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -68.2 | -28.8 | -177 | -54.1 | 167.6 | 0 | 0 | 0 | 111.5 | Y398 S403 | Y398-I400 VanDerWaalsContact C-N 3.31Å; Y398-I400 PolarHBondContact O-N 2.74Å; I400-S403 PolarHBondContact O-OG 3.36Å |
| 401 | V | 42.4 | Very low | 47.1 | Very low | 126 Ų | 126 | 95 Ų | 95 | 76% | 0.764 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -83.3 | -20.2 | -179.9 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | Y398 S399 | Y398-V401 PolarHBondContact O-N 3.4Å; S399-V401 VanDerWaalsContact C-N 3.27Å; S399-V401 PolarHBondContact O-N 2.98Å |
| 402 | S | 37.8 | Very low | 45.3 | Very low | 57 Ų | 57 | 95.6 Ų | 95.6 | 40% | 0.399 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -101.5 | 19.8 | -175.4 | -166.8 | 0 | 0 | 0 | 0 | 114.7 | S399 L404 | S399-S402 PolarHBondContact O-N 3.35Å; S402-L404 PolarHBondContact O-N 2.98Å |
| 403 | S | 38.9 | Very low | 44.1 | Very low | 104 Ų | 104 | 97.6 Ų | 97.6 | 73% | 0.727 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 17.8 | -177.5 | 45.3 | 0 | 0 | 0 | 0 | 115.7 | I400 | I400-S403 PolarHBondContact O-OG 3.36Š|
| 404 | L | 39.1 | Very low | 43.9 | Very low | 175 Ų | 175 | 95.8 Ų | 95.8 | 92% | 0.916 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 2.5 | -179.6 | -81.4 | 161 | 0 | 0 | 0 | 115.1 | S402 | S402-L404 PolarHBondContact O-N 2.98Š|
| 405 | S | 36.1 | Very low | 44.8 | Very low | 67 Ų | 67 | 98.3 Ų | 98.3 | 47% | 0.469 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -134.5 | 120.2 | 176.7 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | E407 | S405-E407 PolarHBondContact O-N 2.75Š|
| 406 | N | 32.3 | Very low | 46.4 | Very low | 179 Ų | 179 | 98.8 Ų | 98.8 | 96% | 0.957 | 54% | 0.543 | S | S | * | . | trans | -70.9 | 65.5 | 176.7 | -84.8 | -18.6 | 0 | 0 | 0 | 112.6 | ||||
| 407 | E | 37.3 | Very low | 48.3 | Very low | 163 Ų | 163 | 94.9 Ų | 94.9 | 76% | 0.762 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -124 | 142.9 | 159.9 | -70 | -165.5 | 165.1 | 0 | 0 | 108.6 | S405 V409 | S405-E407 PolarHBondContact O-N 2.75Å; E407-V409 VanDerWaalsContact O-CG2 3.25Å; E407-V409 WeakPolarHBondContact O-CG2 3.3Å; E407-V409 PolarHBondContact O-N 2.87Å |
| 408 | H | 36.3 | Very low | 50.6 | Low | 199 Ų | 199 | 90 Ų | 90 | 92% | 0.921 | 50% | 0.501 | S | S | * | . | trans | -56.7 | 100.2 | -176.4 | -71.3 | 85.8 | 0 | 0 | 0 | 110.7 | L410 | H408-L410 PolarHBondContact O-N 3.42Š| ||
| 409 | V | 34 | Very low | 52.9 | Low | 76 Ų | 76 | 83.1 Ų | 83.1 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | trans | -73.9 | 114.7 | -173.8 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | E407 | E407-V409 VanDerWaalsContact O-CG2 3.25Å; E407-V409 WeakPolarHBondContact O-CG2 3.3Å; E407-V409 PolarHBondContact O-N 2.87Å | ||
| 410 | L | 41.4 | Very low | 55.5 | Low | 117 Ų | 117 | 81.4 Ų | 81.4 | 61% | 0.613 | 47% | 0.467 | S | S | * | . | trans | -65.5 | 128.9 | 172 | -70.4 | 164.8 | 0 | 0 | 0 | 110.2 | H408 A412 | H408-L410 PolarHBondContact O-N 3.42Å; L410-A412 PolarHBondContact O-N 3.05Å | ||
| 411 | S | 42.3 | Very low | 57.9 | Low | 51 Ų | 51 | 78.9 Ų | 78.9 | 36% | 0.357 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -75.7 | 1.5 | -173.8 | 172.3 | 0 | 0 | 0 | 0 | 114.7 | G395 Q396 | G395-S411 VanDerWaalsContact C-C 3.45Å; G395-S411 CarbonylContact C-O 3.6Å; G395-S411 VanDerWaalsContact CA-C 3.49Å; G395-S411 WeakPolarHBondContact CA-O 3.25Å; G395-S411 PolarHBondContact N-O 3.47Å; Q396-S411 WeakPolarHBondContact CG-OG 3.3Å; Q396-S411 PolarHBondContact N-O 3.11Å; Q396-S411 PolarHBondContact NE2-OG 3.3Å; Q396-S411 VanDerWaalsContact NE2-OG 3.13Å |
| 412 | A | 49.6 | Very low | 60.2 | Low | 14 Ų | 14 | 76 Ų | 76 | 12% | 0.116 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -132.4 | 142.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 106 | G395 L410 F414 | G395-A412 VanDerWaalsContact CA-CA 3.47Å; L410-A412 PolarHBondContact O-N 3.05Å; A412-F414 HydrophobicContact CB-CD1 4.43Å; A412-F414 HydrophobicContact CB-CE1 4.16Å; A412-F414 HydrophobicContact CB-CE2 4.28Å; A412-F414 HydrophobicContact CB-CZ 4.08Å; A412-F414 PolarHBondContact O-N 2.89Å |
| 413 | G | 59.8 | Low | 62.7 | Low | 56 Ų | 56 | 73.9 Ų | 73.9 | 58% | 0.577 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -62.8 | 13.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 414 | F | 72.9 | Confident | 65.2 | Low | 14 Ų | 14 | 71.5 Ų | 71.5 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -151.8 | 154.9 | -180 | 54.9 | -90.6 | 0 | 0 | 0 | 109.9 | A366 F374 L376 A412 I416 | A366-F414 HydrophobicContact CB-CB 3.84Å; A366-F414 HydrophobicContact CB-CD1 4.41Å; F374-F414 AromaticContact CD2-CD2 3.91Å; F374-F414 HydrophobicContact CD2-CD2 3.91Å; F374-F414 HydrophobicContact CD2-CE2 4.41Å; F374-F414 HydrophobicContact CD2-CG 4.27Å; F374-F414 HydrophobicContact CE2-CB 4Å; F374-F414 AromaticContact CE2-CD2 3.96Å; F374-F414 HydrophobicContact CE2-CD2 3.96Å; F374-F414 HydrophobicContact CE2-CG 4.18Å; F374-F414 HydrophobicContact CZ-CB 4.39Å; L376-F414 HydrophobicContact CB-CE2 4.39Å; L376-F414 HydrophobicContact CB-CZ 4.1Å; L376-F414 HydrophobicContact CD2-CE2 3.63Å; L376-F414 HydrophobicContact CD2-CZ 3.75Å; A412-F414 HydrophobicContact CB-CD1 4.43Å; A412-F414 HydrophobicContact CB-CE1 4.16Å; A412-F414 HydrophobicContact CB-CE2 4.28Å; A412-F414 HydrophobicContact CB-CZ 4.08Å; A412-F414 PolarHBondContact O-N 2.89Å; F414-I416 PolarHBondContact O-N 3Å |
| 415 | D | 82.3 | Confident | 67.8 | Low | 70 Ų | 70 | 63.2 Ų | 63.2 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | trans | -74.1 | 121.3 | 170.2 | 175.2 | 11.9 | 0 | 0 | 0 | 110.1 | N417 T418 | D415-N417 PolarHBondContact O-N 3.25Å; D415-N417 VanDerWaalsContact O-N 3.15Å; D415-N417 WeakPolarHBondContact OD1-CB 3.32Å; D415-N417 PolarHBondContact OD1-N 2.97Å; D415-T418 VanDerWaalsContact O-CB 3.27Å; D415-T418 WeakPolarHBondContact O-CB 3.28Å; D415-T418 PolarHBondContact O-N 3.3Å; D415-T418 PolarHBondContact O-OG1 3.43Å | ||
| 416 | I | 84.8 | Confident | 70.5 | Confident | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24 | 179.1 | -161 | 168.6 | 0 | 0 | 0 | 113 | L392 F414 T418 L442 A447 | L392-I416 HydrophobicContact CD2-CD1 3.86Å; F414-I416 PolarHBondContact O-N 3Å; I416-T418 VanDerWaalsContact C-N 3.35Å; I416-L442 HydrophobicContact CD1-CB 4.45Å; I416-L442 HydrophobicContact CD1-CD2 3.68Å; I416-L442 HydrophobicContact CG1-CD2 4.03Å; I416-A447 HydrophobicContact CD1-CB 4.27Å |
| 417 | N | 87.5 | Confident | 73.4 | Confident | 29 Ų | 29 | 51.5 Ų | 51.5 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3.5 | -179.8 | -63.4 | -55.8 | 0 | 0 | 0 | 113.4 | D415 P419 G446 D448 | D415-N417 PolarHBondContact O-N 3.25Å; D415-N417 VanDerWaalsContact O-N 3.15Å; D415-N417 WeakPolarHBondContact OD1-CB 3.32Å; D415-N417 PolarHBondContact OD1-N 2.97Å; N417-P419 WeakPolarHBondContact O-CD 3.22Å; N417-G446 PolarHBondContact ND2-O 3.01Å; N417-D448 PolarHBondContact OD1-N 3.18Å |
| 418 | T | 88.2 | Confident | 76.1 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 16% | 0.16 | 25% | 0.25 | C | S | . | . | trans | -61.2 | 121.2 | 173.5 | -53.8 | 0 | 0 | 0 | 0 | 109 | F374 H377 D415 I416 | F374-T418 HydrophobicContact CE2-CG2 3.94Å; F374-T418 HydrophobicContact CZ-CG2 3.67Å; H377-T418 PolarHBondContact CE1-O 3.06Å; H377-T418 PolarHBondContact NE2-O 3.07Å; D415-T418 VanDerWaalsContact O-CB 3.27Å; D415-T418 WeakPolarHBondContact O-CB 3.28Å; D415-T418 PolarHBondContact O-N 3.3Å; D415-T418 PolarHBondContact O-OG1 3.43Å; I416-T418 VanDerWaalsContact C-N 3.35Å | ||
| 419 | P | 90.9 | Very high | 78.7 | Confident | 42 Ų | 42 | 34.7 Ų | 34.7 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | trans | -81.2 | 154.4 | 179.3 | 31.8 | -33.1 | 0 | 0 | 0 | 112 | N417 G423 R424 | N417-P419 WeakPolarHBondContact O-CD 3.22Å; P419-G423 VanDerWaalsContact CB-C 3.47Å; P419-R424 CarbonylContact C-O 3.59Å; P419-R424 VanDerWaalsContact CA-O 3.32Å; P419-R424 WeakPolarHBondContact CA-O 3.47Å | ||
| 420 | D | 90.8 | Very high | 81.5 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | trans | -73.4 | -176.3 | 165.8 | 78.9 | -5.1 | 0 | 0 | 0 | 112.1 | H371 M373 L422 G423 R424 | H371-D420 WeakPolarHBondContact O-CB 3.39Å; M373-D420 HydrophobicContact CG-CB 3.94Å; D420-L422 PolarHBondContact O-N 3.04Å; D420-L422 VanDerWaalsContact OD1-CA 3.3Å; D420-L422 WeakPolarHBondContact OD1-CA 3.19Å; D420-L422 WeakPolarHBondContact OD1-CB 3.36Å; D420-L422 PolarHBondContact OD1-N 3.48Å; D420-G423 PolarHBondContact O-N 3.45Å; D420-G423 PolarHBondContact OD1-N 3.02Å; D420-G423 VanDerWaalsContact OD1-N 3.1Å; D420-R424 PolarHBondContact N-O 2.8Å; D420-R424 WeakPolarHBondContact OD1-CB 3.45Å; D420-R424 PolarHBondContact OD1-N 3.1Å; D420-R424 IonicContact OD1-NE 2.8Å; D420-R424 IonicContact OD2-CZ 2.83Å; D420-R424 IonicContact OD2-NE 3.21Å; D420-R424 PolarHBondContact OD2-NE 3.01Å; D420-R424 IonicContact OD2-NH2 3.5Å; D420-R424 PolarHBondContact OD2-NH2 3.49Å | ||
| 421 | N | 91.6 | Very high | 83.9 | Confident | 69 Ų | 69 | 25.5 Ų | 25.5 | 37% | 0.369 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16 | 178.3 | -82 | -24.1 | 0 | 0 | 0 | 114.8 | H371 D372 K454 | H371-N421 VanDerWaalsContact C-ND2 3.25Å; H371-N421 HydrophobicContact CB-CB 4.49Å; H371-N421 VanDerWaalsContact O-CB 3.31Å; H371-N421 WeakPolarHBondContact O-CB 3.16Å; H371-N421 PolarHBondContact O-N 3.45Å; D372-N421 HydrophobicContact CB-CB 4.43Å; D372-N421 WeakPolarHBondContact CB-OD1 3.48Å; D372-N421 VanDerWaalsContact CG-CG 3.43Å; D372-N421 VanDerWaalsContact CG-ND2 3.32Å; D372-N421 PolarHBondContact N-ND2 3.44Å; D372-N421 PolarHBondContact OD1-ND2 3.36Å; D372-N421 PolarHBondContact OD1-OD1 3.46Å; D372-N421 PolarHBondContact OD2-OD1 3.32Å; N421-K454 WeakPolarHBondContact O-CE 3.44Å; N421-K454 PolarHBondContact O-NZ 2.97Å |
| 422 | L | 89.9 | Confident | 86.2 | Confident | 64 Ų | 64 | 24.5 Ų | 24.5 | 34% | 0.335 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 3.9 | 175.7 | -66.4 | 177.2 | 0 | 0 | 0 | 112.8 | D420 R424 K454 | D420-L422 PolarHBondContact O-N 3.04Å; D420-L422 VanDerWaalsContact OD1-CA 3.3Å; D420-L422 WeakPolarHBondContact OD1-CA 3.19Å; D420-L422 WeakPolarHBondContact OD1-CB 3.36Å; D420-L422 PolarHBondContact OD1-N 3.48Å; L422-R424 VanDerWaalsContact C-N 3.31Å; L422-R424 HydrophobicContact CB-CG 4.09Å; L422-K454 WeakPolarHBondContact O-CB 3.2Å; L422-K454 WeakPolarHBondContact O-CG 3.36Å; L422-K454 PolarHBondContact O-N 3.19Å |
| 423 | G | 90.3 | Very high | 87.9 | Confident | 14 Ų | 14 | 24.5 Ų | 24.5 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 83.5 | 5.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P419 D420 D453 | P419-G423 VanDerWaalsContact CB-C 3.47Å; D420-G423 PolarHBondContact O-N 3.45Å; D420-G423 PolarHBondContact OD1-N 3.02Å; D420-G423 VanDerWaalsContact OD1-N 3.1Å; G423-D453 WeakPolarHBondContact O-CA 3.39Å |
| 424 | R | 92.4 | Very high | 89.2 | Confident | 54 Ų | 54 | 22.9 Ų | 22.9 | 20% | 0.204 | 14% | 0.136 | C | C | . | . | trans | -86.4 | 131.1 | -174.6 | -57.5 | 176.6 | -60.6 | -178.2 | 1.8 | 109.9 | P419 D420 L422 H428 D453 Y462 | P419-R424 CarbonylContact C-O 3.59Å; P419-R424 VanDerWaalsContact CA-O 3.32Å; P419-R424 WeakPolarHBondContact CA-O 3.47Å; D420-R424 PolarHBondContact N-O 2.8Å; D420-R424 WeakPolarHBondContact OD1-CB 3.45Å; D420-R424 PolarHBondContact OD1-N 3.1Å; D420-R424 IonicContact OD1-NE 2.8Å; D420-R424 IonicContact OD2-CZ 2.83Å; D420-R424 IonicContact OD2-NE 3.21Å; D420-R424 PolarHBondContact OD2-NE 3.01Å; D420-R424 IonicContact OD2-NH2 3.5Å; D420-R424 PolarHBondContact OD2-NH2 3.49Å; L422-R424 VanDerWaalsContact C-N 3.31Å; L422-R424 HydrophobicContact CB-CG 4.09Å; R424-H428 HydrophobicContact CB-CB 3.89Å; R424-H428 HydrophobicContact CG-CB 4.43Å; R424-D453 HydrophobicContact CG-CB 3.91Å; R424-Y462 WeakPolarHBondContact CD-OH 3.46Å | ||
| 425 | T | 93.6 | Very high | 90 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | trans | -85.4 | 171 | 173 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | L427 H428 A429 R451 | T425-L427 PolarHBondContact O-N 2.66Å; T425-L427 VanDerWaalsContact O-N 3.13Å; T425-L427 PolarHBondContact OG1-N 2.81Å; T425-H428 PolarHBondContact N-ND1 3.22Å; T425-H428 VanDerWaalsContact N-ND1 3.17Å; T425-H428 WeakPolarHBondContact O-CB 3.2Å; T425-H428 PolarHBondContact O-N 2.74Å; T425-H428 PolarHBondContact OG1-ND1 2.94Å; T425-A429 PolarHBondContact O-N 3.42Å; T425-A429 VanDerWaalsContact O-N 3.15Å; T425-R451 HydrophobicContact CG2-CB 3.98Å; T425-R451 HydrophobicContact CG2-CG 4.21Å | ||
| 426 | C | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -53.5 | -32.1 | 171.2 | -72.8 | 0 | 0 | 0 | 0 | 112.3 | L376 H377 V380 A429 A430 L442 | L376-C426 HydrophobicContact CD2-CB 4.44Å; H377-C426 PolarHBondContact CD2-N 3.49Å; H377-C426 PolarHBondContact CD2-SG 3.5Å; H377-C426 PolarHBondContact CE1-SG 2.92Å; H377-C426 VanDerWaalsContact CG-SG 3.51Å; H377-C426 PolarHBondContact NE2-N 2.99Å; H377-C426 PolarHBondContact NE2-SG 3.46Å; H377-C426 VanDerWaalsContact NE2-SG 3.38Å; V380-C426 HydrophobicContact CG2-CB 4.46Å; V380-C426 WeakPolarHBondContact CG2-O 3.37Å; C426-A429 PolarHBondContact O-N 3.48Å; C426-A430 WeakPolarHBondContact O-CB 3.43Å; C426-A430 PolarHBondContact O-N 3.03Å; C426-L442 HydrophobicContact CB-CD1 4.07Å; C426-L442 HydrophobicContact CB-CD2 3.94Å; C426-L442 WeakPolarHBondContact O-CD1 3.19Å |
| 427 | L | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.3 | -38 | 177.6 | -164.6 | 68 | 0 | 0 | 0 | 112.6 | T425 A429 A430 A431 L439 L442 L443 A447 L449 P459 L475 | T425-L427 PolarHBondContact O-N 2.66Å; T425-L427 VanDerWaalsContact O-N 3.13Å; T425-L427 PolarHBondContact OG1-N 2.81Å; L427-A429 VanDerWaalsContact C-N 3.34Å; L427-A430 PolarHBondContact O-N 3.41Å; L427-A431 VanDerWaalsContact O-CB 3.32Å; L427-A431 WeakPolarHBondContact O-CB 3.34Å; L427-A431 PolarHBondContact O-N 3.13Å; L427-L439 HydrophobicContact CD1-CD1 3.45Å; L427-L439 VanDerWaalsContact CD1-CD1 3.45Å; L427-L439 HydrophobicContact CD1-CG 4.18Å; L427-L439 HydrophobicContact CG-CD1 4.21Å; L427-L442 HydrophobicContact CD1-CB 4.11Å; L427-L442 HydrophobicContact CD1-CD1 4.38Å; L427-L443 HydrophobicContact CD1-CD2 3.98Å; L427-L443 HydrophobicContact CD1-CG 4.02Å; L427-L443 HydrophobicContact CD2-CD2 4.04Å; L427-A447 HydrophobicContact CB-CB 4.3Å; L427-A447 HydrophobicContact CD1-CB 4.25Å; L427-A447 HydrophobicContact CD2-CB 4.3Å; L427-L449 HydrophobicContact CD2-CB 4.06Å; L427-P459 HydrophobicContact CB-CG 4.28Å; L427-P459 HydrophobicContact CD2-CB 4.34Å; L427-P459 HydrophobicContact CD2-CG 3.85Å; L427-P459 HydrophobicContact CG-CB 4.13Å; L427-P459 HydrophobicContact CG-CG 3.97Å; L427-L475 HydrophobicContact CD2-CD2 4.48Å |
| 428 | H | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 172.2 | -67.2 | 82 | 0 | 0 | 0 | 111.1 | R424 T425 A431 S432 R451 R457 Y462 | R424-H428 HydrophobicContact CB-CB 3.89Å; R424-H428 HydrophobicContact CG-CB 4.43Å; T425-H428 PolarHBondContact N-ND1 3.22Å; T425-H428 VanDerWaalsContact N-ND1 3.17Å; T425-H428 WeakPolarHBondContact O-CB 3.2Å; T425-H428 PolarHBondContact O-N 2.74Å; T425-H428 PolarHBondContact OG1-ND1 2.94Å; H428-A431 PolarHBondContact O-N 3.17Å; H428-S432 WeakPolarHBondContact O-CB 3.3Å; H428-S432 PolarHBondContact O-N 3.22Å; H428-R451 PolarHBondContact CE1-O 3.17Å; H428-R451 VanDerWaalsContact CE1-O 3.22Å; H428-R451 PolarHBondContact NE2-O 2.75Å; H428-R457 PolarHBondContact NE2-O 3.22Å; H428-R457 VanDerWaalsContact NE2-O 3.15Å; H428-Y462 HydrophobicContact CB-CD2 4.43Å; H428-Y462 HydrophobicContact CB-CE2 4.49Å; H428-Y462 AromaticContact CD2-CD2 3.76Å; H428-Y462 AromaticContact CD2-CE2 3.64Å |
| 429 | A | 92.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 24 Ų | 24 | 7% | 0.066 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V380 L381 T425 C426 L427 S432 G433 | V380-A429 HydrophobicContact CG2-CB 3.8Å; L381-A429 HydrophobicContact CB-CB 4.21Å; T425-A429 PolarHBondContact O-N 3.42Å; T425-A429 VanDerWaalsContact O-N 3.15Å; C426-A429 PolarHBondContact O-N 3.48Å; L427-A429 VanDerWaalsContact C-N 3.34Å; A429-S432 PolarHBondContact O-N 2.96Å; A429-G433 PolarHBondContact O-N 3.03Å |
| 430 | A | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V380 C426 L427 S432 G433 G434 C438 L439 L442 | V380-A430 HydrophobicContact CB-CB 4.04Å; V380-A430 HydrophobicContact CG2-CB 4.24Å; C426-A430 WeakPolarHBondContact O-CB 3.43Å; C426-A430 PolarHBondContact O-N 3.03Å; L427-A430 PolarHBondContact O-N 3.41Å; A430-S432 VanDerWaalsContact C-N 3.29Å; A430-S432 PolarHBondContact O-N 3.02Å; A430-G433 PolarHBondContact O-N 3.18Å; A430-G433 VanDerWaalsContact O-N 3.07Å; A430-G434 PolarHBondContact O-N 3.22Å; A430-C438 HydrophobicContact CB-CB 4.39Å; A430-L439 HydrophobicContact CB-CD1 3.99Å; A430-L442 HydrophobicContact CB-CD1 3.55Å |
| 431 | A | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L427 H428 L439 P459 A463 L475 | L427-A431 VanDerWaalsContact O-CB 3.32Å; L427-A431 WeakPolarHBondContact O-CB 3.34Å; L427-A431 PolarHBondContact O-N 3.13Å; H428-A431 PolarHBondContact O-N 3.17Å; A431-L439 HydrophobicContact CB-CD1 4.38Å; A431-P459 HydrophobicContact CB-CB 4.07Å; A431-P459 VanDerWaalsContact CB-O 3.23Å; A431-P459 WeakPolarHBondContact CB-O 3.36Å; A431-A463 HydrophobicContact CB-CB 4.19Å; A431-L475 HydrophobicContact CB-CD1 4.14Å |
| 432 | S | 90.6 | Very high | 91.1 | Very high | 29 Ų | 29 | 23.2 Ų | 23.2 | 20% | 0.203 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.9 | -30.9 | 172.7 | -171.5 | 0 | 0 | 0 | 0 | 113.1 | H428 A429 A430 | H428-S432 WeakPolarHBondContact O-CB 3.3Å; H428-S432 PolarHBondContact O-N 3.22Å; A429-S432 PolarHBondContact O-N 2.96Å; A430-S432 VanDerWaalsContact C-N 3.29Å; A430-S432 PolarHBondContact O-N 3.02Å |
| 433 | G | 85.1 | Confident | 91.1 | Very high | 14 Ų | 14 | 21.9 Ų | 21.9 | 14% | 0.144 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -77.8 | -19.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L381 A429 A430 N435 | L381-G433 WeakPolarHBondContact O-CA 3.41Å; A429-G433 PolarHBondContact O-N 3.03Å; A430-G433 PolarHBondContact O-N 3.18Å; A430-G433 VanDerWaalsContact O-N 3.07Å; G433-N435 VanDerWaalsContact C-N 3.3Å; G433-N435 PolarHBondContact O-N 2.74Å |
| 434 | G | 87.2 | Confident | 91 | Very high | 22 Ų | 22 | 25.9 Ų | 25.9 | 23% | 0.227 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 8.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | A430 | A430-G434 PolarHBondContact O-N 3.22Š|
| 435 | N | 88.3 | Confident | 90.7 | Very high | 35 Ų | 35 | 26.2 Ų | 26.2 | 19% | 0.187 | 16% | 0.161 | C | C | . | . | trans | -92.6 | 112.3 | 178 | -173 | -41.9 | 0 | 0 | 0 | 111.3 | G383 G433 E437 C438 L439 | G383-N435 PolarHBondContact O-ND2 3.34Å; G433-N435 VanDerWaalsContact C-N 3.3Å; G433-N435 PolarHBondContact O-N 2.74Å; N435-E437 WeakPolarHBondContact OD1-CA 3.27Å; N435-E437 WeakPolarHBondContact OD1-CB 3.33Å; N435-E437 PolarHBondContact OD1-N 2.94Å; N435-C438 HydrophobicContact CB-CB 4.13Å; N435-C438 PolarHBondContact O-N 3.37Å; N435-C438 PolarHBondContact OD1-N 3.42Å; N435-L439 PolarHBondContact O-N 3.08Å; N435-L439 VanDerWaalsContact O-N 3.11Å | ||
| 436 | V | 91.5 | Very high | 90.2 | Very high | 31 Ų | 31 | 28.5 Ų | 28.5 | 19% | 0.188 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.5 | -35.5 | -177.7 | -180 | 0 | 0 | 0 | 0 | 112.3 | L439 N440 Q470 | V436-L439 WeakPolarHBondContact O-CB 3.31Å; V436-L439 PolarHBondContact O-N 2.89Å; V436-N440 WeakPolarHBondContact O-CB 3.44Å; V436-N440 PolarHBondContact O-N 2.87Å; V436-N440 PolarHBondContact O-ND2 3.1Å; V436-Q470 HydrophobicContact CB-CG 4.22Å; V436-Q470 HydrophobicContact CG1-CG 3.95Å; V436-Q470 HydrophobicContact CG2-CB 3.5Å; V436-Q470 HydrophobicContact CG2-CG 3.36Å |
| 437 | E | 92 | Very high | 90.1 | Very high | 112 Ų | 112 | 29 Ų | 29 | 52% | 0.523 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 177 | -59.8 | -174.9 | 164.7 | 0 | 0 | 110.7 | S385 N435 L439 N440 L441 | S385-E437 VanDerWaalsContact CB-OE2 3.27Å; S385-E437 WeakPolarHBondContact CB-OE2 3.31Å; S385-E437 PolarHBondContact OG-OE2 3.17Å; N435-E437 WeakPolarHBondContact OD1-CA 3.27Å; N435-E437 WeakPolarHBondContact OD1-CB 3.33Å; N435-E437 PolarHBondContact OD1-N 2.94Å; E437-L439 VanDerWaalsContact C-N 3.27Å; E437-L439 PolarHBondContact O-N 3.27Å; E437-N440 PolarHBondContact O-N 3.2Å; E437-L441 WeakPolarHBondContact O-CB 3.37Å; E437-L441 VanDerWaalsContact O-CG 3.25Å; E437-L441 WeakPolarHBondContact O-CG 3.42Å; E437-L441 PolarHBondContact O-N 2.82Å |
| 438 | C | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.7 | -45 | 172.8 | -72.8 | 0 | 0 | 0 | 0 | 110.8 | V380 S385 A430 N435 L441 L442 | V380-C438 HydrophobicContact CB-CB 4.29Å; V380-C438 HydrophobicContact CG1-CB 4.23Å; S385-C438 VanDerWaalsContact CA-SG 3.52Å; A430-C438 HydrophobicContact CB-CB 4.39Å; N435-C438 HydrophobicContact CB-CB 4.13Å; N435-C438 PolarHBondContact O-N 3.37Å; N435-C438 PolarHBondContact OD1-N 3.42Å; C438-L441 PolarHBondContact O-N 3.12Å; C438-L442 VanDerWaalsContact O-CG 3.25Å; C438-L442 WeakPolarHBondContact O-CG 3.29Å; C438-L442 PolarHBondContact O-N 3.48Å |
| 439 | L | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 179.2 | -164.2 | 79.2 | 0 | 0 | 0 | 111.9 | L427 A430 A431 N435 V436 E437 L441 L442 L443 C471 T474 L475 | L427-L439 HydrophobicContact CD1-CD1 3.45Å; L427-L439 VanDerWaalsContact CD1-CD1 3.45Å; L427-L439 HydrophobicContact CD1-CG 4.18Å; L427-L439 HydrophobicContact CG-CD1 4.21Å; A430-L439 HydrophobicContact CB-CD1 3.99Å; A431-L439 HydrophobicContact CB-CD1 4.38Å; N435-L439 PolarHBondContact O-N 3.08Å; N435-L439 VanDerWaalsContact O-N 3.11Å; V436-L439 WeakPolarHBondContact O-CB 3.31Å; V436-L439 PolarHBondContact O-N 2.89Å; E437-L439 VanDerWaalsContact C-N 3.27Å; E437-L439 PolarHBondContact O-N 3.27Å; L439-L441 PolarHBondContact O-N 2.93Å; L439-L442 PolarHBondContact O-N 3.16Å; L439-L443 HydrophobicContact CG-CD1 4.28Å; L439-L443 WeakPolarHBondContact O-CG 3.32Å; L439-L443 PolarHBondContact O-N 3Å; L439-C471 HydrophobicContact CD2-CB 4.3Å; L439-T474 HydrophobicContact CD2-CG2 3.68Å; L439-T474 HydrophobicContact CG-CG2 4.45Å; L439-L475 HydrophobicContact CD1-CD2 4.12Å; L439-L475 HydrophobicContact CD2-CD2 4.05Å; L439-L475 HydrophobicContact CD2-CG 3.86Å; L439-L475 HydrophobicContact CG-CD2 4.41Å |
| 440 | N | 92.5 | Very high | 89.4 | Confident | 77 Ų | 77 | 39.5 Ų | 39.5 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 176.8 | -79 | -33.3 | 0 | 0 | 0 | 112.5 | V436 E437 L443 S444 T474 | V436-N440 WeakPolarHBondContact O-CB 3.44Å; V436-N440 PolarHBondContact O-N 2.87Å; V436-N440 PolarHBondContact O-ND2 3.1Å; E437-N440 PolarHBondContact O-N 3.2Å; N440-L443 PolarHBondContact O-N 3.16Å; N440-S444 WeakPolarHBondContact O-CB 3.43Å; N440-S444 PolarHBondContact O-N 3.1Å; N440-S444 PolarHBondContact O-OG 3.02Å; N440-T474 WeakPolarHBondContact OD1-CG2 3.25Å |
| 441 | L | 90.4 | Very high | 89.3 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 174.7 | -71.7 | 173.7 | 0 | 0 | 0 | 111.7 | R389 L392 E437 C438 L439 S444 S445 | R389-L441 HydrophobicContact CB-CD1 4.2Å; L392-L441 HydrophobicContact CD1-CB 4.14Å; E437-L441 WeakPolarHBondContact O-CB 3.37Å; E437-L441 VanDerWaalsContact O-CG 3.25Å; E437-L441 WeakPolarHBondContact O-CG 3.42Å; E437-L441 PolarHBondContact O-N 2.82Å; C438-L441 PolarHBondContact O-N 3.12Å; L439-L441 PolarHBondContact O-N 2.93Å; L441-S444 WeakPolarHBondContact CA-OG 3.45Å; L441-S444 PolarHBondContact O-OG 3.12Å; L441-S445 VanDerWaalsContact O-CB 3.27Å; L441-S445 WeakPolarHBondContact O-CB 3.43Å; L441-S445 PolarHBondContact O-N 3.15Å; L441-S445 VanDerWaalsContact O-N 3.1Å; L441-S445 PolarHBondContact O-OG 2.83Å |
| 442 | L | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.4 | -43.8 | 177.5 | -67.2 | 172.2 | 0 | 0 | 0 | 111.8 | L376 V380 L392 I416 C426 L427 A430 C438 L439 S445 G446 A447 | L376-L442 HydrophobicContact CD2-CD2 4.09Å; V380-L442 HydrophobicContact CB-CD1 4.44Å; V380-L442 HydrophobicContact CG1-CD1 4.15Å; V380-L442 HydrophobicContact CG1-CD2 4.45Å; V380-L442 HydrophobicContact CG2-CD1 4.47Å; L392-L442 HydrophobicContact CD1-CD2 4.36Å; L392-L442 HydrophobicContact CD2-CD2 4.46Å; I416-L442 HydrophobicContact CD1-CB 4.45Å; I416-L442 HydrophobicContact CD1-CD2 3.68Å; I416-L442 HydrophobicContact CG1-CD2 4.03Å; C426-L442 HydrophobicContact CB-CD1 4.07Å; C426-L442 HydrophobicContact CB-CD2 3.94Å; C426-L442 WeakPolarHBondContact O-CD1 3.19Å; L427-L442 HydrophobicContact CD1-CB 4.11Å; L427-L442 HydrophobicContact CD1-CD1 4.38Å; A430-L442 HydrophobicContact CB-CD1 3.55Å; C438-L442 VanDerWaalsContact O-CG 3.25Å; C438-L442 WeakPolarHBondContact O-CG 3.29Å; C438-L442 PolarHBondContact O-N 3.48Å; L439-L442 PolarHBondContact O-N 3.16Å; L442-S445 CarbonylContact O-C 3.58Å; L442-S445 PolarHBondContact O-N 3.37Å; L442-S445 VanDerWaalsContact O-N 3.16Å; L442-G446 PolarHBondContact O-N 3.26Å; L442-A447 HydrophobicContact CB-CB 4.04Å; L442-A447 WeakPolarHBondContact O-CB 3.42Å; L442-A447 PolarHBondContact O-N 3.43Å |
| 443 | L | 89.5 | Confident | 89.4 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 178.1 | -71.7 | 171 | 0 | 0 | 0 | 111.5 | L427 L439 N440 S445 G446 L449 T474 A478 | L427-L443 HydrophobicContact CD1-CD2 3.98Å; L427-L443 HydrophobicContact CD1-CG 4.02Å; L427-L443 HydrophobicContact CD2-CD2 4.04Å; L439-L443 HydrophobicContact CG-CD1 4.28Å; L439-L443 WeakPolarHBondContact O-CG 3.32Å; L439-L443 PolarHBondContact O-N 3Å; N440-L443 PolarHBondContact O-N 3.16Å; L443-S445 PolarHBondContact O-N 2.94Å; L443-G446 PolarHBondContact O-N 2.57Å; L443-G446 VanDerWaalsContact O-N 3.09Å; L443-L449 HydrophobicContact CD2-CD2 4.45Å; L443-T474 HydrophobicContact CD1-CG2 3.93Å; L443-A478 HydrophobicContact CD1-CB 4.1Å; L443-A478 HydrophobicContact CD2-CB 4.49Å |
| 444 | S | 88.1 | Confident | 89.8 | Confident | 97 Ų | 97 | 55.2 Ų | 55.2 | 68% | 0.678 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.6 | -23.8 | 174.5 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | N440 L441 G446 | N440-S444 WeakPolarHBondContact O-CB 3.43Å; N440-S444 PolarHBondContact O-N 3.1Å; N440-S444 PolarHBondContact O-OG 3.02Å; L441-S444 WeakPolarHBondContact CA-OG 3.45Å; L441-S444 PolarHBondContact O-OG 3.12Å; S444-G446 VanDerWaalsContact C-N 3.35Å |
| 445 | S | 84.6 | Confident | 90.1 | Very high | 61 Ų | 61 | 58.4 Ų | 58.4 | 43% | 0.427 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 7.1 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | L441 L442 L443 | L441-S445 VanDerWaalsContact O-CB 3.27Å; L441-S445 WeakPolarHBondContact O-CB 3.43Å; L441-S445 PolarHBondContact O-N 3.15Å; L441-S445 VanDerWaalsContact O-N 3.1Å; L441-S445 PolarHBondContact O-OG 2.83Å; L442-S445 CarbonylContact O-C 3.58Å; L442-S445 PolarHBondContact O-N 3.37Å; L442-S445 VanDerWaalsContact O-N 3.16Å; L443-S445 PolarHBondContact O-N 2.94Å |
| 446 | G | 84.8 | Confident | 90.3 | Very high | 50 Ų | 50 | 57.5 Ų | 57.5 | 52% | 0.515 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 25.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N417 L442 L443 S444 | N417-G446 PolarHBondContact ND2-O 3.01Å; L442-G446 PolarHBondContact O-N 3.26Å; L443-G446 PolarHBondContact O-N 2.57Å; L443-G446 VanDerWaalsContact O-N 3.09Å; S444-G446 VanDerWaalsContact C-N 3.35Å |
| 447 | A | 88.7 | Confident | 90.4 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | trans | -67.7 | 132.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I416 L427 L442 | I416-A447 HydrophobicContact CD1-CB 4.27Å; L427-A447 HydrophobicContact CB-CB 4.3Å; L427-A447 HydrophobicContact CD1-CB 4.25Å; L427-A447 HydrophobicContact CD2-CB 4.3Å; L442-A447 HydrophobicContact CB-CB 4.04Å; L442-A447 WeakPolarHBondContact O-CB 3.42Å; L442-A447 PolarHBondContact O-N 3.43Å | ||
| 448 | D | 87.9 | Confident | 90.5 | Very high | 63 Ų | 63 | 53.2 Ų | 53.2 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | trans | -84.2 | 119.3 | -179.8 | -178.9 | 8.1 | 0 | 0 | 0 | 111.6 | N417 R450 R451 | N417-D448 PolarHBondContact OD1-N 3.18Å; D448-R450 PolarHBondContact OD1-N 3.15Å; D448-R451 HydrophobicContact CB-CG 3.77Å; D448-R451 WeakPolarHBondContact OD2-CD 3.31Å; D448-R451 WeakPolarHBondContact OD2-CG 3.28Å | ||
| 449 | L | 89.6 | Confident | 90.7 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -12.6 | 179.8 | 57.3 | 100 | 0 | 0 | 0 | 114.5 | L427 L443 A478 | L427-L449 HydrophobicContact CD2-CB 4.06Å; L443-L449 HydrophobicContact CD2-CD2 4.45Å; L449-A478 HydrophobicContact CD2-CB 4.2Å; L449-A478 WeakPolarHBondContact CD2-O 3.45Å |
| 450 | R | 87.3 | Confident | 90.8 | Very high | 135 Ų | 135 | 53.3 Ų | 53.3 | 51% | 0.509 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -5 | 179.2 | -58.7 | -57.7 | 175.9 | 108.4 | 3.7 | 113.7 | D448 G479 E484 | D448-R450 PolarHBondContact OD1-N 3.15Å; R450-G479 PolarHBondContact NH2-O 3.37Å; R450-E484 IonicContact NH1-OE1 3.76Å |
| 451 | R | 90 | Very high | 90.9 | Very high | 106 Ų | 106 | 49.8 Ų | 49.8 | 40% | 0.4 | 25% | 0.254 | S | S | . | . | trans | -62.2 | 138.3 | 173.4 | -63.1 | -69.1 | -76 | 164.7 | -5.2 | 109.6 | T425 H428 D448 | T425-R451 HydrophobicContact CG2-CB 3.98Å; T425-R451 HydrophobicContact CG2-CG 4.21Å; H428-R451 PolarHBondContact CE1-O 3.17Å; H428-R451 VanDerWaalsContact CE1-O 3.22Å; H428-R451 PolarHBondContact NE2-O 2.75Å; D448-R451 HydrophobicContact CB-CG 3.77Å; D448-R451 WeakPolarHBondContact OD2-CD 3.31Å; D448-R451 WeakPolarHBondContact OD2-CG 3.28Å | ||
| 452 | R | 92.4 | Very high | 91 | Very high | 108 Ų | 108 | 49.7 Ų | 49.7 | 41% | 0.408 | 25% | 0.252 | S | S | . | . | trans | -115.6 | 142 | 177.9 | -67.5 | 179.3 | 173.8 | -138.8 | 2.9 | 109.9 | G456 R457 T458 E484 A485 | R452-G456 WeakPolarHBondContact CD-O 3.45Å; R452-G456 PolarHBondContact NH1-O 3.26Å; R452-R457 VanDerWaalsContact CA-O 3.32Å; R452-R457 WeakPolarHBondContact CA-O 3.27Å; R452-T458 HydrophobicContact CG-CG2 4.14Å; R452-E484 IonicContact CZ-OE2 2.9Å; R452-E484 IonicContact NE-OE2 3.47Å; R452-E484 PolarHBondContact NE-OE2 3.47Å; R452-E484 IonicContact NH2-OE2 3.83Å; R452-E484 PolarHBondContact NH2-OE2 3.46Å; R452-A485 PolarHBondContact NH1-O 2.9Å | ||
| 453 | D | 93.6 | Very high | 91.1 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | trans | -71.4 | 179.5 | 171 | 79.2 | -2.5 | 0 | 0 | 0 | 111.7 | G423 R424 F455 G456 R457 Y462 | G423-D453 WeakPolarHBondContact O-CA 3.39Å; R424-D453 HydrophobicContact CG-CB 3.91Å; D453-F455 PolarHBondContact O-N 3.45Å; D453-F455 VanDerWaalsContact OD1-C 3.27Å; D453-F455 VanDerWaalsContact OD1-CA 3.28Å; D453-F455 WeakPolarHBondContact OD1-CA 3.41Å; D453-F455 WeakPolarHBondContact OD1-CB 3.38Å; D453-F455 PolarHBondContact OD1-N 3.23Å; D453-G456 PolarHBondContact O-N 3.24Å; D453-G456 PolarHBondContact OD1-N 3.3Å; D453-G456 VanDerWaalsContact OD1-N 3.09Å; D453-R457 PolarHBondContact N-O 2.94Å; D453-R457 WeakPolarHBondContact OD1-CB 3.49Å; D453-R457 PolarHBondContact OD1-N 3.48Å; D453-R457 IonicContact OD1-NE 3.79Å; D453-R457 IonicContact OD2-CZ 2.92Å; D453-R457 IonicContact OD2-NE 3.83Å; D453-R457 PolarHBondContact OD2-NE 3.43Å; D453-R457 IonicContact OD2-NH2 3.6Å; D453-R457 PolarHBondContact OD2-NH2 3.36Å; D453-Y462 PolarHBondContact OD2-OH 2.83Å | ||
| 454 | K | 93.3 | Very high | 91.2 | Very high | 151 Ų | 151 | 48 Ų | 48 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.2 | 178.3 | -74.6 | -178.9 | 178.3 | 179.5 | 0 | 114 | N421 L422 | N421-K454 WeakPolarHBondContact O-CE 3.44Å; N421-K454 PolarHBondContact O-NZ 2.97Å; L422-K454 WeakPolarHBondContact O-CB 3.2Å; L422-K454 WeakPolarHBondContact O-CG 3.36Å; L422-K454 PolarHBondContact O-N 3.19Å |
| 455 | F | 92.3 | Very high | 91.4 | Very high | 89 Ų | 89 | 45 Ų | 45 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 8.2 | 176.5 | -54.7 | -84.2 | 0 | 0 | 0 | 112 | D453 R457 C487 | D453-F455 PolarHBondContact O-N 3.45Å; D453-F455 VanDerWaalsContact OD1-C 3.27Å; D453-F455 VanDerWaalsContact OD1-CA 3.28Å; D453-F455 WeakPolarHBondContact OD1-CA 3.41Å; D453-F455 WeakPolarHBondContact OD1-CB 3.38Å; D453-F455 PolarHBondContact OD1-N 3.23Å; F455-R457 HydrophobicContact CB-CG 4.28Å; F455-R457 PolarHBondContact O-N 3.3Å; F455-C487 WeakPolarHBondContact O-CB 3.09Å; F455-C487 PolarHBondContact O-N 2.99Å; F455-C487 PolarHBondContact O-SG 2.97Å |
| 456 | G | 92.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 75.3 | 9.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | R452 D453 | R452-G456 WeakPolarHBondContact CD-O 3.45Å; R452-G456 PolarHBondContact NH1-O 3.26Å; D453-G456 PolarHBondContact O-N 3.24Å; D453-G456 PolarHBondContact OD1-N 3.3Å; D453-G456 VanDerWaalsContact OD1-N 3.09Å |
| 457 | R | 94.4 | Very high | 91.6 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 19% | 0.185 | 19% | 0.193 | C | C | . | . | trans | -83.3 | 140.6 | -178.3 | -62.8 | 174.9 | -65 | -169.1 | -0.4 | 110.5 | H428 R452 D453 F455 H461 Y462 D486 | H428-R457 PolarHBondContact NE2-O 3.22Å; H428-R457 VanDerWaalsContact NE2-O 3.15Å; R452-R457 VanDerWaalsContact CA-O 3.32Å; R452-R457 WeakPolarHBondContact CA-O 3.27Å; D453-R457 PolarHBondContact N-O 2.94Å; D453-R457 WeakPolarHBondContact OD1-CB 3.49Å; D453-R457 PolarHBondContact OD1-N 3.48Å; D453-R457 IonicContact OD1-NE 3.79Å; D453-R457 IonicContact OD2-CZ 2.92Å; D453-R457 IonicContact OD2-NE 3.83Å; D453-R457 PolarHBondContact OD2-NE 3.43Å; D453-R457 IonicContact OD2-NH2 3.6Å; D453-R457 PolarHBondContact OD2-NH2 3.36Å; F455-R457 HydrophobicContact CB-CG 4.28Å; F455-R457 PolarHBondContact O-N 3.3Å; R457-H461 HydrophobicContact CB-CB 4.01Å; R457-H461 HydrophobicContact CG-CB 4.37Å; R457-Y462 HydrophobicContact CB-CE2 4.03Å; R457-Y462 PolarHBondContact NH2-OH 3.4Å; R457-D486 HydrophobicContact CG-CB 3.64Å | ||
| 458 | T | 94.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | trans | -91.8 | 168.1 | 172.6 | 65.9 | 0 | 0 | 0 | 0 | 111 | R452 L460 H461 E484 | R452-T458 HydrophobicContact CG-CG2 4.14Å; T458-L460 PolarHBondContact O-N 3Å; T458-L460 VanDerWaalsContact O-N 3.15Å; T458-H461 PolarHBondContact N-ND1 3.02Å; T458-H461 WeakPolarHBondContact O-CB 3.37Å; T458-H461 PolarHBondContact O-N 3.45Å; T458-H461 PolarHBondContact OG1-ND1 3.07Å; T458-E484 HydrophobicContact CG2-CB 4.47Å; T458-E484 VanDerWaalsContact CG2-OE2 3.24Å; T458-E484 WeakPolarHBondContact CG2-OE2 3.45Å | ||
| 459 | P | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.9 | -32 | 173.3 | -26.5 | 35.5 | 0 | 0 | 0 | 113.4 | L427 A431 H461 Y462 A463 L475 | L427-P459 HydrophobicContact CB-CG 4.28Å; L427-P459 HydrophobicContact CD2-CB 4.34Å; L427-P459 HydrophobicContact CD2-CG 3.85Å; L427-P459 HydrophobicContact CG-CB 4.13Å; L427-P459 HydrophobicContact CG-CG 3.97Å; A431-P459 HydrophobicContact CB-CB 4.07Å; A431-P459 VanDerWaalsContact CB-O 3.23Å; A431-P459 WeakPolarHBondContact CB-O 3.36Å; P459-H461 VanDerWaalsContact C-N 3.3Å; P459-H461 PolarHBondContact O-N 2.97Å; P459-Y462 PolarHBondContact O-N 3.24Å; P459-Y462 VanDerWaalsContact O-N 3.11Å; P459-A463 PolarHBondContact O-N 3.5Å; P459-L475 HydrophobicContact CB-CD1 4.05Å; P459-L475 HydrophobicContact CB-CD2 4.22Å |
| 460 | L | 94.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -33.6 | 178.5 | -174.7 | 60.4 | 0 | 0 | 0 | 112.4 | T458 Y462 A463 A464 A472 L475 V476 A480 P492 L536 | T458-L460 PolarHBondContact O-N 3Å; T458-L460 VanDerWaalsContact O-N 3.15Å; L460-Y462 VanDerWaalsContact C-N 3.29Å; L460-Y462 PolarHBondContact O-N 2.65Å; L460-A463 PolarHBondContact O-N 3.26Å; L460-A464 VanDerWaalsContact O-CB 3.24Å; L460-A464 WeakPolarHBondContact O-CB 3.26Å; L460-A464 PolarHBondContact O-N 3Å; L460-A472 HydrophobicContact CD1-CB 4.11Å; L460-L475 HydrophobicContact CB-CD1 4.28Å; L460-L475 HydrophobicContact CD1-CB 4.13Å; L460-L475 HydrophobicContact CD1-CD1 4.28Å; L460-V476 HydrophobicContact CD1-CG2 4.04Å; L460-V476 HydrophobicContact CD2-CG2 3.99Å; L460-A480 HydrophobicContact CB-CB 4.39Å; L460-A480 HydrophobicContact CD2-CB 4.21Å; L460-P492 HydrophobicContact CB-CG 4.41Å; L460-P492 HydrophobicContact CD2-CB 4.25Å; L460-P492 HydrophobicContact CD2-CG 3.96Å; L460-P492 HydrophobicContact CG-CB 4.01Å; L460-P492 HydrophobicContact CG-CG 3.99Å; L460-L536 HydrophobicContact CD1-CD2 4.32Å; L460-L536 HydrophobicContact CD2-CD2 4.35Å |
| 461 | H | 94 | Very high | 92 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -38.3 | 174 | -67.7 | 78.7 | 0 | 0 | 0 | 111.7 | R457 T458 P459 A465 E484 C490 Y495 | R457-H461 HydrophobicContact CB-CB 4.01Å; R457-H461 HydrophobicContact CG-CB 4.37Å; T458-H461 PolarHBondContact N-ND1 3.02Å; T458-H461 WeakPolarHBondContact O-CB 3.37Å; T458-H461 PolarHBondContact O-N 3.45Å; T458-H461 PolarHBondContact OG1-ND1 3.07Å; P459-H461 VanDerWaalsContact C-N 3.3Å; P459-H461 PolarHBondContact O-N 2.97Å; H461-A465 WeakPolarHBondContact O-CB 3.35Å; H461-A465 PolarHBondContact O-N 3.48Å; H461-E484 PolarHBondContact CE1-O 3.16Å; H461-E484 PolarHBondContact NE2-O 3.01Å; H461-E484 VanDerWaalsContact NE2-O 3.07Å; H461-C490 PolarHBondContact NE2-O 3.46Å; H461-Y495 HydrophobicContact CB-CD2 4.46Å; H461-Y495 AromaticContact CD2-CD2 3.73Å; H461-Y495 AromaticContact CD2-CE2 3.63Å |
| 462 | Y | 92.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 34.7 Ų | 34.7 | 9% | 0.094 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.9 | -40.7 | 177.9 | -75.7 | -96.1 | 0 | 0 | 0 | 111.9 | R424 H428 D453 R457 P459 L460 A465 N466 | R424-Y462 WeakPolarHBondContact CD-OH 3.46Å; H428-Y462 HydrophobicContact CB-CD2 4.43Å; H428-Y462 HydrophobicContact CB-CE2 4.49Å; H428-Y462 AromaticContact CD2-CD2 3.76Å; H428-Y462 AromaticContact CD2-CE2 3.64Å; D453-Y462 PolarHBondContact OD2-OH 2.83Å; R457-Y462 HydrophobicContact CB-CE2 4.03Å; R457-Y462 PolarHBondContact NH2-OH 3.4Å; P459-Y462 PolarHBondContact O-N 3.24Å; P459-Y462 VanDerWaalsContact O-N 3.11Å; L460-Y462 VanDerWaalsContact C-N 3.29Å; L460-Y462 PolarHBondContact O-N 2.65Å; Y462-A465 PolarHBondContact O-N 3.37Å; Y462-N466 WeakPolarHBondContact O-CB 3.25Å; Y462-N466 PolarHBondContact O-N 3.1Å |
| 463 | A | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A431 P459 L460 N466 G467 S468 C471 L475 | A431-A463 HydrophobicContact CB-CB 4.19Å; P459-A463 PolarHBondContact O-N 3.5Å; L460-A463 PolarHBondContact O-N 3.26Å; A463-N466 PolarHBondContact O-N 3.3Å; A463-G467 PolarHBondContact O-N 3.32Å; A463-G467 VanDerWaalsContact O-N 3.1Å; A463-S468 PolarHBondContact O-N 3.47Å; A463-S468 VanDerWaalsContact O-N 3.08Å; A463-C471 HydrophobicContact CB-CB 3.95Å; A463-L475 HydrophobicContact CB-CD1 3.88Å |
| 464 | A | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L460 N466 G467 P492 A496 L536 | L460-A464 VanDerWaalsContact O-CB 3.24Å; L460-A464 WeakPolarHBondContact O-CB 3.26Å; L460-A464 PolarHBondContact O-N 3Å; A464-N466 VanDerWaalsContact C-N 3.28Å; A464-N466 PolarHBondContact O-N 2.96Å; A464-G467 PolarHBondContact O-N 2.68Å; A464-G467 VanDerWaalsContact O-N 3.07Å; A464-P492 HydrophobicContact CB-CB 4.1Å; A464-P492 VanDerWaalsContact CB-O 3.31Å; A464-P492 WeakPolarHBondContact CB-O 3.45Å; A464-A496 HydrophobicContact CB-CB 4.14Å; A464-L536 HydrophobicContact CB-CD1 4.33Å |
| 465 | A | 91.2 | Very high | 92.2 | Very high | 36 Ų | 36 | 23.8 Ų | 23.8 | 30% | 0.298 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -65.4 | -29.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H461 Y462 G467 Y495 | H461-A465 WeakPolarHBondContact O-CB 3.35Å; H461-A465 PolarHBondContact O-N 3.48Å; Y462-A465 PolarHBondContact O-N 3.37Å; A465-G467 VanDerWaalsContact C-N 3.32Å; A465-Y495 HydrophobicContact CB-CD1 3.86Å; A465-Y495 HydrophobicContact CB-CG 4.32Å |
| 466 | N | 87.1 | Confident | 92.3 | Very high | 46 Ų | 46 | 20.6 Ų | 20.6 | 25% | 0.246 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -9.9 | 174.6 | -165.9 | 54.4 | 0 | 0 | 0 | 112.6 | Y462 A463 A464 S468 | Y462-N466 WeakPolarHBondContact O-CB 3.25Å; Y462-N466 PolarHBondContact O-N 3.1Å; A463-N466 PolarHBondContact O-N 3.3Å; A464-N466 VanDerWaalsContact C-N 3.28Å; A464-N466 PolarHBondContact O-N 2.96Å; N466-S468 VanDerWaalsContact C-N 3.26Å; N466-S468 PolarHBondContact O-N 3.29Å |
| 467 | G | 86.3 | Confident | 92.3 | Very high | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 20.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A463 A464 A465 Y469 S499 E528 A529 | A463-G467 PolarHBondContact O-N 3.32Å; A463-G467 VanDerWaalsContact O-N 3.1Å; A464-G467 PolarHBondContact O-N 2.68Å; A464-G467 VanDerWaalsContact O-N 3.07Å; A465-G467 VanDerWaalsContact C-N 3.32Å; G467-Y469 PolarHBondContact O-N 3.26Å; G467-Y469 VanDerWaalsContact O-N 3.1Å; G467-S499 WeakPolarHBondContact CA-OG 3.46Å; G467-S499 PolarHBondContact N-OG 3.27Å; G467-E528 CarbonylContact O-C 3.51Å; G467-A529 PolarHBondContact O-N 3.43Å |
| 468 | S | 87.8 | Confident | 92.1 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | trans | -83.7 | 91 | -176.5 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | A463 N466 Q470 C471 A472 | A463-S468 PolarHBondContact O-N 3.47Å; A463-S468 VanDerWaalsContact O-N 3.08Å; N466-S468 VanDerWaalsContact C-N 3.26Å; N466-S468 PolarHBondContact O-N 3.29Å; S468-Q470 VanDerWaalsContact C-N 3.31Å; S468-Q470 PolarHBondContact O-N 3.23Å; S468-C471 PolarHBondContact O-N 3.01Å; S468-C471 VanDerWaalsContact O-N 3.16Å; S468-C471 WeakPolarHBondContact OG-CB 3.22Å; S468-C471 PolarHBondContact OG-SG 2.99Å; S468-A472 PolarHBondContact O-N 3.29Å | ||
| 469 | Y | 90.4 | Very high | 91.9 | Very high | 82 Ų | 82 | 26.1 Ų | 26.1 | 32% | 0.322 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -47.4 | -52.1 | 177.4 | 165.8 | -108.3 | 0 | 0 | 0 | 112.1 | G467 C471 A472 V473 F531 F535 | G467-Y469 PolarHBondContact O-N 3.26Å; G467-Y469 VanDerWaalsContact O-N 3.1Å; Y469-C471 VanDerWaalsContact C-N 3.32Å; Y469-C471 PolarHBondContact O-N 3.14Å; Y469-A472 WeakPolarHBondContact O-CB 3.45Å; Y469-A472 PolarHBondContact O-N 3.12Å; Y469-A472 VanDerWaalsContact O-N 3.08Å; Y469-V473 HydrophobicContact CD1-CG2 4.39Å; Y469-V473 HydrophobicContact CD2-CG2 3.91Å; Y469-V473 HydrophobicContact CE1-CG2 3.99Å; Y469-V473 HydrophobicContact CE2-CG2 3.47Å; Y469-V473 VanDerWaalsContact CE2-CG2 3.47Å; Y469-V473 HydrophobicContact CG-CG2 4.36Å; Y469-V473 WeakPolarHBondContact O-CG2 3.33Å; Y469-V473 PolarHBondContact O-N 2.94Å; Y469-F531 HydrophobicContact CD2-CB 3.82Å; Y469-F531 WeakPolarHBondContact CD2-O 3.27Å; Y469-F531 HydrophobicContact CE2-CB 4.3Å; Y469-F531 HydrophobicContact CG-CB 3.98Å; Y469-F535 HydrophobicContact CD2-CB 4.02Å; Y469-F535 HydrophobicContact CD2-CG 4.42Å; Y469-F535 HydrophobicContact CE2-CB 3.7Å; Y469-F535 HydrophobicContact CE2-CD2 4.03Å; Y469-F535 AromaticContact CE2-CG 3.9Å; Y469-F535 HydrophobicContact CE2-CG 3.9Å |
| 470 | Q | 91.6 | Very high | 91.8 | Very high | 96 Ų | 96 | 26.7 Ų | 26.7 | 45% | 0.449 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.2 | -32.5 | -174.5 | -163.4 | 65.9 | 24.1 | 0 | 0 | 112.9 | V436 S468 T474 | V436-Q470 HydrophobicContact CB-CG 4.22Å; V436-Q470 HydrophobicContact CG1-CG 3.95Å; V436-Q470 HydrophobicContact CG2-CB 3.5Å; V436-Q470 HydrophobicContact CG2-CG 3.36Å; S468-Q470 VanDerWaalsContact C-N 3.31Å; S468-Q470 PolarHBondContact O-N 3.23Å; Q470-T474 WeakPolarHBondContact O-CB 3.48Å; Q470-T474 PolarHBondContact O-N 3.17Å; Q470-T474 VanDerWaalsContact O-N 3.07Å; Q470-T474 PolarHBondContact O-OG1 2.78Å |
| 471 | C | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.5 | -40.2 | 172.2 | -70.4 | 0 | 0 | 0 | 0 | 111.4 | L439 A463 S468 Y469 T474 L475 | L439-C471 HydrophobicContact CD2-CB 4.3Å; A463-C471 HydrophobicContact CB-CB 3.95Å; S468-C471 PolarHBondContact O-N 3.01Å; S468-C471 VanDerWaalsContact O-N 3.16Å; S468-C471 WeakPolarHBondContact OG-CB 3.22Å; S468-C471 PolarHBondContact OG-SG 2.99Å; Y469-C471 VanDerWaalsContact C-N 3.32Å; Y469-C471 PolarHBondContact O-N 3.14Å; C471-T474 PolarHBondContact O-N 3.35Å; C471-L475 WeakPolarHBondContact O-CB 3.18Å; C471-L475 WeakPolarHBondContact O-CG 3.47Å; C471-L475 PolarHBondContact O-N 3.04Å |
| 472 | A | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L460 S468 Y469 T474 L475 V476 | L460-A472 HydrophobicContact CD1-CB 4.11Å; S468-A472 PolarHBondContact O-N 3.29Å; Y469-A472 WeakPolarHBondContact O-CB 3.45Å; Y469-A472 PolarHBondContact O-N 3.12Å; Y469-A472 VanDerWaalsContact O-N 3.08Å; A472-T474 VanDerWaalsContact C-N 3.34Å; A472-T474 PolarHBondContact O-N 3.31Å; A472-L475 PolarHBondContact O-N 2.84Å; A472-V476 WeakPolarHBondContact O-CB 3.38Å; A472-V476 VanDerWaalsContact O-CG2 3.3Å; A472-V476 WeakPolarHBondContact O-CG2 3.43Å; A472-V476 PolarHBondContact O-N 3.01Å |
| 473 | V | 94.1 | Very high | 91.6 | Very high | 24 Ų | 24 | 30.4 Ų | 30.4 | 15% | 0.145 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.5 | -50.2 | 174.1 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | Y469 L475 V476 T477 F535 | Y469-V473 HydrophobicContact CD1-CG2 4.39Å; Y469-V473 HydrophobicContact CD2-CG2 3.91Å; Y469-V473 HydrophobicContact CE1-CG2 3.99Å; Y469-V473 HydrophobicContact CE2-CG2 3.47Å; Y469-V473 VanDerWaalsContact CE2-CG2 3.47Å; Y469-V473 HydrophobicContact CG-CG2 4.36Å; Y469-V473 WeakPolarHBondContact O-CG2 3.33Å; Y469-V473 PolarHBondContact O-N 2.94Å; V473-L475 VanDerWaalsContact C-N 3.35Å; V473-L475 PolarHBondContact O-N 3.35Å; V473-V476 PolarHBondContact O-N 2.86Å; V473-T477 HydrophobicContact CG1-CG2 4.24Å; V473-T477 WeakPolarHBondContact O-CB 3.28Å; V473-T477 VanDerWaalsContact O-CG2 3.23Å; V473-T477 WeakPolarHBondContact O-CG2 3.43Å; V473-T477 PolarHBondContact O-N 2.83Å; V473-T477 PolarHBondContact O-OG1 2.83Å; V473-F535 HydrophobicContact CB-CE1 4.28Å; V473-F535 HydrophobicContact CB-CZ 4.13Å; V473-F535 HydrophobicContact CG1-CZ 4.26Å; V473-F535 HydrophobicContact CG2-CD1 4.04Å; V473-F535 HydrophobicContact CG2-CD2 3.98Å; V473-F535 HydrophobicContact CG2-CE1 3.9Å; V473-F535 HydrophobicContact CG2-CE2 3.82Å; V473-F535 HydrophobicContact CG2-CG 4.09Å; V473-F535 HydrophobicContact CG2-CZ 3.79Å |
| 474 | T | 93.7 | Very high | 91.6 | Very high | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | -178.3 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | L439 N440 L443 Q470 C471 A472 T477 A478 | L439-T474 HydrophobicContact CD2-CG2 3.68Å; L439-T474 HydrophobicContact CG-CG2 4.45Å; N440-T474 WeakPolarHBondContact OD1-CG2 3.25Å; L443-T474 HydrophobicContact CD1-CG2 3.93Å; Q470-T474 WeakPolarHBondContact O-CB 3.48Å; Q470-T474 PolarHBondContact O-N 3.17Å; Q470-T474 VanDerWaalsContact O-N 3.07Å; Q470-T474 PolarHBondContact O-OG1 2.78Å; C471-T474 PolarHBondContact O-N 3.35Å; A472-T474 VanDerWaalsContact C-N 3.34Å; A472-T474 PolarHBondContact O-N 3.31Å; T474-T477 WeakPolarHBondContact CA-OG1 3.23Å; T474-T477 PolarHBondContact O-OG1 2.97Å; T474-A478 VanDerWaalsContact O-CB 3.27Å; T474-A478 WeakPolarHBondContact O-CB 3.22Å; T474-A478 PolarHBondContact O-N 2.82Å |
| 475 | L | 94.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.8 | -43.1 | 179 | -72.5 | 173.4 | 0 | 0 | 0 | 112.5 | L427 A431 L439 P459 L460 A463 C471 A472 V473 A478 G479 A480 | L427-L475 HydrophobicContact CD2-CD2 4.48Å; A431-L475 HydrophobicContact CB-CD1 4.14Å; L439-L475 HydrophobicContact CD1-CD2 4.12Å; L439-L475 HydrophobicContact CD2-CD2 4.05Å; L439-L475 HydrophobicContact CD2-CG 3.86Å; L439-L475 HydrophobicContact CG-CD2 4.41Å; P459-L475 HydrophobicContact CB-CD1 4.05Å; P459-L475 HydrophobicContact CB-CD2 4.22Å; L460-L475 HydrophobicContact CB-CD1 4.28Å; L460-L475 HydrophobicContact CD1-CB 4.13Å; L460-L475 HydrophobicContact CD1-CD1 4.28Å; A463-L475 HydrophobicContact CB-CD1 3.88Å; C471-L475 WeakPolarHBondContact O-CB 3.18Å; C471-L475 WeakPolarHBondContact O-CG 3.47Å; C471-L475 PolarHBondContact O-N 3.04Å; A472-L475 PolarHBondContact O-N 2.84Å; V473-L475 VanDerWaalsContact C-N 3.35Å; V473-L475 PolarHBondContact O-N 3.35Å; L475-A478 PolarHBondContact O-N 3.03Å; L475-G479 PolarHBondContact O-N 3.44Å; L475-A480 HydrophobicContact CB-CB 4.14Å; L475-A480 WeakPolarHBondContact O-CB 3.14Å; L475-A480 PolarHBondContact O-N 3.09Å |
| 476 | V | 94.1 | Very high | 91.7 | Very high | 22 Ų | 22 | 33 Ų | 33 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.3 | -42.3 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | L460 A472 V473 A478 G479 V482 F535 L536 N539 | L460-V476 HydrophobicContact CD1-CG2 4.04Å; L460-V476 HydrophobicContact CD2-CG2 3.99Å; A472-V476 WeakPolarHBondContact O-CB 3.38Å; A472-V476 VanDerWaalsContact O-CG2 3.3Å; A472-V476 WeakPolarHBondContact O-CG2 3.43Å; A472-V476 PolarHBondContact O-N 3.01Å; V473-V476 PolarHBondContact O-N 2.86Å; V476-A478 VanDerWaalsContact C-N 3.28Å; V476-A478 PolarHBondContact O-N 3.26Å; V476-G479 WeakPolarHBondContact O-CA 3.43Å; V476-G479 PolarHBondContact O-N 3.22Å; V476-V482 HydrophobicContact CG1-CG2 4.08Å; V476-V482 HydrophobicContact CG2-CG2 3.99Å; V476-F535 HydrophobicContact CB-CE1 3.89Å; V476-F535 HydrophobicContact CB-CZ 4.34Å; V476-F535 HydrophobicContact CG1-CE1 4.14Å; V476-F535 HydrophobicContact CG1-CZ 4.34Å; V476-F535 HydrophobicContact CG2-CE1 4.05Å; V476-L536 HydrophobicContact CG2-CD2 4.31Å; V476-N539 HydrophobicContact CG1-CB 4.23Å |
| 477 | T | 92.3 | Very high | 91.9 | Very high | 108 Ų | 108 | 33.1 Ų | 33.1 | 66% | 0.663 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -64.7 | -31.1 | 174.7 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | V473 T474 G479 | V473-T477 HydrophobicContact CG1-CG2 4.24Å; V473-T477 WeakPolarHBondContact O-CB 3.28Å; V473-T477 VanDerWaalsContact O-CG2 3.23Å; V473-T477 WeakPolarHBondContact O-CG2 3.43Å; V473-T477 PolarHBondContact O-N 2.83Å; V473-T477 PolarHBondContact O-OG1 2.83Å; T474-T477 WeakPolarHBondContact CA-OG1 3.23Å; T474-T477 PolarHBondContact O-OG1 2.97Å; T477-G479 PolarHBondContact O-N 3.41Å |
| 478 | A | 90.9 | Very high | 92 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -1.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114 | L443 L449 T474 L475 V476 | L443-A478 HydrophobicContact CD1-CB 4.1Å; L443-A478 HydrophobicContact CD2-CB 4.49Å; L449-A478 HydrophobicContact CD2-CB 4.2Å; L449-A478 WeakPolarHBondContact CD2-O 3.45Å; T474-A478 VanDerWaalsContact O-CB 3.27Å; T474-A478 WeakPolarHBondContact O-CB 3.22Å; T474-A478 PolarHBondContact O-N 2.82Å; L475-A478 PolarHBondContact O-N 3.03Å; V476-A478 VanDerWaalsContact C-N 3.28Å; V476-A478 PolarHBondContact O-N 3.26Å |
| 479 | G | 90.4 | Very high | 92.1 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 27.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R450 L475 V476 T477 | R450-G479 PolarHBondContact NH2-O 3.37Å; L475-G479 PolarHBondContact O-N 3.44Å; V476-G479 WeakPolarHBondContact O-CA 3.43Å; V476-G479 PolarHBondContact O-N 3.22Å; T477-G479 PolarHBondContact O-N 3.41Å |
| 480 | A | 92.4 | Very high | 92.2 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | trans | -68.3 | 138.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L460 L475 V482 | L460-A480 HydrophobicContact CB-CB 4.39Å; L460-A480 HydrophobicContact CD2-CB 4.21Å; L475-A480 HydrophobicContact CB-CB 4.14Å; L475-A480 WeakPolarHBondContact O-CB 3.14Å; L475-A480 PolarHBondContact O-N 3.09Å; A480-V482 PolarHBondContact O-N 3.36Å | ||
| 481 | G | 91.9 | Very high | 92.4 | Very high | 21 Ų | 21 | 30.2 Ų | 30.2 | 22% | 0.216 | 20% | 0.197 | C | C | . | . | trans | -73.4 | 119.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 482 | V | 92.8 | Very high | 92.5 | Very high | 17 Ų | 17 | 30.2 Ų | 30.2 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -31.5 | -174.8 | -179.2 | 0 | 0 | 0 | 0 | 112.9 | V476 A480 P492 L536 A541 | V476-V482 HydrophobicContact CG1-CG2 4.08Å; V476-V482 HydrophobicContact CG2-CG2 3.99Å; A480-V482 PolarHBondContact O-N 3.36Å; V482-P492 VanDerWaalsContact O-CD 3.28Å; V482-P492 WeakPolarHBondContact O-CD 3.5Å; V482-P492 WeakPolarHBondContact O-CG 3.43Å; V482-L536 HydrophobicContact CG1-CB 4.47Å; V482-L536 HydrophobicContact CG1-CD2 4.03Å; V482-A541 HydrophobicContact CG1-CB 3.54Å |
| 483 | N | 92.9 | Very high | 92.5 | Very high | 67 Ų | 67 | 30.3 Ų | 30.3 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 18.4 | -177.9 | -68.5 | -40.6 | 0 | 0 | 0 | 113.5 | A485 G540 A541 D542 L545 | N483-A485 PolarHBondContact O-N 3.37Å; N483-G540 PolarHBondContact ND2-O 2.94Å; N483-A541 WeakPolarHBondContact OD1-CA 3.27Å; N483-D542 PolarHBondContact OD1-N 3.41Å; N483-L545 HydrophobicContact CB-CD1 4.02Å |
| 484 | E | 91.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 29.2 Ų | 29.2 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | trans | -68.2 | 123.6 | 177.3 | -73 | -164.9 | -157.4 | 0 | 0 | 110.8 | R450 R452 T458 H461 P492 | R450-E484 IonicContact NH1-OE1 3.76Å; R452-E484 IonicContact CZ-OE2 2.9Å; R452-E484 IonicContact NE-OE2 3.47Å; R452-E484 PolarHBondContact NE-OE2 3.47Å; R452-E484 IonicContact NH2-OE2 3.83Å; R452-E484 PolarHBondContact NH2-OE2 3.46Å; T458-E484 HydrophobicContact CG2-CB 4.47Å; T458-E484 VanDerWaalsContact CG2-OE2 3.24Å; T458-E484 WeakPolarHBondContact CG2-OE2 3.45Å; H461-E484 PolarHBondContact CE1-O 3.16Å; H461-E484 PolarHBondContact NE2-O 3.01Å; H461-E484 VanDerWaalsContact NE2-O 3.07Å; E484-P492 WeakPolarHBondContact O-CD 3.48Å | ||
| 485 | A | 92.2 | Very high | 92.4 | Very high | 44 Ų | 44 | 30.9 Ų | 30.9 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | trans | -87.8 | 142.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R452 N483 | R452-A485 PolarHBondContact NH1-O 2.9Å; N483-A485 PolarHBondContact O-N 3.37Å | ||
| 486 | D | 93.3 | Very high | 92.3 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | trans | -78.1 | -174.2 | 170.1 | 77.8 | 2.3 | 0 | 0 | 0 | 112.5 | R457 K488 G489 C490 Y495 | R457-D486 HydrophobicContact CG-CB 3.64Å; D486-K488 PolarHBondContact O-N 3.02Å; D486-K488 VanDerWaalsContact OD1-CA 3.29Å; D486-K488 WeakPolarHBondContact OD1-CA 3.27Å; D486-K488 WeakPolarHBondContact OD1-CB 3.36Å; D486-K488 PolarHBondContact OD1-N 3.02Å; D486-G489 PolarHBondContact O-N 3.32Å; D486-G489 PolarHBondContact OD1-N 3.41Å; D486-C490 PolarHBondContact N-O 3.12Å; D486-C490 PolarHBondContact OD1-N 3.22Å; D486-Y495 PolarHBondContact OD2-OH 3.29Å | ||
| 487 | C | 92.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 29.8 Ų | 29.8 | 34% | 0.338 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.3 | 178.9 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | F455 R548 | F455-C487 WeakPolarHBondContact O-CB 3.09Å; F455-C487 PolarHBondContact O-N 2.99Å; F455-C487 PolarHBondContact O-SG 2.97Å; C487-R548 PolarHBondContact O-NE 2.91Å; C487-R548 PolarHBondContact O-NH1 2.82Å; C487-R548 VanDerWaalsContact O-NH1 3.09Å; C487-R548 PolarHBondContact O-NH2 3.38Å |
| 488 | K | 88.3 | Confident | 92 | Very high | 112 Ų | 112 | 25.3 Ų | 25.3 | 49% | 0.487 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -6.4 | 173.7 | -66.4 | -178 | 179.2 | 179.7 | 0 | 112.2 | D486 C490 R548 | D486-K488 PolarHBondContact O-N 3.02Å; D486-K488 VanDerWaalsContact OD1-CA 3.29Å; D486-K488 WeakPolarHBondContact OD1-CA 3.27Å; D486-K488 WeakPolarHBondContact OD1-CB 3.36Å; D486-K488 PolarHBondContact OD1-N 3.02Å; K488-C490 VanDerWaalsContact C-N 3.33Å; K488-R548 VanDerWaalsContact O-CB 3.29Å; K488-R548 WeakPolarHBondContact O-CB 3.28Å; K488-R548 VanDerWaalsContact O-CG 3.24Å; K488-R548 WeakPolarHBondContact O-CG 3.49Å; K488-R548 PolarHBondContact O-N 3.22Å |
| 489 | G | 90.4 | Very high | 91.6 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 18% | 0.175 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 87 | 4.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D486 | D486-G489 PolarHBondContact O-N 3.32Å; D486-G489 PolarHBondContact OD1-N 3.41Å |
| 490 | C | 92.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | trans | -79.5 | 128.2 | -179.7 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | H461 D486 K488 H494 Y495 Y556 | H461-C490 PolarHBondContact NE2-O 3.46Å; D486-C490 PolarHBondContact N-O 3.12Å; D486-C490 PolarHBondContact OD1-N 3.22Å; K488-C490 VanDerWaalsContact C-N 3.33Å; C490-H494 HydrophobicContact CB-CB 4.18Å; C490-Y495 HydrophobicContact CB-CD2 4.28Å; C490-Y495 HydrophobicContact CB-CE2 3.62Å; C490-Y556 PolarHBondContact SG-OH 3.44Å | ||
| 491 | S | 94.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | trans | -85.7 | 165.3 | 169.6 | 70.5 | 0 | 0 | 0 | 0 | 111.3 | L493 H494 Y495 | S491-L493 PolarHBondContact O-N 2.96Å; S491-L493 VanDerWaalsContact O-N 3.13Å; S491-H494 PolarHBondContact N-ND1 3.43Å; S491-H494 WeakPolarHBondContact O-CB 3.29Å; S491-H494 PolarHBondContact O-N 3.02Å; S491-H494 PolarHBondContact OG-ND1 3.48Å; S491-Y495 WeakPolarHBondContact O-CD2 3.19Å | ||
| 492 | P | 94.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -50.9 | -34.5 | 172.1 | -28.6 | 34.5 | 0 | 0 | 0 | 113.7 | L460 A464 V482 E484 H494 Y495 A496 | L460-P492 HydrophobicContact CB-CG 4.41Å; L460-P492 HydrophobicContact CD2-CB 4.25Å; L460-P492 HydrophobicContact CD2-CG 3.96Å; L460-P492 HydrophobicContact CG-CB 4.01Å; L460-P492 HydrophobicContact CG-CG 3.99Å; A464-P492 HydrophobicContact CB-CB 4.1Å; A464-P492 VanDerWaalsContact CB-O 3.31Å; A464-P492 WeakPolarHBondContact CB-O 3.45Å; V482-P492 VanDerWaalsContact O-CD 3.28Å; V482-P492 WeakPolarHBondContact O-CD 3.5Å; V482-P492 WeakPolarHBondContact O-CG 3.43Å; E484-P492 WeakPolarHBondContact O-CD 3.48Å; P492-H494 VanDerWaalsContact C-N 3.31Å; P492-H494 PolarHBondContact O-N 2.98Å; P492-Y495 PolarHBondContact O-N 3.39Å; P492-Y495 VanDerWaalsContact O-N 3.16Å; P492-A496 PolarHBondContact O-N 3.38Å |
| 493 | L | 93.3 | Very high | 83.6 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -36 | 177.1 | -173.1 | 65.6 | 0 | 0 | 0 | 112.7 | S491 Y495 A496 A497 L533 L536 L537 A541 P543 A553 L569 | S491-L493 PolarHBondContact O-N 2.96Å; S491-L493 VanDerWaalsContact O-N 3.13Å; L493-Y495 VanDerWaalsContact C-N 3.33Å; L493-Y495 PolarHBondContact O-N 2.95Å; L493-A496 PolarHBondContact O-N 2.88Å; L493-A497 VanDerWaalsContact O-CB 3.29Å; L493-A497 WeakPolarHBondContact O-CB 3.44Å; L493-A497 PolarHBondContact O-N 3.33Å; L493-L533 HydrophobicContact CD1-CD1 4.23Å; L493-L533 HydrophobicContact CD1-CG 3.98Å; L493-L536 HydrophobicContact CD1-CB 4.39Å; L493-L537 HydrophobicContact CD1-CD2 3.99Å; L493-L537 HydrophobicContact CD1-CG 3.99Å; L493-L537 HydrophobicContact CD2-CD2 3.77Å; L493-A541 HydrophobicContact CB-CB 4.28Å; L493-A541 HydrophobicContact CD1-CB 4.3Å; L493-A541 HydrophobicContact CD2-CB 4.01Å; L493-A541 HydrophobicContact CG-CB 4.43Å; L493-P543 HydrophobicContact CD2-CB 4.07Å; L493-A553 HydrophobicContact CD2-CB 4.2Å; L493-A553 HydrophobicContact CG-CB 4.04Å; L493-L569 HydrophobicContact CD2-CD2 4.49Å |
| 494 | H | 92.3 | Very high | 81 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 175.1 | -66.7 | 81.7 | 0 | 0 | 0 | 111.5 | C490 S491 P492 A497 A498 L545 Y551 Y556 | C490-H494 HydrophobicContact CB-CB 4.18Å; S491-H494 PolarHBondContact N-ND1 3.43Å; S491-H494 WeakPolarHBondContact O-CB 3.29Å; S491-H494 PolarHBondContact O-N 3.02Å; S491-H494 PolarHBondContact OG-ND1 3.48Å; P492-H494 VanDerWaalsContact C-N 3.31Å; P492-H494 PolarHBondContact O-N 2.98Å; H494-A497 PolarHBondContact O-N 3.05Å; H494-A498 WeakPolarHBondContact O-CB 3.49Å; H494-A498 PolarHBondContact O-N 2.96Å; H494-A498 VanDerWaalsContact O-N 3.09Å; H494-L545 PolarHBondContact CE1-O 2.89Å; H494-L545 VanDerWaalsContact CE1-O 3.3Å; H494-L545 PolarHBondContact NE2-O 3.37Å; H494-L545 VanDerWaalsContact NE2-O 3.16Å; H494-Y551 PolarHBondContact NE2-O 3.12Å; H494-Y556 HydrophobicContact CB-CD2 4.29Å; H494-Y556 HydrophobicContact CB-CE2 4.42Å; H494-Y556 HydrophobicContact CB-CG 4.45Å; H494-Y556 AromaticContact CD2-CD2 3.67Å; H494-Y556 AromaticContact CD2-CE2 3.65Å |
| 495 | Y | 92.4 | Very high | 78.1 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.3 | -39.5 | 177.3 | -73.8 | -87.9 | 0 | 0 | 0 | 112.1 | H461 A465 D486 C490 S491 P492 L493 A497 A498 S499 | H461-Y495 HydrophobicContact CB-CD2 4.46Å; H461-Y495 AromaticContact CD2-CD2 3.73Å; H461-Y495 AromaticContact CD2-CE2 3.63Å; A465-Y495 HydrophobicContact CB-CD1 3.86Å; A465-Y495 HydrophobicContact CB-CG 4.32Å; D486-Y495 PolarHBondContact OD2-OH 3.29Å; C490-Y495 HydrophobicContact CB-CD2 4.28Å; C490-Y495 HydrophobicContact CB-CE2 3.62Å; S491-Y495 WeakPolarHBondContact O-CD2 3.19Å; P492-Y495 PolarHBondContact O-N 3.39Å; P492-Y495 VanDerWaalsContact O-N 3.16Å; L493-Y495 VanDerWaalsContact C-N 3.33Å; L493-Y495 PolarHBondContact O-N 2.95Å; Y495-A497 VanDerWaalsContact C-N 3.34Å; Y495-A498 PolarHBondContact O-N 3.28Å; Y495-S499 PolarHBondContact O-N 3.05Å |
| 496 | A | 92.3 | Very high | 75 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A464 P492 L493 A498 S499 L533 L536 N565 | A464-A496 HydrophobicContact CB-CB 4.14Å; P492-A496 PolarHBondContact O-N 3.38Å; L493-A496 PolarHBondContact O-N 2.88Å; A496-A498 VanDerWaalsContact C-N 3.3Å; A496-A498 PolarHBondContact O-N 3.41Å; A496-S499 VanDerWaalsContact O-CB 3.31Å; A496-S499 WeakPolarHBondContact O-CB 3.23Å; A496-S499 PolarHBondContact O-N 3.13Å; A496-S499 VanDerWaalsContact O-N 3.13Å; A496-L533 HydrophobicContact CB-CB 4.23Å; A496-L533 HydrophobicContact CB-CD1 4.24Å; A496-L536 HydrophobicContact CB-CD1 3.85Å; A496-N565 PolarHBondContact O-ND2 3.5Å |
| 497 | A | 90.6 | Very high | 71.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L493 H494 Y495 S499 L533 A553 A557 N562 L569 | L493-A497 VanDerWaalsContact O-CB 3.29Å; L493-A497 WeakPolarHBondContact O-CB 3.44Å; L493-A497 PolarHBondContact O-N 3.33Å; H494-A497 PolarHBondContact O-N 3.05Å; Y495-A497 VanDerWaalsContact C-N 3.34Å; A497-S499 VanDerWaalsContact C-N 3.32Å; A497-L533 HydrophobicContact CB-CD1 3.93Å; A497-A553 HydrophobicContact CB-CB 4.01Å; A497-A553 VanDerWaalsContact CB-O 3.32Å; A497-A553 WeakPolarHBondContact CB-O 3.45Å; A497-A557 HydrophobicContact CB-CB 4.21Å; A497-A557 WeakPolarHBondContact O-CA 3.26Å; A497-N562 PolarHBondContact O-ND2 3.22Å; A497-L569 HydrophobicContact CB-CD1 3.93Å |
| 498 | A | 88.9 | Confident | 68.9 | Low | 14 Ų | 14 | 59.7 Ų | 59.7 | 12% | 0.116 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H494 Y495 A496 D500 Y556 Y560 | H494-A498 WeakPolarHBondContact O-CB 3.49Å; H494-A498 PolarHBondContact O-N 2.96Å; H494-A498 VanDerWaalsContact O-N 3.09Å; Y495-A498 PolarHBondContact O-N 3.28Å; A496-A498 VanDerWaalsContact C-N 3.3Å; A496-A498 PolarHBondContact O-N 3.41Å; A498-D500 VanDerWaalsContact C-N 3.3Å; A498-D500 PolarHBondContact O-N 3.17Å; A498-Y556 HydrophobicContact CB-CD1 4.03Å; A498-Y560 HydrophobicContact CB-CD2 3.56Å; A498-Y560 HydrophobicContact CB-CE2 3.58Å; A498-Y560 HydrophobicContact CB-CG 4.23Å |
| 499 | S | 83.9 | Confident | 65.9 | Low | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | trans | -73.7 | 81 | -171.4 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | G467 Y495 A496 A497 T501 | G467-S499 WeakPolarHBondContact CA-OG 3.46Å; G467-S499 PolarHBondContact N-OG 3.27Å; Y495-S499 PolarHBondContact O-N 3.05Å; A496-S499 VanDerWaalsContact O-CB 3.31Å; A496-S499 WeakPolarHBondContact O-CB 3.23Å; A496-S499 PolarHBondContact O-N 3.13Å; A496-S499 VanDerWaalsContact O-N 3.13Å; A497-S499 VanDerWaalsContact C-N 3.32Å; S499-T501 PolarHBondContact O-N 3.02Å | ||
| 500 | D | 67.3 | Low | 62.8 | Low | 68 Ų | 68 | 62.9 Ų | 62.9 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -86.6 | 71.7 | 159.8 | -169.1 | 20.2 | 0 | 0 | 0 | 107.6 | A498 | A498-D500 VanDerWaalsContact C-N 3.3Å; A498-D500 PolarHBondContact O-N 3.17Å |
| 501 | T | 52.5 | Low | 59.5 | Low | 31 Ų | 31 | 65.6 Ų | 65.6 | 19% | 0.19 | 34% | 0.339 | C | S | . | . | trans | 29.1 | 98 | 176.8 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | S499 R503 R525 R526 | S499-T501 PolarHBondContact O-N 3.02Å; T501-R503 PolarHBondContact O-N 3.32Å; T501-R525 HydrophobicContact CG2-CB 3.47Å; T501-R525 VanDerWaalsContact CG2-CB 3.47Å; T501-R526 HydrophobicContact CG2-CG 4.43Å | ||
| 502 | Y | 40.6 | Very low | 56.5 | Low | 142 Ų | 142 | 71.2 Ų | 71.2 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | trans | -28.5 | 110 | 177.6 | -171.3 | -89.3 | 0 | 0 | 0 | 112.5 | R504 | Y502-R504 HydrophobicContact CD1-CB 3.99Å; Y502-R504 HydrophobicContact CD1-CG 4.04Å; Y502-R504 HydrophobicContact CE1-CB 4.2Å; Y502-R504 HydrophobicContact CE1-CG 3.85Å; Y502-R504 PolarHBondContact O-N 3.44Å | ||
| 503 | R | 38.3 | Very low | 53.5 | Low | 238 Ų | 238 | 79 Ų | 79 | 90% | 0.898 | 42% | 0.415 | S | S | * | . | trans | -66.3 | 80.1 | 172.9 | -169.9 | -172.1 | -107 | 177.7 | -2.9 | 107.6 | T501 A505 | T501-R503 PolarHBondContact O-N 3.32Å; R503-A505 PolarHBondContact O-N 2.89Å | ||
| 504 | R | 39.1 | Very low | 50.4 | Low | 108 Ų | 108 | 84.2 Ų | 84.2 | 41% | 0.408 | 44% | 0.442 | S | S | . | . | trans | -67 | 92.1 | 161 | -129.8 | -179.5 | -174.4 | 156.4 | 1.5 | 103.8 | L381 Y502 E506 | L381-R504 PolarHBondContact O-NH2 3.17Å; Y502-R504 HydrophobicContact CD1-CB 3.99Å; Y502-R504 HydrophobicContact CD1-CG 4.04Å; Y502-R504 HydrophobicContact CE1-CB 4.2Å; Y502-R504 HydrophobicContact CE1-CG 3.85Å; Y502-R504 PolarHBondContact O-N 3.44Å; R504-E506 PolarHBondContact O-N 3.42Å | ||
| 505 | A | 31.2 | Very low | 47.7 | Very low | 81 Ų | 81 | 89 Ų | 89 | 67% | 0.669 | 48% | 0.483 | S | S | * | . | trans | -58.2 | 96 | 157.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | R503 | R503-A505 PolarHBondContact O-N 2.89Š| ||
| 506 | E | 26.5 | Very low | 45.2 | Very low | 114 Ų | 114 | 95.2 Ų | 95.2 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | trans | -45.7 | 128 | 161.4 | -78.1 | -66.4 | 154.4 | 0 | 0 | 107.1 | R504 H508 | R504-E506 PolarHBondContact O-N 3.42Å; E506-H508 HydrophobicContact CB-CB 4.38Å; E506-H508 PolarHBondContact O-N 3.46Å; E506-H508 IonicContact OE2-CD2 2.86Å; E506-H508 PolarHBondContact OE2-CD2 3.2Å; E506-H508 IonicContact OE2-NE2 3.96Å | ||
| 507 | P | 28.1 | Very low | 42.9 | Very low | 125 Ų | 125 | 101.3 Ų | 101.3 | 81% | 0.812 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -76.5 | 47.8 | 169.8 | 33.8 | -32.4 | 0 | 0 | 0 | 109.6 | ||
| 508 | H | 28.3 | Very low | 41.1 | Very low | 143 Ų | 143 | 106.5 Ų | 106.5 | 66% | 0.662 | 57% | 0.569 | S | S | * | * | trans | -95.6 | 130.2 | 166.2 | -71.6 | -53.9 | 0 | 0 | 0 | 107.9 | E506 | E506-H508 HydrophobicContact CB-CB 4.38Å; E506-H508 PolarHBondContact O-N 3.46Å; E506-H508 IonicContact OE2-CD2 2.86Å; E506-H508 PolarHBondContact OE2-CD2 3.2Å; E506-H508 IonicContact OE2-NE2 3.96Å | ||
| 509 | T | 26.1 | Very low | 39.7 | Very low | 83 Ų | 83 | 112 Ų | 112 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | trans | -46.1 | 133.8 | 173.4 | 42 | 0 | 0 | 0 | 0 | 110.5 | S511 A1067 | T509-S511 PolarHBondContact O-N 3.45Å; T509-A1067 HydrophobicContact CG2-CB 3.24Å | ||
| 510 | P | 24.7 | Very low | 38.6 | Very low | 113 Ų | 113 | 116 Ų | 116 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | trans | -68.3 | 93.7 | 166.9 | 28.7 | -29.1 | 0 | 0 | 0 | 106.5 | ||||
| 511 | S | 25 | Very low | 38.4 | Very low | 59 Ų | 59 | 117.4 Ų | 117.4 | 41% | 0.413 | 63% | 0.626 | S | S | . | * | trans | -66.3 | 142.7 | 153.7 | 83.3 | 0 | 0 | 0 | 0 | 105.9 | T509 H513 D514 | T509-S511 PolarHBondContact O-N 3.45Å; S511-H513 PolarHBondContact O-N 3.07Å; S511-D514 PolarHBondContact O-N 2.71Å; S511-D514 PolarHBondContact OG-OD2 2.95Å | ||
| 512 | S | 30.1 | Very low | 39 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 84% | 0.839 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 30.2 | -178.9 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 513 | H | 32.3 | Very low | 40.5 | Very low | 163 Ų | 163 | 116 Ų | 116 | 76% | 0.755 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | -2.9 | 178.4 | -82.1 | -59.8 | 0 | 0 | 0 | 114.4 | S511 A515 | S511-H513 PolarHBondContact O-N 3.07Å; H513-A515 PolarHBondContact O-N 3.27Å |
| 514 | D | 28.9 | Very low | 42.2 | Very low | 110 Ų | 110 | 107.4 Ų | 107.4 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 40.2 | -175 | -57.5 | -50.6 | 0 | 0 | 0 | 113.7 | S511 E516 | S511-D514 PolarHBondContact O-N 2.71Å; S511-D514 PolarHBondContact OG-OD2 2.95Å; D514-E516 VanDerWaalsContact C-N 3.34Å |
| 515 | A | 34.6 | Very low | 43.8 | Very low | 104 Ų | 104 | 108.4 Ų | 108.4 | 86% | 0.86 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 1.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H513 | H513-A515 PolarHBondContact O-N 3.27Š|
| 516 | E | 39 | Very low | 46 | Very low | 177 Ų | 177 | 109.8 Ų | 109.8 | 83% | 0.827 | 59% | 0.589 | S | S | * | * | trans | -118.3 | 68.3 | 174.1 | -67.1 | -176.6 | 179.4 | 0 | 0 | 108.9 | D514 D518 | D514-E516 VanDerWaalsContact C-N 3.34Å; E516-D518 PolarHBondContact O-N 3.26Å | ||
| 517 | E | 44.5 | Very low | 48.6 | Very low | 129 Ų | 129 | 109.3 Ų | 109.3 | 60% | 0.603 | 59% | 0.585 | S | S | * | * | trans | -64.8 | 119 | 157.2 | -84 | -178.2 | 157.9 | 0 | 0 | 107.7 | E519 K522 | E517-E519 PolarHBondContact O-N 2.87Å; E517-K522 WeakPolarHBondContact OE2-CE 3.27Å; E517-K522 IonicContact OE2-NZ 3.17Å; E517-K522 PolarHBondContact OE2-NZ 2.86Å | ||
| 518 | D | 52.6 | Low | 51.2 | Low | 108 Ų | 108 | 107.7 Ų | 107.7 | 58% | 0.578 | 57% | 0.567 | S | S | * | * | trans | -40.5 | 103.1 | 177 | -80.4 | -36.8 | 0 | 0 | 0 | 112.5 | E516 P520 L521 | E516-D518 PolarHBondContact O-N 3.26Å; D518-P520 HydrophobicContact CB-CG 4.02Å; D518-P520 VanDerWaalsContact O-N 3.09Å; D518-L521 HydrophobicContact CB-CD1 4.09Å; D518-L521 HydrophobicContact CB-CG 4.31Å; D518-L521 PolarHBondContact O-N 3.09Å | ||
| 519 | E | 59.3 | Low | 53.9 | Low | 130 Ų | 130 | 101 Ų | 101 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -38.9 | -40.5 | 167.4 | -78.5 | -63.3 | 151.4 | 0 | 0 | 114.7 | E517 L521 K522 E523 | E517-E519 PolarHBondContact O-N 2.87Å; E519-L521 VanDerWaalsContact C-N 3.29Å; E519-L521 PolarHBondContact O-N 2.91Å; E519-K522 PolarHBondContact O-N 2.81Å; E519-E523 PolarHBondContact O-N 2.91Å; E519-E523 VanDerWaalsContact O-N 3.1Å |
| 520 | P | 61.8 | Low | 56.9 | Low | 90 Ų | 90 | 99.5 Ų | 99.5 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.8 | -29.2 | 178.1 | 22.1 | -34.5 | 0 | 0 | 0 | 114.6 | D518 S524 | D518-P520 HydrophobicContact CB-CG 4.02Å; D518-P520 VanDerWaalsContact O-N 3.09Å; P520-S524 WeakPolarHBondContact O-CB 3.31Å; P520-S524 PolarHBondContact O-N 3.01Å |
| 521 | L | 63.6 | Low | 60 | Low | 98 Ų | 98 | 98.7 Ų | 98.7 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.7 | -37.6 | 178.1 | -74.4 | 170.9 | 0 | 0 | 0 | 111.8 | D518 E519 S524 R525 | D518-L521 HydrophobicContact CB-CD1 4.09Å; D518-L521 HydrophobicContact CB-CG 4.31Å; D518-L521 PolarHBondContact O-N 3.09Å; E519-L521 VanDerWaalsContact C-N 3.29Å; E519-L521 PolarHBondContact O-N 2.91Å; L521-S524 PolarHBondContact O-N 2.82Å; L521-R525 WeakPolarHBondContact O-CG 3.36Å; L521-R525 PolarHBondContact O-N 3.1Å; L521-R525 VanDerWaalsContact O-N 3.09Å |
| 522 | K | 65.5 | Low | 63.2 | Low | 69 Ų | 69 | 95.9 Ų | 95.9 | 30% | 0.3 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 175.2 | -73.6 | 174.2 | 178.2 | 160.8 | 0 | 111 | E517 E519 S524 R525 R526 | E517-K522 WeakPolarHBondContact OE2-CE 3.27Å; E517-K522 IonicContact OE2-NZ 3.17Å; E517-K522 PolarHBondContact OE2-NZ 2.86Å; E519-K522 PolarHBondContact O-N 2.81Å; K522-S524 VanDerWaalsContact C-N 3.34Å; K522-S524 PolarHBondContact O-N 2.79Å; K522-R525 PolarHBondContact O-N 3.03Å; K522-R526 WeakPolarHBondContact O-CG 3.45Å; K522-R526 PolarHBondContact O-N 3.4Å |
| 523 | E | 70.1 | Confident | 66.1 | Low | 73 Ų | 73 | 90.1 Ų | 90.1 | 34% | 0.341 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.2 | -174.2 | 58.8 | -157 | 0 | 0 | 111.8 | E519 R525 R526 K527 | E519-E523 PolarHBondContact O-N 2.91Å; E519-E523 VanDerWaalsContact O-N 3.1Å; E523-R525 PolarHBondContact O-N 3.41Å; E523-R526 PolarHBondContact O-N 3.15Å; E523-K527 WeakPolarHBondContact O-CG 3.35Å; E523-K527 PolarHBondContact O-N 3.37Å; E523-K527 VanDerWaalsContact OE1-CE 3.26Å; E523-K527 WeakPolarHBondContact OE1-CE 3.4Å; E523-K527 IonicContact OE1-NZ 3.63Å |
| 524 | S | 74.4 | Confident | 69 | Low | 58 Ų | 58 | 85.6 Ų | 85.6 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.4 | -166.4 | 0 | 0 | 0 | 0 | 112.4 | P520 L521 K522 K527 E528 | P520-S524 WeakPolarHBondContact O-CB 3.31Å; P520-S524 PolarHBondContact O-N 3.01Å; L521-S524 PolarHBondContact O-N 2.82Å; K522-S524 VanDerWaalsContact C-N 3.34Å; K522-S524 PolarHBondContact O-N 2.79Å; S524-K527 WeakPolarHBondContact O-CB 3.23Å; S524-K527 PolarHBondContact O-N 3.22Å; S524-E528 PolarHBondContact O-N 3.37Å |
| 525 | R | 73.6 | Confident | 72 | Confident | 130 Ų | 130 | 81.8 Ų | 81.8 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.9 | -34.8 | 179.5 | -68.4 | 178.7 | -172.2 | 169.5 | 4.8 | 112.8 | T501 L521 K522 E523 K527 E528 A529 | T501-R525 HydrophobicContact CG2-CB 3.47Å; T501-R525 VanDerWaalsContact CG2-CB 3.47Å; L521-R525 WeakPolarHBondContact O-CG 3.36Å; L521-R525 PolarHBondContact O-N 3.1Å; L521-R525 VanDerWaalsContact O-N 3.09Å; K522-R525 PolarHBondContact O-N 3.03Å; E523-R525 PolarHBondContact O-N 3.41Å; R525-K527 VanDerWaalsContact C-N 3.32Å; R525-E528 PolarHBondContact O-N 3.3Å; R525-A529 PolarHBondContact O-N 3.34Å |
| 526 | R | 77 | Confident | 74.8 | Confident | 109 Ų | 109 | 76.9 Ų | 76.9 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 172.1 | -75.7 | 175.9 | 174.1 | 168.2 | -1.9 | 111.5 | T501 K522 E523 A529 F530 | T501-R526 HydrophobicContact CG2-CG 4.43Å; K522-R526 WeakPolarHBondContact O-CG 3.45Å; K522-R526 PolarHBondContact O-N 3.4Å; E523-R526 PolarHBondContact O-N 3.15Å; R526-A529 PolarHBondContact O-N 3.39Å; R526-F530 WeakPolarHBondContact O-CB 3.5Å; R526-F530 PolarHBondContact O-N 2.91Å |
| 527 | K | 81.4 | Confident | 77.3 | Confident | 105 Ų | 105 | 69 Ų | 69 | 46% | 0.457 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 172.2 | -71.7 | 171.7 | -177.3 | 173.5 | 0 | 112.1 | E523 S524 R525 A529 F530 F531 | E523-K527 WeakPolarHBondContact O-CG 3.35Å; E523-K527 PolarHBondContact O-N 3.37Å; E523-K527 VanDerWaalsContact OE1-CE 3.26Å; E523-K527 WeakPolarHBondContact OE1-CE 3.4Å; E523-K527 IonicContact OE1-NZ 3.63Å; S524-K527 WeakPolarHBondContact O-CB 3.23Å; S524-K527 PolarHBondContact O-N 3.22Å; R525-K527 VanDerWaalsContact C-N 3.32Å; K527-A529 VanDerWaalsContact C-N 3.35Å; K527-A529 PolarHBondContact O-N 3.01Å; K527-F530 WeakPolarHBondContact O-CB 3.45Å; K527-F530 PolarHBondContact O-N 3.27Å; K527-F531 HydrophobicContact CB-CD2 4.49Å; K527-F531 HydrophobicContact CB-CE2 4.15Å; K527-F531 WeakPolarHBondContact O-CD2 3.37Å; K527-F531 WeakPolarHBondContact O-CG 3.43Å; K527-F531 PolarHBondContact O-N 3.26Å |
| 528 | E | 82.9 | Confident | 79.5 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 43% | 0.425 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 174.9 | -73.9 | -179.4 | -178.3 | 0 | 0 | 112.4 | G467 S524 R525 F531 C532 | G467-E528 CarbonylContact O-C 3.51Å; S524-E528 PolarHBondContact O-N 3.37Å; R525-E528 PolarHBondContact O-N 3.3Å; E528-F531 PolarHBondContact O-N 3.37Å; E528-C532 WeakPolarHBondContact O-CB 3.45Å; E528-C532 PolarHBondContact O-N 2.82Å |
| 529 | A | 85.2 | Confident | 81.4 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G467 R525 R526 K527 C532 L533 | G467-A529 PolarHBondContact O-N 3.43Å; R525-A529 PolarHBondContact O-N 3.34Å; R526-A529 PolarHBondContact O-N 3.39Å; K527-A529 VanDerWaalsContact C-N 3.35Å; K527-A529 PolarHBondContact O-N 3.01Å; A529-C532 WeakPolarHBondContact O-CB 3.47Å; A529-C532 PolarHBondContact O-N 2.93Å; A529-L533 PolarHBondContact O-N 2.85Å |
| 530 | F | 88.3 | Confident | 82.8 | Confident | 52 Ų | 52 | 63.2 Ų | 63.2 | 23% | 0.228 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -51.6 | 173.3 | 177.2 | -92.1 | 0 | 0 | 0 | 111.7 | R526 K527 C532 L533 E534 Q564 N565 L568 | R526-F530 WeakPolarHBondContact O-CB 3.5Å; R526-F530 PolarHBondContact O-N 2.91Å; K527-F530 WeakPolarHBondContact O-CB 3.45Å; K527-F530 PolarHBondContact O-N 3.27Å; F530-C532 PolarHBondContact O-N 3.37Å; F530-L533 PolarHBondContact O-N 3.45Å; F530-E534 PolarHBondContact O-N 3.44Å; F530-Q564 HydrophobicContact CD2-CB 3.7Å; F530-Q564 HydrophobicContact CE2-CB 4.03Å; F530-N565 WeakPolarHBondContact CA-OD1 3.25Å; F530-L568 HydrophobicContact CE2-CB 4.07Å; F530-L568 HydrophobicContact CE2-CD2 3.83Å; F530-L568 HydrophobicContact CZ-CD2 3.89Å |
| 531 | F | 89.7 | Confident | 84.3 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.6 | -34 | 176.5 | -67.3 | -47.2 | 0 | 0 | 0 | 112.2 | Y469 K527 E528 E534 F535 | Y469-F531 HydrophobicContact CD2-CB 3.82Å; Y469-F531 WeakPolarHBondContact CD2-O 3.27Å; Y469-F531 HydrophobicContact CE2-CB 4.3Å; Y469-F531 HydrophobicContact CG-CB 3.98Å; K527-F531 HydrophobicContact CB-CD2 4.49Å; K527-F531 HydrophobicContact CB-CE2 4.15Å; K527-F531 WeakPolarHBondContact O-CD2 3.37Å; K527-F531 WeakPolarHBondContact O-CG 3.43Å; K527-F531 PolarHBondContact O-N 3.26Å; E528-F531 PolarHBondContact O-N 3.37Å; F531-E534 WeakPolarHBondContact CD1-OE2 3.47Å; F531-F535 WeakPolarHBondContact O-CB 3.36Å; F531-F535 PolarHBondContact O-N 2.92Å |
| 532 | C | 91.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 173.5 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | E528 A529 F530 L536 | E528-C532 WeakPolarHBondContact O-CB 3.45Å; E528-C532 PolarHBondContact O-N 2.82Å; A529-C532 WeakPolarHBondContact O-CB 3.47Å; A529-C532 PolarHBondContact O-N 2.93Å; F530-C532 PolarHBondContact O-N 3.37Å; C532-L536 VanDerWaalsContact O-CG 3.26Å; C532-L536 WeakPolarHBondContact O-CG 3.25Å; C532-L536 PolarHBondContact O-N 3.3Å |
| 533 | L | 91.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.1 | -46.3 | 179.3 | -177.7 | 137.8 | 0 | 0 | 0 | 111.8 | L493 A496 A497 A529 F530 F535 L536 L537 N565 L568 L569 | L493-L533 HydrophobicContact CD1-CD1 4.23Å; L493-L533 HydrophobicContact CD1-CG 3.98Å; A496-L533 HydrophobicContact CB-CB 4.23Å; A496-L533 HydrophobicContact CB-CD1 4.24Å; A497-L533 HydrophobicContact CB-CD1 3.93Å; A529-L533 PolarHBondContact O-N 2.85Å; F530-L533 PolarHBondContact O-N 3.45Å; L533-F535 VanDerWaalsContact C-N 3.34Å; L533-F535 PolarHBondContact O-N 3.47Å; L533-L536 PolarHBondContact O-N 3.36Å; L533-L537 HydrophobicContact CD2-CD1 3.58Å; L533-L537 HydrophobicContact CG-CD1 4.33Å; L533-L537 WeakPolarHBondContact O-CG 3.48Å; L533-L537 PolarHBondContact O-N 2.88Å; L533-L537 VanDerWaalsContact O-N 3.12Å; L533-N565 HydrophobicContact CD1-CB 4.02Å; L533-L568 HydrophobicContact CD2-CD2 3.63Å; L533-L568 HydrophobicContact CD2-CG 4.25Å; L533-L569 HydrophobicContact CD1-CD1 4.24Å; L533-L569 HydrophobicContact CD1-CG 4.44Å; L533-L569 HydrophobicContact CD2-CD2 4.39Å; L533-L569 HydrophobicContact CD2-CG 4.27Å |
| 534 | E | 92.3 | Very high | 87.1 | Confident | 68 Ų | 68 | 53.8 Ų | 53.8 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.2 | -49.1 | 175 | -176.7 | -179.6 | -141.7 | 0 | 0 | 111 | F530 F531 L536 L537 D538 L568 | F530-E534 PolarHBondContact O-N 3.44Å; F531-E534 WeakPolarHBondContact CD1-OE2 3.47Å; E534-L536 VanDerWaalsContact C-N 3.32Å; E534-L536 PolarHBondContact O-N 2.86Å; E534-L537 WeakPolarHBondContact O-CB 3.46Å; E534-L537 PolarHBondContact O-N 3.16Å; E534-L537 VanDerWaalsContact O-N 3.11Å; E534-D538 PolarHBondContact O-N 3.26Å; E534-L568 HydrophobicContact CB-CD2 3.91Å; E534-L568 HydrophobicContact CG-CD2 4.33Å |
| 535 | F | 93.6 | Very high | 87.7 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 13% | 0.132 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -38 | 178.8 | 178.3 | -96.9 | 0 | 0 | 0 | 113.5 | Y469 V473 V476 F531 L533 L537 N539 | Y469-F535 HydrophobicContact CD2-CB 4.02Å; Y469-F535 HydrophobicContact CD2-CG 4.42Å; Y469-F535 HydrophobicContact CE2-CB 3.7Å; Y469-F535 HydrophobicContact CE2-CD2 4.03Å; Y469-F535 AromaticContact CE2-CG 3.9Å; Y469-F535 HydrophobicContact CE2-CG 3.9Å; V473-F535 HydrophobicContact CB-CE1 4.28Å; V473-F535 HydrophobicContact CB-CZ 4.13Å; V473-F535 HydrophobicContact CG1-CZ 4.26Å; V473-F535 HydrophobicContact CG2-CD1 4.04Å; V473-F535 HydrophobicContact CG2-CD2 3.98Å; V473-F535 HydrophobicContact CG2-CE1 3.9Å; V473-F535 HydrophobicContact CG2-CE2 3.82Å; V473-F535 HydrophobicContact CG2-CG 4.09Å; V473-F535 HydrophobicContact CG2-CZ 3.79Å; V476-F535 HydrophobicContact CB-CE1 3.89Å; V476-F535 HydrophobicContact CB-CZ 4.34Å; V476-F535 HydrophobicContact CG1-CE1 4.14Å; V476-F535 HydrophobicContact CG1-CZ 4.34Å; V476-F535 HydrophobicContact CG2-CE1 4.05Å; F531-F535 WeakPolarHBondContact O-CB 3.36Å; F531-F535 PolarHBondContact O-N 2.92Å; L533-F535 VanDerWaalsContact C-N 3.34Å; L533-F535 PolarHBondContact O-N 3.47Å; F535-L537 VanDerWaalsContact C-N 3.34Å; F535-N539 WeakPolarHBondContact CD2-ND2 3.49Å; F535-N539 WeakPolarHBondContact CE2-ND2 3.49Å; F535-N539 WeakPolarHBondContact CZ-ND2 3.42Å; F535-N539 WeakPolarHBondContact O-CB 3.16Å; F535-N539 PolarHBondContact O-N 3.34Å; F535-N539 VanDerWaalsContact O-N 3.14Å; F535-N539 PolarHBondContact O-ND2 3.36Å |
| 536 | L | 93.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -42.8 | 175.9 | -70.5 | 170.7 | 0 | 0 | 0 | 110.6 | L460 A464 V476 V482 L493 A496 C532 L533 E534 N539 G540 A541 | L460-L536 HydrophobicContact CD1-CD2 4.32Å; L460-L536 HydrophobicContact CD2-CD2 4.35Å; A464-L536 HydrophobicContact CB-CD1 4.33Å; V476-L536 HydrophobicContact CG2-CD2 4.31Å; V482-L536 HydrophobicContact CG1-CB 4.47Å; V482-L536 HydrophobicContact CG1-CD2 4.03Å; L493-L536 HydrophobicContact CD1-CB 4.39Å; A496-L536 HydrophobicContact CB-CD1 3.85Å; C532-L536 VanDerWaalsContact O-CG 3.26Å; C532-L536 WeakPolarHBondContact O-CG 3.25Å; C532-L536 PolarHBondContact O-N 3.3Å; L533-L536 PolarHBondContact O-N 3.36Å; E534-L536 VanDerWaalsContact C-N 3.32Å; E534-L536 PolarHBondContact O-N 2.86Å; L536-N539 CarbonylContact O-C 3.59Å; L536-N539 PolarHBondContact O-N 3.49Å; L536-G540 PolarHBondContact O-N 2.93Å; L536-A541 VanDerWaalsContact C-CB 3.44Å; L536-A541 HydrophobicContact CB-CB 4.02Å; L536-A541 WeakPolarHBondContact O-CB 3.34Å; L536-A541 PolarHBondContact O-N 3.23Å |
| 537 | L | 91.3 | Very high | 88.9 | Confident | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 177.5 | -68.5 | 165.1 | 0 | 0 | 0 | 111.7 | L493 L533 E534 F535 N539 G540 A541 P543 L568 L569 M572 | L493-L537 HydrophobicContact CD1-CD2 3.99Å; L493-L537 HydrophobicContact CD1-CG 3.99Å; L493-L537 HydrophobicContact CD2-CD2 3.77Å; L533-L537 HydrophobicContact CD2-CD1 3.58Å; L533-L537 HydrophobicContact CG-CD1 4.33Å; L533-L537 WeakPolarHBondContact O-CG 3.48Å; L533-L537 PolarHBondContact O-N 2.88Å; L533-L537 VanDerWaalsContact O-N 3.12Å; E534-L537 WeakPolarHBondContact O-CB 3.46Å; E534-L537 PolarHBondContact O-N 3.16Å; E534-L537 VanDerWaalsContact O-N 3.11Å; F535-L537 VanDerWaalsContact C-N 3.34Å; L537-N539 PolarHBondContact O-N 2.88Å; L537-G540 PolarHBondContact O-N 3.37Å; L537-A541 HydrophobicContact CD2-CB 4.42Å; L537-P543 HydrophobicContact CD2-CB 4.35Å; L537-P543 HydrophobicContact CD2-CG 4.39Å; L537-L568 HydrophobicContact CD1-CD2 4.16Å; L537-L568 HydrophobicContact CD1-CG 4.17Å; L537-L569 HydrophobicContact CD1-CD2 4.17Å; L537-L569 HydrophobicContact CD2-CD2 4.45Å; L537-M572 HydrophobicContact CB-CE 4.21Å; L537-M572 HydrophobicContact CB-SD 3.79Å; L537-M572 HydrophobicContact CD1-SD 3.67Å; L537-M572 HydrophobicContact CD2-SD 4.16Å; L537-M572 HydrophobicContact CG-SD 4.07Å |
| 538 | D | 90.9 | Very high | 89.2 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 65% | 0.652 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.5 | -29 | 176.2 | -76.8 | -14.2 | 0 | 0 | 0 | 113.1 | E534 G540 | E534-D538 PolarHBondContact O-N 3.26Å; D538-G540 VanDerWaalsContact C-N 3.34Å |
| 539 | N | 92.4 | Very high | 89.2 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 21.6 | 178.8 | -72.3 | -92.6 | 0 | 0 | 0 | 113.1 | V476 F535 L536 L537 | V476-N539 HydrophobicContact CG1-CB 4.23Å; F535-N539 WeakPolarHBondContact CD2-ND2 3.49Å; F535-N539 WeakPolarHBondContact CE2-ND2 3.49Å; F535-N539 WeakPolarHBondContact CZ-ND2 3.42Å; F535-N539 WeakPolarHBondContact O-CB 3.16Å; F535-N539 PolarHBondContact O-N 3.34Å; F535-N539 VanDerWaalsContact O-N 3.14Å; F535-N539 PolarHBondContact O-ND2 3.36Å; L536-N539 CarbonylContact O-C 3.59Å; L536-N539 PolarHBondContact O-N 3.49Å; L537-N539 PolarHBondContact O-N 2.88Å |
| 540 | G | 88.7 | Confident | 89.2 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 49% | 0.485 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 24.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N483 L536 L537 D538 | N483-G540 PolarHBondContact ND2-O 2.94Å; L536-G540 PolarHBondContact O-N 2.93Å; L537-G540 PolarHBondContact O-N 3.37Å; D538-G540 VanDerWaalsContact C-N 3.34Å |
| 541 | A | 91.6 | Very high | 89.2 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | trans | -65.2 | 133.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V482 N483 L493 L536 L537 P543 | V482-A541 HydrophobicContact CG1-CB 3.54Å; N483-A541 WeakPolarHBondContact OD1-CA 3.27Å; L493-A541 HydrophobicContact CB-CB 4.28Å; L493-A541 HydrophobicContact CD1-CB 4.3Å; L493-A541 HydrophobicContact CD2-CB 4.01Å; L493-A541 HydrophobicContact CG-CB 4.43Å; L536-A541 VanDerWaalsContact C-CB 3.44Å; L536-A541 HydrophobicContact CB-CB 4.02Å; L536-A541 WeakPolarHBondContact O-CB 3.34Å; L536-A541 PolarHBondContact O-N 3.23Å; L537-A541 HydrophobicContact CD2-CB 4.42Å; A541-P543 WeakPolarHBondContact O-CD 3.37Å | ||
| 542 | D | 87.9 | Confident | 89.2 | Confident | 59 Ų | 59 | 49.1 Ų | 49.1 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | trans | -96.3 | 112.2 | -179.1 | 179.5 | 0.8 | 0 | 0 | 0 | 111 | N483 S544 L545 | N483-D542 PolarHBondContact OD1-N 3.41Å; D542-S544 VanDerWaalsContact CG-OG 3.23Å; D542-S544 PolarHBondContact O-N 3.19Å; D542-S544 WeakPolarHBondContact OD1-CA 3.42Å; D542-S544 VanDerWaalsContact OD1-CB 3.26Å; D542-S544 WeakPolarHBondContact OD1-CB 3.28Å; D542-S544 PolarHBondContact OD1-N 3.28Å; D542-S544 PolarHBondContact OD1-OG 3.41Å; D542-S544 PolarHBondContact OD2-OG 2.93Å; D542-L545 HydrophobicContact CB-CD1 4.08Å; D542-L545 HydrophobicContact CB-CG 3.86Å; D542-L545 PolarHBondContact O-N 3.21Å | ||
| 543 | P | 86.5 | Confident | 89.1 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 13% | 0.13 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -14 | 179.2 | 30.6 | -35.2 | 0 | 0 | 0 | 113.7 | L493 L537 A541 L545 L569 | L493-P543 HydrophobicContact CD2-CB 4.07Å; L537-P543 HydrophobicContact CD2-CB 4.35Å; L537-P543 HydrophobicContact CD2-CG 4.39Å; A541-P543 WeakPolarHBondContact O-CD 3.37Å; P543-L545 VanDerWaalsContact C-N 3.34Å; P543-L569 HydrophobicContact CB-CD2 4.18Å |
| 544 | S | 84.3 | Confident | 88.9 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -12.9 | 179.8 | 78.2 | 0 | 0 | 0 | 0 | 113.4 | D542 R546 | D542-S544 VanDerWaalsContact CG-OG 3.23Å; D542-S544 PolarHBondContact O-N 3.19Å; D542-S544 WeakPolarHBondContact OD1-CA 3.42Å; D542-S544 VanDerWaalsContact OD1-CB 3.26Å; D542-S544 WeakPolarHBondContact OD1-CB 3.28Å; D542-S544 PolarHBondContact OD1-N 3.28Å; D542-S544 PolarHBondContact OD1-OG 3.41Å; D542-S544 PolarHBondContact OD2-OG 2.93Å; S544-R546 PolarHBondContact O-N 3.01Å |
| 545 | L | 87.3 | Confident | 88.8 | Confident | 57 Ų | 57 | 46.3 Ų | 46.3 | 30% | 0.298 | 24% | 0.238 | S | C | . | . | trans | -56.3 | 136.4 | 177.1 | -70.8 | 178.7 | 0 | 0 | 0 | 111 | N483 H494 D542 P543 | N483-L545 HydrophobicContact CB-CD1 4.02Å; H494-L545 PolarHBondContact CE1-O 2.89Å; H494-L545 VanDerWaalsContact CE1-O 3.3Å; H494-L545 PolarHBondContact NE2-O 3.37Å; H494-L545 VanDerWaalsContact NE2-O 3.16Å; D542-L545 HydrophobicContact CB-CD1 4.08Å; D542-L545 HydrophobicContact CB-CG 3.86Å; D542-L545 PolarHBondContact O-N 3.21Å; P543-L545 VanDerWaalsContact C-N 3.34Å | ||
| 546 | R | 87.1 | Confident | 88.6 | Confident | 101 Ų | 101 | 47.2 Ų | 47.2 | 38% | 0.381 | 24% | 0.242 | S | C | . | . | trans | -113.8 | 138.4 | -179.5 | -60.8 | -175.7 | -175.8 | -160.6 | 1.1 | 110.4 | S544 Y551 T552 T583 | S544-R546 PolarHBondContact O-N 3.01Å; R546-Y551 WeakPolarHBondContact CA-O 3.45Å; R546-T552 HydrophobicContact CG-CG2 3.91Å; R546-T583 PolarHBondContact NH1-OG1 3.04Å | ||
| 547 | D | 88.7 | Confident | 88.5 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | trans | -70.5 | 179 | 166.8 | 75.1 | 9.9 | 0 | 0 | 0 | 111.6 | Q549 G550 Y551 Y556 | D547-Q549 PolarHBondContact O-N 2.69Å; D547-Q549 VanDerWaalsContact OD1-CA 3.31Å; D547-Q549 WeakPolarHBondContact OD1-CA 3.44Å; D547-Q549 WeakPolarHBondContact OD1-CB 3.14Å; D547-Q549 PolarHBondContact OD1-N 3.23Å; D547-G550 PolarHBondContact O-N 3.44Å; D547-G550 PolarHBondContact OD1-N 2.91Å; D547-Y551 PolarHBondContact N-O 3.17Å; D547-Y551 PolarHBondContact OD1-N 3.14Å; D547-Y556 WeakPolarHBondContact OD2-CE2 3.5Å; D547-Y556 PolarHBondContact OD2-OH 3.2Å | ||
| 548 | R | 87.9 | Confident | 88.4 | Confident | 192 Ų | 192 | 46.7 Ų | 46.7 | 73% | 0.725 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.7 | 179 | -76.7 | -179.9 | -178.5 | -175.4 | 4.7 | 113.7 | C487 K488 | C487-R548 PolarHBondContact O-NE 2.91Å; C487-R548 PolarHBondContact O-NH1 2.82Å; C487-R548 VanDerWaalsContact O-NH1 3.09Å; C487-R548 PolarHBondContact O-NH2 3.38Å; K488-R548 VanDerWaalsContact O-CB 3.29Å; K488-R548 WeakPolarHBondContact O-CB 3.28Å; K488-R548 VanDerWaalsContact O-CG 3.24Å; K488-R548 WeakPolarHBondContact O-CG 3.49Å; K488-R548 PolarHBondContact O-N 3.22Å |
| 549 | Q | 83.4 | Confident | 88.3 | Confident | 102 Ų | 102 | 41.7 Ų | 41.7 | 48% | 0.477 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -7.9 | 175.4 | -70.4 | 73.7 | 32 | 0 | 0 | 112.3 | D547 Y551 | D547-Q549 PolarHBondContact O-N 2.69Å; D547-Q549 VanDerWaalsContact OD1-CA 3.31Å; D547-Q549 WeakPolarHBondContact OD1-CA 3.44Å; D547-Q549 WeakPolarHBondContact OD1-CB 3.14Å; D547-Q549 PolarHBondContact OD1-N 3.23Å; Q549-Y551 HydrophobicContact CB-CD2 3.63Å; Q549-Y551 HydrophobicContact CB-CE2 3.68Å; Q549-Y551 HydrophobicContact CB-CG 4.47Å; Q549-Y551 HydrophobicContact CG-CE2 4.37Å |
| 550 | G | 85.2 | Confident | 88.1 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 16% | 0.155 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 92.2 | 6.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | D547 | D547-G550 PolarHBondContact O-N 3.44Å; D547-G550 PolarHBondContact OD1-N 2.91Å |
| 551 | Y | 87.1 | Confident | 88.1 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 19% | 0.188 | 21% | 0.205 | C | C | . | . | trans | -82.4 | 139.1 | -178.4 | -61.5 | -49.9 | 0 | 0 | 0 | 111.9 | H494 R546 D547 Q549 H555 I584 V586 L591 | H494-Y551 PolarHBondContact NE2-O 3.12Å; R546-Y551 WeakPolarHBondContact CA-O 3.45Å; D547-Y551 PolarHBondContact N-O 3.17Å; D547-Y551 PolarHBondContact OD1-N 3.14Å; Q549-Y551 HydrophobicContact CB-CD2 3.63Å; Q549-Y551 HydrophobicContact CB-CE2 3.68Å; Q549-Y551 HydrophobicContact CB-CG 4.47Å; Q549-Y551 HydrophobicContact CG-CE2 4.37Å; Y551-H555 HydrophobicContact CD1-CB 4.03Å; Y551-H555 AromaticContact CD1-CD2 3.5Å; Y551-H555 VanDerWaalsContact CD1-CD2 3.5Å; Y551-H555 WeakPolarHBondContact CD1-CD2 3.38Å; Y551-H555 AromaticContact CD1-CG 3.77Å; Y551-H555 HydrophobicContact CG-CB 4.27Å; Y551-I584 HydrophobicContact CD1-CG2 4.29Å; Y551-I584 HydrophobicContact CE1-CG2 4.3Å; Y551-V586 HydrophobicContact CE1-CB 4.24Å; Y551-L591 HydrophobicContact CE1-CD1 4.49Å | ||
| 552 | T | 89.8 | Confident | 87.8 | Confident | 20 Ų | 20 | 43 Ų | 43 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | trans | -100 | 171.9 | 175.4 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | R546 V554 H555 Y556 | R546-T552 HydrophobicContact CG-CG2 3.91Å; T552-V554 PolarHBondContact O-N 2.95Å; T552-V554 VanDerWaalsContact O-N 3.14Å; T552-H555 PolarHBondContact N-ND1 2.91Å; T552-H555 VanDerWaalsContact N-ND1 3.2Å; T552-H555 WeakPolarHBondContact O-CB 3.16Å; T552-H555 PolarHBondContact O-N 3.03Å; T552-H555 PolarHBondContact OG1-ND1 3.36Å; T552-Y556 WeakPolarHBondContact O-CD2 3.26Å; T552-Y556 PolarHBondContact O-N 3.43Å | ||
| 553 | A | 89.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -52.8 | -35.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L493 A497 H555 Y556 A557 L569 | L493-A553 HydrophobicContact CD2-CB 4.2Å; L493-A553 HydrophobicContact CG-CB 4.04Å; A497-A553 HydrophobicContact CB-CB 4.01Å; A497-A553 VanDerWaalsContact CB-O 3.32Å; A497-A553 WeakPolarHBondContact CB-O 3.45Å; A553-H555 VanDerWaalsContact C-N 3.31Å; A553-H555 PolarHBondContact O-N 3.19Å; A553-Y556 PolarHBondContact O-N 3.43Å; A553-A557 PolarHBondContact O-N 2.9Å; A553-L569 HydrophobicContact CB-CD1 3.99Å; A553-L569 HydrophobicContact CB-CD2 4.09Å |
| 554 | V | 89.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -39.8 | 175.6 | 178 | 0 | 0 | 0 | 0 | 111.8 | T552 Y556 A557 A558 L566 L569 L570 P588 | T552-V554 PolarHBondContact O-N 2.95Å; T552-V554 VanDerWaalsContact O-N 3.14Å; V554-Y556 VanDerWaalsContact C-N 3.33Å; V554-Y556 PolarHBondContact O-N 3.01Å; V554-A557 PolarHBondContact O-N 3.5Å; V554-A558 WeakPolarHBondContact O-CB 3.19Å; V554-A558 PolarHBondContact O-N 3.49Å; V554-L566 HydrophobicContact CG1-CD1 3.72Å; V554-L569 HydrophobicContact CG2-CB 4.01Å; V554-L570 HydrophobicContact CG1-CD2 4.19Å; V554-P588 HydrophobicContact CG1-CB 4.17Å; V554-P588 HydrophobicContact CG1-CG 3.94Å |
| 555 | H | 88.9 | Confident | 88 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 177.8 | -66.6 | 80.6 | 0 | 0 | 0 | 111.4 | Y551 T552 A553 A559 V586 P588 L591 | Y551-H555 HydrophobicContact CD1-CB 4.03Å; Y551-H555 AromaticContact CD1-CD2 3.5Å; Y551-H555 VanDerWaalsContact CD1-CD2 3.5Å; Y551-H555 WeakPolarHBondContact CD1-CD2 3.38Å; Y551-H555 AromaticContact CD1-CG 3.77Å; Y551-H555 HydrophobicContact CG-CB 4.27Å; T552-H555 PolarHBondContact N-ND1 2.91Å; T552-H555 VanDerWaalsContact N-ND1 3.2Å; T552-H555 WeakPolarHBondContact O-CB 3.16Å; T552-H555 PolarHBondContact O-N 3.03Å; T552-H555 PolarHBondContact OG1-ND1 3.36Å; A553-H555 VanDerWaalsContact C-N 3.31Å; A553-H555 PolarHBondContact O-N 3.19Å; H555-A559 VanDerWaalsContact O-CB 3.25Å; H555-A559 WeakPolarHBondContact O-CB 3.07Å; H555-A559 PolarHBondContact O-N 2.71Å; H555-V586 PolarHBondContact NE2-O 3.2Å; H555-P588 WeakPolarHBondContact NE2-CD 3.44Å; H555-L591 HydrophobicContact CB-CD1 3.91Å |
| 556 | Y | 89.8 | Confident | 88 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.2 | -45.4 | 176 | -77.8 | -99.8 | 0 | 0 | 0 | 111 | C490 H494 A498 D547 T552 A553 V554 A558 A559 Y560 | C490-Y556 PolarHBondContact SG-OH 3.44Å; H494-Y556 HydrophobicContact CB-CD2 4.29Å; H494-Y556 HydrophobicContact CB-CE2 4.42Å; H494-Y556 HydrophobicContact CB-CG 4.45Å; H494-Y556 AromaticContact CD2-CD2 3.67Å; H494-Y556 AromaticContact CD2-CE2 3.65Å; A498-Y556 HydrophobicContact CB-CD1 4.03Å; D547-Y556 WeakPolarHBondContact OD2-CE2 3.5Å; D547-Y556 PolarHBondContact OD2-OH 3.2Å; T552-Y556 WeakPolarHBondContact O-CD2 3.26Å; T552-Y556 PolarHBondContact O-N 3.43Å; A553-Y556 PolarHBondContact O-N 3.43Å; V554-Y556 VanDerWaalsContact C-N 3.33Å; V554-Y556 PolarHBondContact O-N 3.01Å; Y556-A558 VanDerWaalsContact C-N 3.33Å; Y556-A558 PolarHBondContact O-N 3.42Å; Y556-A559 PolarHBondContact O-N 3.41Å; Y556-Y560 HydrophobicContact CD1-CE2 4.5Å; Y556-Y560 VanDerWaalsContact O-CD2 3.31Å; Y556-Y560 WeakPolarHBondContact O-CD2 3.3Å; Y556-Y560 PolarHBondContact O-N 3.23Å; Y556-Y560 VanDerWaalsContact O-N 3.13Å |
| 557 | A | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.7 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A497 A553 V554 Y560 G561 N562 L566 L569 | A497-A557 HydrophobicContact CB-CB 4.21Å; A497-A557 WeakPolarHBondContact O-CA 3.26Å; A553-A557 PolarHBondContact O-N 2.9Å; V554-A557 PolarHBondContact O-N 3.5Å; A557-Y560 PolarHBondContact O-N 3.08Å; A557-G561 PolarHBondContact O-N 3.31Å; A557-N562 PolarHBondContact O-N 2.94Å; A557-N562 VanDerWaalsContact O-N 3.12Å; A557-L566 HydrophobicContact CB-CB 4.12Å; A557-L566 HydrophobicContact CB-CD1 4.15Å; A557-L569 HydrophobicContact CB-CD1 3.98Å |
| 558 | A | 89.4 | Confident | 88 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V554 Y556 Y560 G561 P588 A592 L604 | V554-A558 WeakPolarHBondContact O-CB 3.19Å; V554-A558 PolarHBondContact O-N 3.49Å; Y556-A558 VanDerWaalsContact C-N 3.33Å; Y556-A558 PolarHBondContact O-N 3.42Å; A558-Y560 VanDerWaalsContact C-N 3.3Å; A558-Y560 PolarHBondContact O-N 3.3Å; A558-G561 PolarHBondContact O-N 3.2Å; A558-P588 HydrophobicContact CB-CB 3.78Å; A558-A592 HydrophobicContact CB-CB 4.35Å; A558-A592 WeakPolarHBondContact O-CA 3.37Å; A558-L604 HydrophobicContact CB-CD1 3.95Å |
| 559 | A | 89.8 | Confident | 88 | Confident | 17 Ų | 17 | 31.7 Ų | 31.7 | 14% | 0.14 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.3 | -29.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H555 Y556 L591 N595 H597 | H555-A559 VanDerWaalsContact O-CB 3.25Å; H555-A559 WeakPolarHBondContact O-CB 3.07Å; H555-A559 PolarHBondContact O-N 2.71Å; Y556-A559 PolarHBondContact O-N 3.41Å; A559-L591 HydrophobicContact CB-CB 4.11Å; A559-L591 HydrophobicContact CB-CD1 4.32Å; A559-N595 PolarHBondContact O-ND2 3.32Å; A559-H597 PolarHBondContact O-CD2 2.96Å; A559-H597 PolarHBondContact O-NE2 2.95Å; A559-H597 VanDerWaalsContact O-NE2 3.13Å |
| 560 | Y | 88.8 | Confident | 88.1 | Confident | 121 Ų | 121 | 27 Ų | 27 | 48% | 0.475 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -102.8 | -3 | 179.8 | -72.9 | -91 | 0 | 0 | 0 | 113.7 | A498 Y556 A557 A558 | A498-Y560 HydrophobicContact CB-CD2 3.56Å; A498-Y560 HydrophobicContact CB-CE2 3.58Å; A498-Y560 HydrophobicContact CB-CG 4.23Å; Y556-Y560 HydrophobicContact CD1-CE2 4.5Å; Y556-Y560 VanDerWaalsContact O-CD2 3.31Å; Y556-Y560 WeakPolarHBondContact O-CD2 3.3Å; Y556-Y560 PolarHBondContact O-N 3.23Å; Y556-Y560 VanDerWaalsContact O-N 3.13Å; A557-Y560 PolarHBondContact O-N 3.08Å; A558-Y560 VanDerWaalsContact C-N 3.3Å; A558-Y560 PolarHBondContact O-N 3.3Å |
| 561 | G | 87.2 | Confident | 87.9 | Confident | 21 Ų | 21 | 33.2 Ų | 33.2 | 22% | 0.216 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 20.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A557 A558 R563 H597 | A557-G561 PolarHBondContact O-N 3.31Å; A558-G561 PolarHBondContact O-N 3.2Å; G561-R563 PolarHBondContact O-N 3.11Å; G561-H597 VanDerWaalsContact CA-CG 3.42Å; G561-H597 PolarHBondContact N-CD2 2.95Å |
| 562 | N | 85.8 | Confident | 87.4 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.08 | 17% | 0.171 | C | C | . | . | trans | -79.1 | 85.5 | -177.3 | -69.4 | -35.8 | 0 | 0 | 0 | 111.4 | A497 A557 Q564 N565 L566 | A497-N562 PolarHBondContact O-ND2 3.22Å; A557-N562 PolarHBondContact O-N 2.94Å; A557-N562 VanDerWaalsContact O-N 3.12Å; N562-Q564 PolarHBondContact O-N 2.83Å; N562-N565 HydrophobicContact CB-CB 3.97Å; N562-N565 PolarHBondContact O-N 2.98Å; N562-L566 VanDerWaalsContact O-CB 3.26Å; N562-L566 WeakPolarHBondContact O-CB 3.34Å; N562-L566 PolarHBondContact O-N 3.5Å | ||
| 563 | R | 87.1 | Confident | 86.3 | Confident | 75 Ų | 75 | 35 Ų | 35 | 28% | 0.283 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -53.7 | -52.6 | -174.5 | -173.7 | -176.6 | 54.2 | 74.5 | 1.9 | 113.7 | G561 N565 L566 E567 T603 | G561-R563 PolarHBondContact O-N 3.11Å; R563-N565 PolarHBondContact O-N 3.06Å; R563-L566 WeakPolarHBondContact O-CB 3.32Å; R563-L566 PolarHBondContact O-N 2.71Å; R563-L566 VanDerWaalsContact O-N 3.16Å; R563-E567 WeakPolarHBondContact CG-OE1 3.24Å; R563-E567 IonicContact CZ-OE1 2.7Å; R563-E567 IonicContact NH1-OE1 2.77Å; R563-E567 PolarHBondContact NH1-OE1 3.05Å; R563-E567 IonicContact NH1-OE2 3.15Å; R563-E567 PolarHBondContact NH1-OE2 3.38Å; R563-E567 WeakPolarHBondContact O-CG 3.33Å; R563-E567 PolarHBondContact O-N 2.7Å; R563-T603 HydrophobicContact CG-CG2 3.66Å |
| 564 | Q | 86.4 | Confident | 84.8 | Confident | 67 Ų | 67 | 41 Ų | 41 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.9 | -40.6 | -175.9 | -63.2 | 87.3 | -21.9 | 0 | 0 | 112.2 | F530 N562 L566 E567 L568 | F530-Q564 HydrophobicContact CD2-CB 3.7Å; F530-Q564 HydrophobicContact CE2-CB 4.03Å; N562-Q564 PolarHBondContact O-N 2.83Å; Q564-L566 VanDerWaalsContact C-N 3.27Å; Q564-L566 PolarHBondContact O-N 3.03Å; Q564-E567 PolarHBondContact O-N 3.14Å; Q564-L568 PolarHBondContact O-N 3.39Å; Q564-L568 VanDerWaalsContact O-N 3.1Å |
| 565 | N | 88.4 | Confident | 83 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 175.1 | -70.4 | -2.2 | 0 | 0 | 0 | 110.9 | A496 F530 L533 N562 R563 L569 | A496-N565 PolarHBondContact O-ND2 3.5Å; F530-N565 WeakPolarHBondContact CA-OD1 3.25Å; L533-N565 HydrophobicContact CD1-CB 4.02Å; N562-N565 HydrophobicContact CB-CB 3.97Å; N562-N565 PolarHBondContact O-N 2.98Å; R563-N565 PolarHBondContact O-N 3.06Å; N565-L569 VanDerWaalsContact O-CB 3.3Å; N565-L569 WeakPolarHBondContact O-CB 3.42Å; N565-L569 WeakPolarHBondContact O-CD1 3.41Å; N565-L569 WeakPolarHBondContact O-CG 3.33Å; N565-L569 PolarHBondContact O-N 3.13Å |
| 566 | L | 88.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 178 | -176.8 | 59.3 | 0 | 0 | 0 | 111.6 | V554 A557 N562 R563 Q564 L569 L570 A600 T603 L604 | V554-L566 HydrophobicContact CG1-CD1 3.72Å; A557-L566 HydrophobicContact CB-CB 4.12Å; A557-L566 HydrophobicContact CB-CD1 4.15Å; N562-L566 VanDerWaalsContact O-CB 3.26Å; N562-L566 WeakPolarHBondContact O-CB 3.34Å; N562-L566 PolarHBondContact O-N 3.5Å; R563-L566 WeakPolarHBondContact O-CB 3.32Å; R563-L566 PolarHBondContact O-N 2.71Å; R563-L566 VanDerWaalsContact O-N 3.16Å; Q564-L566 VanDerWaalsContact C-N 3.27Å; Q564-L566 PolarHBondContact O-N 3.03Å; L566-L569 PolarHBondContact O-N 2.91Å; L566-L570 HydrophobicContact CD1-CD1 4.2Å; L566-L570 HydrophobicContact CD1-CG 4.24Å; L566-L570 HydrophobicContact CG-CD1 4.03Å; L566-L570 HydrophobicContact CG-CG 4.5Å; L566-L570 WeakPolarHBondContact O-CB 3.41Å; L566-L570 WeakPolarHBondContact O-CG 3.3Å; L566-L570 PolarHBondContact O-N 3.31Å; L566-A600 HydrophobicContact CD2-CB 3.82Å; L566-T603 WeakPolarHBondContact CD2-OG1 3.41Å; L566-L604 HydrophobicContact CD1-CD2 4.22Å; L566-L604 HydrophobicContact CD2-CD1 4.23Å; L566-L604 HydrophobicContact CD2-CD2 4.3Å; L566-L604 HydrophobicContact CD2-CG 3.96Å |
| 567 | E | 88.1 | Confident | 79.4 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.2 | -52.3 | 174.5 | -74.1 | 165.9 | -177.1 | 0 | 0 | 111.2 | R563 Q564 L569 L570 E571 T603 | R563-E567 WeakPolarHBondContact CG-OE1 3.24Å; R563-E567 IonicContact CZ-OE1 2.7Å; R563-E567 IonicContact NH1-OE1 2.77Å; R563-E567 PolarHBondContact NH1-OE1 3.05Å; R563-E567 IonicContact NH1-OE2 3.15Å; R563-E567 PolarHBondContact NH1-OE2 3.38Å; R563-E567 WeakPolarHBondContact O-CG 3.33Å; R563-E567 PolarHBondContact O-N 2.7Å; Q564-E567 PolarHBondContact O-N 3.14Å; E567-L569 PolarHBondContact O-N 2.76Å; E567-L570 PolarHBondContact O-N 2.72Å; E567-E571 WeakPolarHBondContact O-CG 3.49Å; E567-E571 PolarHBondContact O-N 2.96Å; E567-T603 HydrophobicContact CG-CG2 4.07Å; E567-T603 WeakPolarHBondContact OE1-CG2 3.45Å |
| 568 | L | 88 | Confident | 77.4 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 179 | 178.4 | 60 | 0 | 0 | 0 | 112.4 | F530 L533 E534 L537 Q564 L570 E571 M572 | F530-L568 HydrophobicContact CE2-CB 4.07Å; F530-L568 HydrophobicContact CE2-CD2 3.83Å; F530-L568 HydrophobicContact CZ-CD2 3.89Å; L533-L568 HydrophobicContact CD2-CD2 3.63Å; L533-L568 HydrophobicContact CD2-CG 4.25Å; E534-L568 HydrophobicContact CB-CD2 3.91Å; E534-L568 HydrophobicContact CG-CD2 4.33Å; L537-L568 HydrophobicContact CD1-CD2 4.16Å; L537-L568 HydrophobicContact CD1-CG 4.17Å; Q564-L568 PolarHBondContact O-N 3.39Å; Q564-L568 VanDerWaalsContact O-N 3.1Å; L568-L570 VanDerWaalsContact C-N 3.33Å; L568-L570 PolarHBondContact O-N 3.42Å; L568-E571 PolarHBondContact O-N 3.44Å; L568-M572 PolarHBondContact O-N 3.06Å |
| 569 | L | 87.7 | Confident | 75.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 177.1 | -74.4 | 169.9 | 0 | 0 | 0 | 111.4 | L493 A497 L533 L537 P543 A553 V554 A557 N565 L566 E567 M572 S573 | L493-L569 HydrophobicContact CD2-CD2 4.49Å; A497-L569 HydrophobicContact CB-CD1 3.93Å; L533-L569 HydrophobicContact CD1-CD1 4.24Å; L533-L569 HydrophobicContact CD1-CG 4.44Å; L533-L569 HydrophobicContact CD2-CD2 4.39Å; L533-L569 HydrophobicContact CD2-CG 4.27Å; L537-L569 HydrophobicContact CD1-CD2 4.17Å; L537-L569 HydrophobicContact CD2-CD2 4.45Å; P543-L569 HydrophobicContact CB-CD2 4.18Å; A553-L569 HydrophobicContact CB-CD1 3.99Å; A553-L569 HydrophobicContact CB-CD2 4.09Å; V554-L569 HydrophobicContact CG2-CB 4.01Å; A557-L569 HydrophobicContact CB-CD1 3.98Å; N565-L569 VanDerWaalsContact O-CB 3.3Å; N565-L569 WeakPolarHBondContact O-CB 3.42Å; N565-L569 WeakPolarHBondContact O-CD1 3.41Å; N565-L569 WeakPolarHBondContact O-CG 3.33Å; N565-L569 PolarHBondContact O-N 3.13Å; L566-L569 PolarHBondContact O-N 2.91Å; E567-L569 PolarHBondContact O-N 2.76Å; L569-M572 PolarHBondContact O-N 3.1Å; L569-S573 WeakPolarHBondContact O-CB 3.39Å; L569-S573 PolarHBondContact O-N 3.4Å; L569-S573 PolarHBondContact O-OG 3.44Å |
| 570 | L | 84.4 | Confident | 73.4 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 178.1 | -71.5 | 170.1 | 0 | 0 | 0 | 111.3 | V554 L566 E567 L568 M572 S573 F574 L577 L604 T607 | V554-L570 HydrophobicContact CG1-CD2 4.19Å; L566-L570 HydrophobicContact CD1-CD1 4.2Å; L566-L570 HydrophobicContact CD1-CG 4.24Å; L566-L570 HydrophobicContact CG-CD1 4.03Å; L566-L570 HydrophobicContact CG-CG 4.5Å; L566-L570 WeakPolarHBondContact O-CB 3.41Å; L566-L570 WeakPolarHBondContact O-CG 3.3Å; L566-L570 PolarHBondContact O-N 3.31Å; E567-L570 PolarHBondContact O-N 2.72Å; L568-L570 VanDerWaalsContact C-N 3.33Å; L568-L570 PolarHBondContact O-N 3.42Å; L570-M572 VanDerWaalsContact C-N 3.3Å; L570-M572 PolarHBondContact O-N 3.14Å; L570-S573 PolarHBondContact O-N 3.23Å; L570-F574 VanDerWaalsContact O-CD2 3.23Å; L570-F574 WeakPolarHBondContact O-CD2 3.35Å; L570-F574 PolarHBondContact O-N 3.2Å; L570-F574 VanDerWaalsContact O-N 3.1Å; L570-L577 HydrophobicContact CD2-CD1 3.81Å; L570-L604 HydrophobicContact CD1-CD2 4.2Å; L570-L604 HydrophobicContact CD2-CD2 4.45Å; L570-T607 HydrophobicContact CD1-CG2 4.28Å |
| 571 | E | 82.1 | Confident | 71.5 | Confident | 145 Ų | 145 | 67.3 Ų | 67.3 | 68% | 0.678 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -55.5 | -44.2 | 174.6 | -73.7 | -177.7 | 175.6 | 0 | 0 | 112.1 | E567 L568 | E567-E571 WeakPolarHBondContact O-CG 3.49Å; E567-E571 PolarHBondContact O-N 2.96Å; L568-E571 PolarHBondContact O-N 3.44Å |
| 572 | M | 76.1 | Confident | 69.8 | Low | 100 Ų | 100 | 71.5 Ų | 71.5 | 49% | 0.493 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -80.5 | -21.1 | -179.2 | -65.2 | -164 | 73.2 | 0 | 0 | 114.1 | L537 L568 L569 L570 | L537-M572 HydrophobicContact CB-CE 4.21Å; L537-M572 HydrophobicContact CB-SD 3.79Å; L537-M572 HydrophobicContact CD1-SD 3.67Å; L537-M572 HydrophobicContact CD2-SD 4.16Å; L537-M572 HydrophobicContact CG-SD 4.07Å; L568-M572 PolarHBondContact O-N 3.06Å; L569-M572 PolarHBondContact O-N 3.1Å; L570-M572 VanDerWaalsContact C-N 3.3Å; L570-M572 PolarHBondContact O-N 3.14Å |
| 573 | S | 68.1 | Low | 68.2 | Low | 6 Ų | 6 | 75.6 Ų | 75.6 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -109 | 11.2 | -173.7 | 67 | 0 | 0 | 0 | 0 | 114.8 | L569 L570 N575 C576 | L569-S573 WeakPolarHBondContact O-CB 3.39Å; L569-S573 PolarHBondContact O-N 3.4Å; L569-S573 PolarHBondContact O-OG 3.44Å; L570-S573 PolarHBondContact O-N 3.23Å; S573-N575 PolarHBondContact O-N 3.1Å; S573-C576 WeakPolarHBondContact O-CB 3.2Å; S573-C576 PolarHBondContact O-N 3.22Å |
| 574 | F | 57.1 | Low | 67 | Low | 126 Ų | 126 | 73.4 Ų | 73.4 | 55% | 0.553 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -28.5 | -178.9 | -118.7 | -83.3 | 0 | 0 | 0 | 114.3 | L570 | L570-F574 VanDerWaalsContact O-CD2 3.23Å; L570-F574 WeakPolarHBondContact O-CD2 3.35Å; L570-F574 PolarHBondContact O-N 3.2Å; L570-F574 VanDerWaalsContact O-N 3.1Å |
| 575 | N | 50.9 | Low | 66 | Low | 156 Ų | 156 | 72.5 Ų | 72.5 | 83% | 0.834 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.5 | 176.9 | -68.1 | -22.4 | 0 | 0 | 0 | 114.8 | S573 | S573-N575 PolarHBondContact O-N 3.1Š|
| 576 | C | 49.1 | Very low | 65.7 | Low | 55 Ų | 55 | 73.2 Ų | 73.2 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -9.9 | -173 | -67.1 | 0 | 0 | 0 | 0 | 114.5 | S573 | S573-C576 WeakPolarHBondContact O-CB 3.2Å; S573-C576 PolarHBondContact O-N 3.22Å |
| 577 | L | 53.1 | Low | 65.6 | Low | 48 Ų | 48 | 74 Ų | 74 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -78.1 | -21.1 | -179.3 | -75.3 | 162.6 | 0 | 0 | 0 | 113.1 | L570 D579 V580 | L570-L577 HydrophobicContact CD2-CD1 3.81Å; L577-D579 VanDerWaalsContact C-N 3.32Å; L577-D579 PolarHBondContact O-N 3Å; L577-V580 HydrophobicContact CD2-CG2 4.42Å; L577-V580 WeakPolarHBondContact O-CB 3.23Å; L577-V580 WeakPolarHBondContact O-CG2 3.49Å; L577-V580 PolarHBondContact O-N 3.41Å |
| 578 | E | 49.3 | Very low | 65.6 | Low | 171 Ų | 171 | 71 Ų | 71 | 80% | 0.799 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -24.7 | -178.2 | -65.8 | -172.9 | 160.1 | 0 | 0 | 113.4 | ||
| 579 | D | 45.5 | Very low | 65.6 | Low | 128 Ų | 128 | 69.7 Ų | 69.7 | 68% | 0.684 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.3 | -178.3 | -87.2 | -21.4 | 0 | 0 | 0 | 114.2 | L577 E581 | L577-D579 VanDerWaalsContact C-N 3.32Å; L577-D579 PolarHBondContact O-N 3Å; D579-E581 VanDerWaalsContact C-N 3.31Å; D579-E581 PolarHBondContact O-N 3.2Å |
| 580 | V | 50 | Low | 65.7 | Low | 29 Ų | 29 | 69.8 Ų | 69.8 | 18% | 0.176 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -17.2 | -169.3 | 170.9 | 0 | 0 | 0 | 0 | 113.6 | L577 S582 I584 | L577-V580 HydrophobicContact CD2-CG2 4.42Å; L577-V580 WeakPolarHBondContact O-CB 3.23Å; L577-V580 WeakPolarHBondContact O-CG2 3.49Å; L577-V580 PolarHBondContact O-N 3.41Å; V580-S582 PolarHBondContact O-N 3.33Å; V580-I584 HydrophobicContact CG1-CD1 4.22Å |
| 581 | E | 49.6 | Very low | 66 | Low | 162 Ų | 162 | 71.1 Ų | 71.1 | 76% | 0.757 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -13.3 | -162.8 | -61.4 | -170.6 | 153.4 | 0 | 0 | 115.6 | D579 | D579-E581 VanDerWaalsContact C-N 3.31Å; D579-E581 PolarHBondContact O-N 3.2Å |
| 582 | S | 50.5 | Low | 66.4 | Low | 109 Ų | 109 | 64.2 Ų | 64.2 | 76% | 0.762 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -14.4 | -168.1 | 69.5 | 0 | 0 | 0 | 0 | 116.9 | V580 | V580-S582 PolarHBondContact O-N 3.33Š|
| 583 | T | 52.4 | Low | 67.2 | Low | 101 Ų | 101 | 59.4 Ų | 59.4 | 62% | 0.62 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | -12.3 | -170.8 | 53.8 | 0 | 0 | 0 | 0 | 116.5 | R546 | R546-T583 PolarHBondContact NH1-OG1 3.04Š|
| 584 | I | 61.3 | Low | 68.2 | Low | 28 Ų | 28 | 63.6 Ų | 63.6 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | trans | -99.9 | 133.9 | -173.7 | -51.3 | -175.8 | 0 | 0 | 0 | 110.3 | Y551 V580 V586 | Y551-I584 HydrophobicContact CD1-CG2 4.29Å; Y551-I584 HydrophobicContact CE1-CG2 4.3Å; V580-I584 HydrophobicContact CG1-CD1 4.22Å; I584-V586 WeakPolarHBondContact CG2-O 3.24Å; I584-V586 PolarHBondContact O-N 3.25Å | ||
| 585 | P | 65.8 | Low | 69.8 | Low | 48 Ų | 48 | 61 Ų | 61 | 31% | 0.312 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -72.5 | -24.7 | -174.2 | 26.5 | -34.1 | 0 | 0 | 0 | 114.7 | H616 | P585-H616 PolarHBondContact O-N 3.45Š|
| 586 | V | 81.6 | Confident | 71.6 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -149.8 | 128.8 | -173.1 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | Y551 H555 I584 H590 L591 | Y551-V586 HydrophobicContact CE1-CB 4.24Å; H555-V586 PolarHBondContact NE2-O 3.2Å; I584-V586 WeakPolarHBondContact CG2-O 3.24Å; I584-V586 PolarHBondContact O-N 3.25Å; V586-H590 HydrophobicContact CG1-CB 3.44Å; V586-H590 VanDerWaalsContact CG1-CB 3.44Å; V586-L591 HydrophobicContact CG1-CD2 4.06Å; V586-L591 HydrophobicContact CG1-CG 4.07Å |
| 587 | S | 86.4 | Confident | 73.6 | Confident | 16 Ų | 16 | 55 Ų | 55 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | trans | -81 | 162 | 178.2 | 78.5 | 0 | 0 | 0 | 0 | 112.9 | L589 H590 L591 | S587-L589 PolarHBondContact O-N 2.98Å; S587-H590 PolarHBondContact N-ND1 3.13Å; S587-H590 WeakPolarHBondContact O-CB 3.46Å; S587-H590 PolarHBondContact O-N 3.31Å; S587-H590 VanDerWaalsContact O-N 3.08Å; S587-H590 PolarHBondContact OG-ND1 2.82Å; S587-L591 PolarHBondContact O-N 3.16Å | ||
| 588 | P | 88.3 | Confident | 75.3 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57 | -35.3 | 177.2 | -22.9 | 33.5 | 0 | 0 | 0 | 112.8 | V554 H555 A558 H590 L591 A592 L604 | V554-P588 HydrophobicContact CG1-CB 4.17Å; V554-P588 HydrophobicContact CG1-CG 3.94Å; H555-P588 WeakPolarHBondContact NE2-CD 3.44Å; A558-P588 HydrophobicContact CB-CB 3.78Å; P588-H590 VanDerWaalsContact C-N 3.32Å; P588-H590 PolarHBondContact O-N 3.11Å; P588-L591 PolarHBondContact O-N 2.88Å; P588-L591 VanDerWaalsContact O-N 3.13Å; P588-A592 PolarHBondContact O-N 3.33Å; P588-L604 HydrophobicContact CB-CD1 4.16Å; P588-L604 HydrophobicContact CB-CD2 4.4Å |
| 589 | L | 89.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 177 | -166.7 | 76.3 | 0 | 0 | 0 | 112 | S587 L591 A593 L601 L604 L608 L611 A621 L637 | S587-L589 PolarHBondContact O-N 2.98Å; L589-L591 VanDerWaalsContact C-N 3.34Å; L589-L591 PolarHBondContact O-N 3.06Å; L589-A593 VanDerWaalsContact O-CB 3.3Å; L589-A593 WeakPolarHBondContact O-CB 3.41Å; L589-A593 PolarHBondContact O-N 3.21Å; L589-L601 HydrophobicContact CD1-CD1 3.48Å; L589-L601 VanDerWaalsContact CD1-CD1 3.48Å; L589-L601 HydrophobicContact CD1-CG 4.43Å; L589-L601 HydrophobicContact CG-CD1 4.01Å; L589-L604 HydrophobicContact CD1-CB 3.86Å; L589-L608 HydrophobicContact CB-CD1 4.21Å; L589-L608 HydrophobicContact CD1-CD1 4.13Å; L589-L611 HydrophobicContact CD1-CD2 4.42Å; L589-L611 HydrophobicContact CD2-CB 4.37Å; L589-L611 HydrophobicContact CD2-CD2 4.11Å; L589-A621 HydrophobicContact CB-CB 4.38Å; L589-A621 HydrophobicContact CD2-CB 3.65Å; L589-A621 HydrophobicContact CG-CB 3.61Å; L589-L637 HydrophobicContact CD1-CD2 4.44Å |
| 590 | H | 89.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -37 | 176.9 | -68.7 | 93.7 | 0 | 0 | 0 | 112.3 | V586 S587 P588 Y594 V613 D615 R619 L624 | V586-H590 HydrophobicContact CG1-CB 3.44Å; V586-H590 VanDerWaalsContact CG1-CB 3.44Å; S587-H590 PolarHBondContact N-ND1 3.13Å; S587-H590 WeakPolarHBondContact O-CB 3.46Å; S587-H590 PolarHBondContact O-N 3.31Å; S587-H590 VanDerWaalsContact O-N 3.08Å; S587-H590 PolarHBondContact OG-ND1 2.82Å; P588-H590 VanDerWaalsContact C-N 3.32Å; P588-H590 PolarHBondContact O-N 3.11Å; H590-Y594 WeakPolarHBondContact O-CB 3.09Å; H590-Y594 PolarHBondContact O-N 3.4Å; H590-V613 PolarHBondContact CE1-O 2.77Å; H590-V613 PolarHBondContact NE2-O 2.97Å; H590-V613 VanDerWaalsContact NE2-O 3.13Å; H590-D615 PolarHBondContact NE2-N 2.99Å; H590-R619 PolarHBondContact NE2-O 2.93Å; H590-L624 HydrophobicContact CB-CD1 3.71Å |
| 591 | L | 89.8 | Confident | 81.1 | Confident | 33 Ų | 33 | 43 Ų | 43 | 17% | 0.173 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.5 | -44.9 | -179.9 | -65.3 | 173 | 0 | 0 | 0 | 111.3 | Y551 H555 A559 V586 S587 P588 L589 Y594 N595 | Y551-L591 HydrophobicContact CE1-CD1 4.49Å; H555-L591 HydrophobicContact CB-CD1 3.91Å; A559-L591 HydrophobicContact CB-CB 4.11Å; A559-L591 HydrophobicContact CB-CD1 4.32Å; V586-L591 HydrophobicContact CG1-CD2 4.06Å; V586-L591 HydrophobicContact CG1-CG 4.07Å; S587-L591 PolarHBondContact O-N 3.16Å; P588-L591 PolarHBondContact O-N 2.88Å; P588-L591 VanDerWaalsContact O-N 3.13Å; L589-L591 VanDerWaalsContact C-N 3.34Å; L589-L591 PolarHBondContact O-N 3.06Å; L591-Y594 PolarHBondContact O-N 3.21Å; L591-N595 PolarHBondContact O-N 3.05Å; L591-N595 VanDerWaalsContact O-N 3.11Å |
| 592 | A | 91.3 | Very high | 83 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A558 P588 N595 G596 H597 L601 L604 | A558-A592 HydrophobicContact CB-CB 4.35Å; A558-A592 WeakPolarHBondContact O-CA 3.37Å; P588-A592 PolarHBondContact O-N 3.33Å; A592-N595 PolarHBondContact O-N 2.91Å; A592-G596 PolarHBondContact O-N 3.01Å; A592-H597 PolarHBondContact O-N 3.34Å; A592-L601 HydrophobicContact CB-CB 4.27Å; A592-L601 HydrophobicContact CB-CD1 3.97Å; A592-L604 HydrophobicContact CB-CD1 4.13Å |
| 593 | A | 91.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.3 | -39.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L589 G596 L601 A621 A625 | L589-A593 VanDerWaalsContact O-CB 3.3Å; L589-A593 WeakPolarHBondContact O-CB 3.41Å; L589-A593 PolarHBondContact O-N 3.21Å; A593-G596 PolarHBondContact O-N 3.37Å; A593-L601 HydrophobicContact CB-CD1 4.07Å; A593-A621 HydrophobicContact CB-CB 3.91Å; A593-A621 WeakPolarHBondContact CB-O 3.38Å; A593-A625 HydrophobicContact CB-CB 4.18Å |
| 594 | Y | 90.4 | Very high | 86.5 | Confident | 94 Ų | 94 | 30 Ų | 30 | 37% | 0.369 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -68.3 | -34.1 | 179.7 | -178.6 | -95.8 | 0 | 0 | 0 | 113.5 | H590 L591 L624 R628 | H590-Y594 WeakPolarHBondContact O-CB 3.09Å; H590-Y594 PolarHBondContact O-N 3.4Å; L591-Y594 PolarHBondContact O-N 3.21Å; Y594-L624 HydrophobicContact CD2-CD2 4.29Å; Y594-R628 HydrophobicContact CD2-CG 3.99Å; Y594-R628 HydrophobicContact CE2-CG 4.19Å; Y594-R628 WeakPolarHBondContact O-CG 3.24Å; Y594-R628 PolarHBondContact O-NE 2.95Å |
| 595 | N | 89.3 | Confident | 87.6 | Confident | 72 Ų | 72 | 29 Ų | 29 | 39% | 0.385 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -90.7 | -6.7 | 178 | -69.2 | -33.6 | 0 | 0 | 0 | 113.5 | A559 L591 A592 | A559-N595 PolarHBondContact O-ND2 3.32Å; L591-N595 PolarHBondContact O-N 3.05Å; L591-N595 VanDerWaalsContact O-N 3.11Å; A592-N595 PolarHBondContact O-N 2.91Å |
| 596 | G | 90 | Very high | 88.5 | Confident | 25 Ų | 25 | 32.7 Ų | 32.7 | 26% | 0.258 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 27.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A592 A593 C598 S630 | A592-G596 PolarHBondContact O-N 3.01Å; A593-G596 PolarHBondContact O-N 3.37Å; G596-C598 PolarHBondContact O-N 2.98Å; G596-S630 WeakPolarHBondContact CA-OG 3.42Å |
| 597 | H | 90.8 | Very high | 88.3 | Confident | 58 Ų | 58 | 34.2 Ų | 34.2 | 27% | 0.269 | 18% | 0.176 | S | C | . | . | trans | -87.4 | 85.4 | -179.2 | -63 | -54.5 | 0 | 0 | 0 | 111.4 | A559 G561 A592 E599 A600 L601 | A559-H597 PolarHBondContact O-CD2 2.96Å; A559-H597 PolarHBondContact O-NE2 2.95Å; A559-H597 VanDerWaalsContact O-NE2 3.13Å; G561-H597 VanDerWaalsContact CA-CG 3.42Å; G561-H597 PolarHBondContact N-CD2 2.95Å; A592-H597 PolarHBondContact O-N 3.34Å; H597-E599 PolarHBondContact O-N 3.48Å; H597-A600 HydrophobicContact CB-CB 4.1Å; H597-A600 PolarHBondContact O-N 3.4Å; H597-L601 VanDerWaalsContact O-CB 3.27Å; H597-L601 WeakPolarHBondContact O-CB 3.41Å; H597-L601 PolarHBondContact O-N 2.99Å | ||
| 598 | C | 89.6 | Confident | 87.5 | Confident | 24 Ų | 24 | 35.9 Ų | 35.9 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | -174 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | G596 L601 K602 E632 | G596-C598 PolarHBondContact O-N 2.98Å; C598-L601 WeakPolarHBondContact O-CB 3.41Å; C598-L601 PolarHBondContact O-N 3.06Å; C598-K602 WeakPolarHBondContact O-CB 3.38Å; C598-K602 PolarHBondContact O-N 3.09Å; C598-E632 HydrophobicContact CB-CB 3.97Å; C598-E632 PolarHBondContact SG-OE2 2.83Å |
| 599 | E | 87.7 | Confident | 86.4 | Confident | 100 Ų | 100 | 42.9 Ų | 42.9 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.3 | -43.8 | -179 | -69.3 | -58.1 | 128 | 0 | 0 | 112.5 | H597 L601 K602 T603 | H597-E599 PolarHBondContact O-N 3.48Å; E599-L601 VanDerWaalsContact C-N 3.33Å; E599-L601 PolarHBondContact O-N 2.86Å; E599-K602 PolarHBondContact O-N 2.89Å; E599-T603 PolarHBondContact O-N 3.22Å; E599-T603 VanDerWaalsContact O-N 3.12Å |
| 600 | A | 88.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | L566 H597 K602 T603 L604 | L566-A600 HydrophobicContact CD2-CB 3.82Å; H597-A600 HydrophobicContact CB-CB 4.1Å; H597-A600 PolarHBondContact O-N 3.4Å; A600-K602 VanDerWaalsContact C-N 3.33Å; A600-K602 PolarHBondContact O-N 3.48Å; A600-T603 PolarHBondContact O-N 3.5Å; A600-T603 PolarHBondContact O-OG1 2.95Å; A600-L604 WeakPolarHBondContact O-CG 3.44Å; A600-L604 PolarHBondContact O-N 3.49Å |
| 601 | L | 89.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 176.4 | -169.5 | 71.5 | 0 | 0 | 0 | 112 | L589 A592 A593 H597 C598 E599 L604 A605 C633 L637 | L589-L601 HydrophobicContact CD1-CD1 3.48Å; L589-L601 VanDerWaalsContact CD1-CD1 3.48Å; L589-L601 HydrophobicContact CD1-CG 4.43Å; L589-L601 HydrophobicContact CG-CD1 4.01Å; A592-L601 HydrophobicContact CB-CB 4.27Å; A592-L601 HydrophobicContact CB-CD1 3.97Å; A593-L601 HydrophobicContact CB-CD1 4.07Å; H597-L601 VanDerWaalsContact O-CB 3.27Å; H597-L601 WeakPolarHBondContact O-CB 3.41Å; H597-L601 PolarHBondContact O-N 2.99Å; C598-L601 WeakPolarHBondContact O-CB 3.41Å; C598-L601 PolarHBondContact O-N 3.06Å; E599-L601 VanDerWaalsContact C-N 3.33Å; E599-L601 PolarHBondContact O-N 2.86Å; L601-L604 PolarHBondContact O-N 3.12Å; L601-A605 WeakPolarHBondContact O-CB 3.47Å; L601-A605 PolarHBondContact O-N 2.79Å; L601-C633 HydrophobicContact CD2-CB 3.52Å; L601-L637 HydrophobicContact CD1-CD2 4.27Å; L601-L637 HydrophobicContact CD2-CD1 3.9Å; L601-L637 HydrophobicContact CD2-CD2 4.26Å; L601-L637 HydrophobicContact CD2-CG 3.76Å; L601-L637 HydrophobicContact CG-CD2 4.29Å; L601-L637 HydrophobicContact CG-CG 4.33Å |
| 602 | K | 89.7 | Confident | 85.4 | Confident | 83 Ų | 83 | 48 Ų | 48 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 176 | -173.1 | -179.6 | 177.5 | -176.7 | 0 | 111.6 | C598 E599 A600 L604 A605 E606 V636 | C598-K602 WeakPolarHBondContact O-CB 3.38Å; C598-K602 PolarHBondContact O-N 3.09Å; E599-K602 PolarHBondContact O-N 2.89Å; A600-K602 VanDerWaalsContact C-N 3.33Å; A600-K602 PolarHBondContact O-N 3.48Å; K602-L604 VanDerWaalsContact C-N 3.28Å; K602-L604 PolarHBondContact O-N 3.28Å; K602-A605 PolarHBondContact O-N 2.89Å; K602-A605 VanDerWaalsContact O-N 3.08Å; K602-E606 VanDerWaalsContact CE-OE1 3.25Å; K602-E606 WeakPolarHBondContact CE-OE1 3.38Å; K602-E606 WeakPolarHBondContact O-CG 3.38Å; K602-E606 PolarHBondContact O-N 2.92Å; K602-V636 HydrophobicContact CB-CG1 4.07Å; K602-V636 HydrophobicContact CG-CG1 4.46Å |
| 603 | T | 88.4 | Confident | 85.1 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -36.4 | 175.9 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | R563 L566 E567 E599 A600 T607 | R563-T603 HydrophobicContact CG-CG2 3.66Å; L566-T603 WeakPolarHBondContact CD2-OG1 3.41Å; E567-T603 HydrophobicContact CG-CG2 4.07Å; E567-T603 WeakPolarHBondContact OE1-CG2 3.45Å; E599-T603 PolarHBondContact O-N 3.22Å; E599-T603 VanDerWaalsContact O-N 3.12Å; A600-T603 PolarHBondContact O-N 3.5Å; A600-T603 PolarHBondContact O-OG1 2.95Å; T603-T607 WeakPolarHBondContact O-CG2 3.42Å; T603-T607 PolarHBondContact O-N 3.06Å; T603-T607 PolarHBondContact O-OG1 3.42Å |
| 604 | L | 87.1 | Confident | 84.9 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 173.3 | -70.6 | 170 | 0 | 0 | 0 | 111.9 | A558 L566 L570 P588 L589 A592 A600 L601 K602 T607 L608 | A558-L604 HydrophobicContact CB-CD1 3.95Å; L566-L604 HydrophobicContact CD1-CD2 4.22Å; L566-L604 HydrophobicContact CD2-CD1 4.23Å; L566-L604 HydrophobicContact CD2-CD2 4.3Å; L566-L604 HydrophobicContact CD2-CG 3.96Å; L570-L604 HydrophobicContact CD1-CD2 4.2Å; L570-L604 HydrophobicContact CD2-CD2 4.45Å; P588-L604 HydrophobicContact CB-CD1 4.16Å; P588-L604 HydrophobicContact CB-CD2 4.4Å; L589-L604 HydrophobicContact CD1-CB 3.86Å; A592-L604 HydrophobicContact CB-CD1 4.13Å; A600-L604 WeakPolarHBondContact O-CG 3.44Å; A600-L604 PolarHBondContact O-N 3.49Å; L601-L604 PolarHBondContact O-N 3.12Å; K602-L604 VanDerWaalsContact C-N 3.28Å; K602-L604 PolarHBondContact O-N 3.28Å; L604-T607 WeakPolarHBondContact CA-OG1 3.31Å; L604-T607 PolarHBondContact O-N 3.23Å; L604-T607 PolarHBondContact O-OG1 2.83Å; L604-L608 HydrophobicContact CB-CD1 4.1Å; L604-L608 WeakPolarHBondContact O-CB 3.48Å; L604-L608 WeakPolarHBondContact O-CD1 3.4Å; L604-L608 WeakPolarHBondContact O-CG 3.37Å; L604-L608 PolarHBondContact O-N 3.19Å |
| 605 | A | 85.8 | Confident | 84.7 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.2 | -33.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L601 K602 T607 L611 H640 | L601-A605 WeakPolarHBondContact O-CB 3.47Å; L601-A605 PolarHBondContact O-N 2.79Å; K602-A605 PolarHBondContact O-N 2.89Å; K602-A605 VanDerWaalsContact O-N 3.08Å; A605-T607 VanDerWaalsContact C-N 3.34Å; A605-L611 HydrophobicContact CB-CD2 3.99Å; A605-H640 HydrophobicContact CB-CB 4.38Å |
| 606 | E | 84.8 | Confident | 84.4 | Confident | 126 Ų | 126 | 52.8 Ų | 52.8 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -71.5 | -28.5 | 175 | -71.7 | 174 | -175.9 | 0 | 0 | 112.7 | K602 | K602-E606 VanDerWaalsContact CE-OE1 3.25Å; K602-E606 WeakPolarHBondContact CE-OE1 3.38Å; K602-E606 WeakPolarHBondContact O-CG 3.38Å; K602-E606 PolarHBondContact O-N 2.92Å |
| 607 | T | 77.8 | Confident | 84.2 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -96.9 | -28.1 | -175.6 | 51.5 | 0 | 0 | 0 | 0 | 114 | L570 T603 L604 A605 | L570-T607 HydrophobicContact CD1-CG2 4.28Å; T603-T607 WeakPolarHBondContact O-CG2 3.42Å; T603-T607 PolarHBondContact O-N 3.06Å; T603-T607 PolarHBondContact O-OG1 3.42Å; L604-T607 WeakPolarHBondContact CA-OG1 3.31Å; L604-T607 PolarHBondContact O-N 3.23Å; L604-T607 PolarHBondContact O-OG1 2.83Å; A605-T607 VanDerWaalsContact C-N 3.34Å |
| 608 | L | 69.6 | Low | 84 | Confident | 50 Ų | 50 | 54.1 Ų | 54.1 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | trans | -85.8 | 138.9 | -176.4 | -69.6 | 169.9 | 0 | 0 | 0 | 112.6 | L589 L604 | L589-L608 HydrophobicContact CB-CD1 4.21Å; L589-L608 HydrophobicContact CD1-CD1 4.13Å; L604-L608 HydrophobicContact CB-CD1 4.1Å; L604-L608 WeakPolarHBondContact O-CB 3.48Å; L604-L608 WeakPolarHBondContact O-CD1 3.4Å; L604-L608 WeakPolarHBondContact O-CG 3.37Å; L604-L608 PolarHBondContact O-N 3.19Å | ||
| 609 | V | 64.2 | Low | 84 | Confident | 156 Ų | 156 | 55 Ų | 55 | 95% | 0.945 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -77.4 | -24 | 178.7 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 610 | N | 79.6 | Confident | 84.2 | Confident | 78 Ų | 78 | 50.3 Ų | 50.3 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | trans | -138.6 | 120.6 | -177.9 | -174.2 | 5.3 | 0 | 0 | 0 | 111.9 | D612 V613 | N610-D612 PolarHBondContact OD1-N 2.79Å; N610-V613 WeakPolarHBondContact O-CG2 3.25Å | ||
| 611 | L | 82.2 | Confident | 84.3 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 9% | 0.094 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -91.4 | -16.4 | 178.7 | -56.5 | 179 | 0 | 0 | 0 | 113.3 | L589 A605 V613 H640 A642 | L589-L611 HydrophobicContact CD1-CD2 4.42Å; L589-L611 HydrophobicContact CD2-CB 4.37Å; L589-L611 HydrophobicContact CD2-CD2 4.11Å; A605-L611 HydrophobicContact CB-CD2 3.99Å; L611-V613 PolarHBondContact O-N 3.28Å; L611-H640 HydrophobicContact CD1-CB 3.56Å; L611-H640 WeakPolarHBondContact CD1-O 3.42Å; L611-A642 HydrophobicContact CB-CB 4.15Å; L611-A642 HydrophobicContact CD1-CB 4.37Å |
| 612 | D | 85 | Confident | 84.5 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | trans | -89.2 | 24.6 | -174.9 | -74 | -23.7 | 0 | 0 | 0 | 112.9 | N610 S643 I646 | N610-D612 PolarHBondContact OD1-N 2.79Å; D612-S643 PolarHBondContact OD1-N 3.05Å; D612-S643 WeakPolarHBondContact OD2-CB 3.36Å; D612-I646 HydrophobicContact CB-CD1 3.47Å; D612-I646 VanDerWaalsContact CB-CD1 3.47Å | ||
| 613 | V | 85.8 | Confident | 84.6 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 27% | 0.267 | 24% | 0.235 | S | C | . | . | trans | -60.5 | 140.6 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | H590 N610 L611 | H590-V613 PolarHBondContact CE1-O 2.77Å; H590-V613 PolarHBondContact NE2-O 2.97Å; H590-V613 VanDerWaalsContact NE2-O 3.13Å; N610-V613 WeakPolarHBondContact O-CG2 3.25Å; L611-V613 PolarHBondContact O-N 3.28Å | ||
| 614 | R | 87.2 | Confident | 84.8 | Confident | 112 Ų | 112 | 46.2 Ų | 46.2 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | trans | -115.4 | 132.2 | -175.1 | -61.1 | 177.2 | 71.2 | -171.4 | 6.1 | 111.4 | G618 R619 T620 I646 K647 | R614-G618 PolarHBondContact NE-O 3.32Å; R614-G618 PolarHBondContact NH2-O 3.05Å; R614-R619 WeakPolarHBondContact CA-O 3.24Å; R614-T620 HydrophobicContact CG-CG2 4.27Å; R614-I646 HydrophobicContact CG-CG2 4.4Å; R614-K647 PolarHBondContact NH2-O 3.49Å | ||
| 615 | D | 85.8 | Confident | 85.2 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.032 | 23% | 0.232 | C | C | . | . | trans | -69 | 178.7 | 172.1 | 80 | -5 | 0 | 0 | 0 | 112.3 | H590 K617 G618 R619 | H590-D615 PolarHBondContact NE2-N 2.99Å; D615-K617 PolarHBondContact O-N 3.06Å; D615-K617 VanDerWaalsContact OD1-CA 3.22Å; D615-K617 WeakPolarHBondContact OD1-CA 3.32Å; D615-K617 VanDerWaalsContact OD1-CB 3.27Å; D615-K617 WeakPolarHBondContact OD1-CB 3.3Å; D615-K617 PolarHBondContact OD1-N 3.18Å; D615-G618 WeakPolarHBondContact O-CA 3.4Å; D615-G618 PolarHBondContact O-N 2.91Å; D615-G618 PolarHBondContact OD1-N 3.41Å; D615-R619 PolarHBondContact N-O 3.31Å; D615-R619 PolarHBondContact OD1-N 3.03Å; D615-R619 IonicContact OD1-NE 3.74Å; D615-R619 IonicContact OD2-CZ 2.87Å; D615-R619 IonicContact OD2-NE 2.75Å; D615-R619 PolarHBondContact OD2-NE 2.96Å; D615-R619 IonicContact OD2-NH2 3.61Å; D615-R619 PolarHBondContact OD2-NH2 3.33Å | ||
| 616 | H | 83.8 | Confident | 85.5 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.5 | 176.8 | 62.3 | 21 | 0 | 0 | 0 | 114.5 | P585 R649 | P585-H616 PolarHBondContact O-N 3.45Å; H616-R649 PolarHBondContact O-NH1 2.85Å |
| 617 | K | 84.8 | Confident | 85.8 | Confident | 110 Ų | 110 | 43 Ų | 43 | 48% | 0.478 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -3 | 179.1 | -80.8 | 164.2 | -175 | 178.5 | 0 | 110.6 | D615 R619 R649 | D615-K617 PolarHBondContact O-N 3.06Å; D615-K617 VanDerWaalsContact OD1-CA 3.22Å; D615-K617 WeakPolarHBondContact OD1-CA 3.32Å; D615-K617 VanDerWaalsContact OD1-CB 3.27Å; D615-K617 WeakPolarHBondContact OD1-CB 3.3Å; D615-K617 PolarHBondContact OD1-N 3.18Å; K617-R619 VanDerWaalsContact C-N 3.34Å; K617-R619 HydrophobicContact CB-CG 4.15Å; K617-R649 VanDerWaalsContact O-CB 3.26Å; K617-R649 WeakPolarHBondContact O-CB 3.21Å; K617-R649 PolarHBondContact O-N 3.39Å |
| 618 | G | 86.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 78.4 | 13.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R614 D615 | R614-G618 PolarHBondContact NE-O 3.32Å; R614-G618 PolarHBondContact NH2-O 3.05Å; D615-G618 WeakPolarHBondContact O-CA 3.4Å; D615-G618 PolarHBondContact O-N 2.91Å; D615-G618 PolarHBondContact OD1-N 3.41Å |
| 619 | R | 90.2 | Very high | 87.5 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 16% | 0.158 | 22% | 0.22 | C | C | . | . | trans | -81.9 | 145.7 | 178 | -59.5 | 177.7 | -64.9 | 167.1 | 10 | 109.5 | H590 R614 D615 K617 F623 L624 E627 E648 | H590-R619 PolarHBondContact NE2-O 2.93Å; R614-R619 WeakPolarHBondContact CA-O 3.24Å; D615-R619 PolarHBondContact N-O 3.31Å; D615-R619 PolarHBondContact OD1-N 3.03Å; D615-R619 IonicContact OD1-NE 3.74Å; D615-R619 IonicContact OD2-CZ 2.87Å; D615-R619 IonicContact OD2-NE 2.75Å; D615-R619 PolarHBondContact OD2-NE 2.96Å; D615-R619 IonicContact OD2-NH2 3.61Å; D615-R619 PolarHBondContact OD2-NH2 3.33Å; K617-R619 VanDerWaalsContact C-N 3.34Å; K617-R619 HydrophobicContact CB-CG 4.15Å; R619-F623 HydrophobicContact CB-CB 4.37Å; R619-F623 HydrophobicContact CB-CD1 3.88Å; R619-F623 HydrophobicContact CB-CG 4.22Å; R619-F623 HydrophobicContact CG-CD1 3.74Å; R619-F623 HydrophobicContact CG-CE1 3.89Å; R619-F623 HydrophobicContact CG-CG 4.31Å; R619-L624 VanDerWaalsContact CZ-CD2 3.49Å; R619-L624 VanDerWaalsContact NH1-CD2 3.35Å; R619-E627 IonicContact NH1-OE2 3.51Å; R619-E648 HydrophobicContact CG-CB 3.71Å; R619-E648 HydrophobicContact CG-CG 4.44Å | ||
| 620 | T | 91.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | trans | -95.3 | 169.3 | 172.7 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | R614 L622 F623 L624 I646 | R614-T620 HydrophobicContact CG-CG2 4.27Å; T620-L622 VanDerWaalsContact C-N 3.27Å; T620-L622 PolarHBondContact O-N 3.04Å; T620-F623 WeakPolarHBondContact O-CB 3.28Å; T620-F623 PolarHBondContact O-N 3Å; T620-F623 PolarHBondContact OG1-N 2.93Å; T620-L624 PolarHBondContact O-N 3.38Å; T620-I646 HydrophobicContact CG2-CB 3.89Å; T620-I646 HydrophobicContact CG2-CD1 3.8Å; T620-I646 HydrophobicContact CG2-CG1 4.45Å; T620-I646 HydrophobicContact CG2-CG2 3.66Å | ||
| 621 | A | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -40.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L589 A593 F623 L624 A625 L637 | L589-A621 HydrophobicContact CB-CB 4.38Å; L589-A621 HydrophobicContact CD2-CB 3.65Å; L589-A621 HydrophobicContact CG-CB 3.61Å; A593-A621 HydrophobicContact CB-CB 3.91Å; A593-A621 WeakPolarHBondContact CB-O 3.38Å; A621-F623 VanDerWaalsContact C-N 3.34Å; A621-F623 PolarHBondContact O-N 3.42Å; A621-L624 PolarHBondContact O-N 2.64Å; A621-L624 VanDerWaalsContact O-N 3.12Å; A621-A625 PolarHBondContact O-N 2.7Å; A621-L637 HydrophobicContact CB-CD1 4.15Å |
| 622 | L | 92.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 175.9 | -176.6 | 62.5 | 0 | 0 | 0 | 111.7 | T620 L624 A625 T626 V634 L637 T638 A642 A644 P655 L671 | T620-L622 VanDerWaalsContact C-N 3.27Å; T620-L622 PolarHBondContact O-N 3.04Å; L622-L624 VanDerWaalsContact C-N 3.31Å; L622-L624 PolarHBondContact O-N 3.06Å; L622-A625 PolarHBondContact O-N 2.82Å; L622-T626 HydrophobicContact CD1-CG2 4.22Å; L622-T626 HydrophobicContact CG-CG2 4.46Å; L622-T626 WeakPolarHBondContact O-CG2 3.48Å; L622-T626 PolarHBondContact O-N 3.34Å; L622-T626 PolarHBondContact O-OG1 3.18Å; L622-V634 HydrophobicContact CD1-CB 4.48Å; L622-V634 HydrophobicContact CD1-CG1 4.02Å; L622-L637 HydrophobicContact CB-CD1 4.19Å; L622-L637 HydrophobicContact CD1-CB 3.98Å; L622-L637 HydrophobicContact CD1-CD1 4.31Å; L622-T638 HydrophobicContact CD1-CG2 4.09Å; L622-T638 HydrophobicContact CD2-CG2 4.49Å; L622-A642 HydrophobicContact CB-CB 4.43Å; L622-A642 HydrophobicContact CD2-CB 4.35Å; L622-A644 HydrophobicContact CD2-CB 4.34Å; L622-P655 HydrophobicContact CB-CG 4.46Å; L622-P655 HydrophobicContact CD2-CB 4.4Å; L622-P655 HydrophobicContact CD2-CG 4.15Å; L622-P655 HydrophobicContact CG-CB 4.12Å; L622-P655 HydrophobicContact CG-CG 4.09Å; L622-L671 HydrophobicContact CD1-CD2 4.05Å; L622-L671 HydrophobicContact CD2-CD2 3.93Å; L622-L671 HydrophobicContact CG-CD2 4.16Å |
| 623 | F | 93.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 175.4 | -177.8 | -79.3 | 0 | 0 | 0 | 112.4 | R619 T620 A621 T626 E627 E648 W653 P655 A658 | R619-F623 HydrophobicContact CB-CB 4.37Å; R619-F623 HydrophobicContact CB-CD1 3.88Å; R619-F623 HydrophobicContact CB-CG 4.22Å; R619-F623 HydrophobicContact CG-CD1 3.74Å; R619-F623 HydrophobicContact CG-CE1 3.89Å; R619-F623 HydrophobicContact CG-CG 4.31Å; T620-F623 WeakPolarHBondContact O-CB 3.28Å; T620-F623 PolarHBondContact O-N 3Å; T620-F623 PolarHBondContact OG1-N 2.93Å; A621-F623 VanDerWaalsContact C-N 3.34Å; A621-F623 PolarHBondContact O-N 3.42Å; F623-T626 PolarHBondContact O-OG1 3.17Å; F623-T626 VanDerWaalsContact O-OG1 3.06Å; F623-E627 HydrophobicContact CE1-CB 4.48Å; F623-E627 VanDerWaalsContact O-CB 3.32Å; F623-E627 WeakPolarHBondContact O-CB 3.44Å; F623-E627 PolarHBondContact O-N 3.33Å; F623-E648 HydrophobicContact CE2-CB 4.48Å; F623-E648 HydrophobicContact CE2-CG 3.94Å; F623-E648 HydrophobicContact CZ-CG 4.04Å; F623-W653 HydrophobicContact CE2-CB 3.79Å; F623-W653 HydrophobicContact CZ-CB 4.33Å; F623-W653 HydrophobicContact CZ-CE3 4.36Å; F623-P655 HydrophobicContact CB-CG 4.13Å; F623-A658 HydrophobicContact CD2-CB 4.25Å; F623-A658 HydrophobicContact CE1-CB 4.4Å; F623-A658 HydrophobicContact CE2-CB 3.82Å; F623-A658 HydrophobicContact CZ-CB 3.9Å |
| 624 | L | 92.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.6 | -40.8 | -179.4 | -64.6 | 177 | 0 | 0 | 0 | 111.9 | H590 Y594 R619 T620 A621 L622 T626 E627 R628 | H590-L624 HydrophobicContact CB-CD1 3.71Å; Y594-L624 HydrophobicContact CD2-CD2 4.29Å; R619-L624 VanDerWaalsContact CZ-CD2 3.49Å; R619-L624 VanDerWaalsContact NH1-CD2 3.35Å; T620-L624 PolarHBondContact O-N 3.38Å; A621-L624 PolarHBondContact O-N 2.64Å; A621-L624 VanDerWaalsContact O-N 3.12Å; L622-L624 VanDerWaalsContact C-N 3.31Å; L622-L624 PolarHBondContact O-N 3.06Å; L624-T626 VanDerWaalsContact C-N 3.29Å; L624-T626 PolarHBondContact O-N 3.48Å; L624-E627 PolarHBondContact O-N 2.8Å; L624-R628 WeakPolarHBondContact O-CB 3.34Å; L624-R628 VanDerWaalsContact O-CG 3.23Å; L624-R628 WeakPolarHBondContact O-CG 3.25Å; L624-R628 PolarHBondContact O-N 3.32Å; L624-R628 VanDerWaalsContact O-N 3.09Å |
| 625 | A | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | A593 A621 L622 R628 G629 S630 C633 V634 L637 | A593-A625 HydrophobicContact CB-CB 4.18Å; A621-A625 PolarHBondContact O-N 2.7Å; L622-A625 PolarHBondContact O-N 2.82Å; A625-R628 PolarHBondContact O-N 3.42Å; A625-G629 PolarHBondContact O-N 3.23Å; A625-S630 PolarHBondContact O-N 3.49Å; A625-C633 HydrophobicContact CB-CB 3.97Å; A625-V634 HydrophobicContact CB-CG2 3.86Å; A625-L637 HydrophobicContact CB-CD1 4.29Å |
| 626 | T | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.8 | -35.2 | 180 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | L622 F623 L624 R628 G629 V634 P655 H664 L671 | L622-T626 HydrophobicContact CD1-CG2 4.22Å; L622-T626 HydrophobicContact CG-CG2 4.46Å; L622-T626 WeakPolarHBondContact O-CG2 3.48Å; L622-T626 PolarHBondContact O-N 3.34Å; L622-T626 PolarHBondContact O-OG1 3.18Å; F623-T626 PolarHBondContact O-OG1 3.17Å; F623-T626 VanDerWaalsContact O-OG1 3.06Å; L624-T626 VanDerWaalsContact C-N 3.29Å; L624-T626 PolarHBondContact O-N 3.48Å; T626-R628 VanDerWaalsContact C-N 3.26Å; T626-R628 PolarHBondContact O-N 3.39Å; T626-G629 PolarHBondContact O-N 3.46Å; T626-V634 HydrophobicContact CG2-CG1 4.18Å; T626-V634 HydrophobicContact CG2-CG2 3.52Å; T626-P655 HydrophobicContact CG2-CB 4.07Å; T626-P655 PolarHBondContact OG1-O 3Å; T626-P655 VanDerWaalsContact OG1-O 3.1Å; T626-H664 PolarHBondContact O-CD2 3.12Å; T626-L671 HydrophobicContact CG2-CD1 3.7Å; T626-L671 HydrophobicContact CG2-CD2 4.2Å; T626-L671 HydrophobicContact CG2-CG 4.22Å |
| 627 | E | 91.9 | Very high | 91.4 | Very high | 68 Ų | 68 | 34 Ų | 34 | 32% | 0.318 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.4 | -34.4 | 172.7 | -176.9 | 175.9 | -145.9 | 0 | 0 | 111.5 | R619 F623 L624 A658 H664 | R619-E627 IonicContact NH1-OE2 3.51Å; F623-E627 HydrophobicContact CE1-CB 4.48Å; F623-E627 VanDerWaalsContact O-CB 3.32Å; F623-E627 WeakPolarHBondContact O-CB 3.44Å; F623-E627 PolarHBondContact O-N 3.33Å; L624-E627 PolarHBondContact O-N 2.8Å; E627-A658 HydrophobicContact CB-CB 4.32Å; E627-H664 PolarHBondContact O-NE2 3.41Å |
| 628 | R | 92.1 | Very high | 91.6 | Very high | 131 Ų | 131 | 30.2 Ų | 30.2 | 49% | 0.494 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -88.9 | -15.7 | -179.1 | -61.7 | -70.3 | -81.2 | 169.8 | -2.7 | 113.8 | Y594 L624 A625 T626 | Y594-R628 HydrophobicContact CD2-CG 3.99Å; Y594-R628 HydrophobicContact CE2-CG 4.19Å; Y594-R628 WeakPolarHBondContact O-CG 3.24Å; Y594-R628 PolarHBondContact O-NE 2.95Å; L624-R628 WeakPolarHBondContact O-CB 3.34Å; L624-R628 VanDerWaalsContact O-CG 3.23Å; L624-R628 WeakPolarHBondContact O-CG 3.25Å; L624-R628 PolarHBondContact O-N 3.32Å; L624-R628 VanDerWaalsContact O-N 3.09Å; A625-R628 PolarHBondContact O-N 3.42Å; T626-R628 VanDerWaalsContact C-N 3.26Å; T626-R628 PolarHBondContact O-N 3.39Å |
| 629 | G | 90 | Very high | 91.7 | Very high | 19 Ų | 19 | 34 Ų | 34 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 23.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A625 T626 T631 H664 | A625-G629 PolarHBondContact O-N 3.23Å; T626-G629 PolarHBondContact O-N 3.46Å; G629-T631 PolarHBondContact O-N 3.5Å; G629-H664 WeakPolarHBondContact CA-CD2 3.45Å; G629-H664 WeakPolarHBondContact CA-ND1 3.48Å; G629-H664 WeakPolarHBondContact CA-NE2 3.45Å; G629-H664 PolarHBondContact N-CD2 2.96Å; G629-H664 PolarHBondContact N-NE2 3.48Å |
| 630 | S | 91.5 | Very high | 91.6 | Very high | 27 Ų | 27 | 35.8 Ų | 35.8 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | trans | -80.5 | 81.6 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | G596 A625 E632 C633 V634 | G596-S630 WeakPolarHBondContact CA-OG 3.42Å; A625-S630 PolarHBondContact O-N 3.49Å; S630-E632 PolarHBondContact O-N 2.91Å; S630-C633 WeakPolarHBondContact O-CB 3.48Å; S630-C633 PolarHBondContact O-N 3.15Å; S630-V634 WeakPolarHBondContact O-CG2 3.41Å; S630-V634 PolarHBondContact O-N 2.98Å | ||
| 631 | T | 92 | Very high | 91.4 | Very high | 50 Ų | 50 | 38.5 Ų | 38.5 | 31% | 0.307 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.6 | -47.1 | -174.9 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | G629 C633 V634 E635 D666 | G629-T631 PolarHBondContact O-N 3.5Å; T631-C633 VanDerWaalsContact C-N 3.31Å; T631-C633 PolarHBondContact O-N 3.45Å; T631-V634 WeakPolarHBondContact O-CB 3.42Å; T631-V634 PolarHBondContact O-N 3.39Å; T631-V634 VanDerWaalsContact O-N 3.13Å; T631-E635 PolarHBondContact O-N 2.94Å; T631-D666 HydrophobicContact CG2-CB 3.51Å |
| 632 | E | 91.9 | Very high | 91.3 | Very high | 115 Ų | 115 | 38.6 Ų | 38.6 | 54% | 0.537 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 177.3 | -62.5 | 176.8 | -175.9 | 0 | 0 | 112.1 | C598 S630 V634 E635 V636 | C598-E632 HydrophobicContact CB-CB 3.97Å; C598-E632 PolarHBondContact SG-OE2 2.83Å; S630-E632 PolarHBondContact O-N 2.91Å; E632-V634 VanDerWaalsContact C-N 3.35Å; E632-E635 PolarHBondContact O-N 3.37Å; E632-V636 VanDerWaalsContact O-CG2 3.31Å; E632-V636 WeakPolarHBondContact O-CG2 3.39Å; E632-V636 PolarHBondContact O-N 3.46Å |
| 633 | C | 92.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.6 | -36.2 | 176.2 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | L601 A625 S630 T631 L637 | L601-C633 HydrophobicContact CD2-CB 3.52Å; A625-C633 HydrophobicContact CB-CB 3.97Å; S630-C633 WeakPolarHBondContact O-CB 3.48Å; S630-C633 PolarHBondContact O-N 3.15Å; T631-C633 VanDerWaalsContact C-N 3.31Å; T631-C633 PolarHBondContact O-N 3.45Å; C633-L637 WeakPolarHBondContact O-CB 3.31Å; C633-L637 VanDerWaalsContact O-CG 3.28Å; C633-L637 WeakPolarHBondContact O-CG 3.48Å; C633-L637 PolarHBondContact O-N 3.31Å |
| 634 | V | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64 | -46.8 | 174.2 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | L622 A625 T626 S630 T631 E632 V636 L637 T638 L670 L671 | L622-V634 HydrophobicContact CD1-CB 4.48Å; L622-V634 HydrophobicContact CD1-CG1 4.02Å; A625-V634 HydrophobicContact CB-CG2 3.86Å; T626-V634 HydrophobicContact CG2-CG1 4.18Å; T626-V634 HydrophobicContact CG2-CG2 3.52Å; S630-V634 WeakPolarHBondContact O-CG2 3.41Å; S630-V634 PolarHBondContact O-N 2.98Å; T631-V634 WeakPolarHBondContact O-CB 3.42Å; T631-V634 PolarHBondContact O-N 3.39Å; T631-V634 VanDerWaalsContact O-N 3.13Å; E632-V634 VanDerWaalsContact C-N 3.35Å; V634-V636 PolarHBondContact O-N 3.14Å; V634-L637 PolarHBondContact O-N 3.21Å; V634-T638 HydrophobicContact CG1-CG2 4.27Å; V634-T638 WeakPolarHBondContact O-CG2 3.4Å; V634-T638 PolarHBondContact O-N 2.63Å; V634-T638 PolarHBondContact O-OG1 3.48Å; V634-L670 HydrophobicContact CG1-CB 4.23Å; V634-L670 HydrophobicContact CG1-CD1 4.42Å; V634-L671 HydrophobicContact CG1-CD2 4.27Å; V634-L671 HydrophobicContact CG1-CG 4.3Å |
| 635 | E | 92.4 | Very high | 90.5 | Very high | 111 Ų | 111 | 42.1 Ų | 42.1 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 176.7 | -174.3 | -179.7 | -175.1 | 0 | 0 | 112 | T631 E632 L637 T638 A639 L670 | T631-E635 PolarHBondContact O-N 2.94Å; E632-E635 PolarHBondContact O-N 3.37Å; E635-L637 VanDerWaalsContact C-N 3.35Å; E635-L637 PolarHBondContact O-N 3.05Å; E635-T638 PolarHBondContact O-N 3.46Å; E635-T638 PolarHBondContact O-OG1 2.93Å; E635-A639 WeakPolarHBondContact O-CB 3.16Å; E635-A639 PolarHBondContact O-N 3.34Å; E635-L670 HydrophobicContact CB-CD1 4.1Å |
| 636 | V | 91.7 | Very high | 90.2 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 15% | 0.152 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 177.1 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | K602 E632 V634 H640 | K602-V636 HydrophobicContact CB-CG1 4.07Å; K602-V636 HydrophobicContact CG-CG1 4.46Å; E632-V636 VanDerWaalsContact O-CG2 3.31Å; E632-V636 WeakPolarHBondContact O-CG2 3.39Å; E632-V636 PolarHBondContact O-N 3.46Å; V634-V636 PolarHBondContact O-N 3.14Å; V636-H640 PolarHBondContact O-N 3.31Å; V636-H640 PolarHBondContact O-ND1 3.45Å |
| 637 | L | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.3 | -41.7 | -178.1 | -73.4 | 170.3 | 0 | 0 | 0 | 112.7 | L589 L601 A621 L622 A625 C633 V634 E635 H640 G641 A642 | L589-L637 HydrophobicContact CD1-CD2 4.44Å; L601-L637 HydrophobicContact CD1-CD2 4.27Å; L601-L637 HydrophobicContact CD2-CD1 3.9Å; L601-L637 HydrophobicContact CD2-CD2 4.26Å; L601-L637 HydrophobicContact CD2-CG 3.76Å; L601-L637 HydrophobicContact CG-CD2 4.29Å; L601-L637 HydrophobicContact CG-CG 4.33Å; A621-L637 HydrophobicContact CB-CD1 4.15Å; L622-L637 HydrophobicContact CB-CD1 4.19Å; L622-L637 HydrophobicContact CD1-CB 3.98Å; L622-L637 HydrophobicContact CD1-CD1 4.31Å; A625-L637 HydrophobicContact CB-CD1 4.29Å; C633-L637 WeakPolarHBondContact O-CB 3.31Å; C633-L637 VanDerWaalsContact O-CG 3.28Å; C633-L637 WeakPolarHBondContact O-CG 3.48Å; C633-L637 PolarHBondContact O-N 3.31Å; V634-L637 PolarHBondContact O-N 3.21Å; E635-L637 VanDerWaalsContact C-N 3.35Å; E635-L637 PolarHBondContact O-N 3.05Å; L637-H640 PolarHBondContact O-N 3.07Å; L637-G641 PolarHBondContact O-N 3.3Å; L637-A642 HydrophobicContact CB-CB 3.98Å; L637-A642 WeakPolarHBondContact O-CB 3.48Å; L637-A642 PolarHBondContact O-N 3.36Å |
| 638 | T | 89.5 | Confident | 90 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 177.5 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | L622 V634 E635 H640 G641 L671 | L622-T638 HydrophobicContact CD1-CG2 4.09Å; L622-T638 HydrophobicContact CD2-CG2 4.49Å; V634-T638 HydrophobicContact CG1-CG2 4.27Å; V634-T638 WeakPolarHBondContact O-CG2 3.4Å; V634-T638 PolarHBondContact O-N 2.63Å; V634-T638 PolarHBondContact O-OG1 3.48Å; E635-T638 PolarHBondContact O-N 3.46Å; E635-T638 PolarHBondContact O-OG1 2.93Å; T638-H640 PolarHBondContact O-N 2.83Å; T638-G641 PolarHBondContact O-N 3.01Å; T638-L671 HydrophobicContact CG2-CD2 4.26Å |
| 639 | A | 88.9 | Confident | 89.8 | Confident | 80 Ų | 80 | 45.8 Ų | 45.8 | 66% | 0.661 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.2 | -31.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E635 | E635-A639 WeakPolarHBondContact O-CB 3.16Å; E635-A639 PolarHBondContact O-N 3.34Å |
| 640 | H | 88.1 | Confident | 89.8 | Confident | 79 Ų | 79 | 53.4 Ų | 53.4 | 37% | 0.366 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 8.9 | 175.8 | -64.4 | 74.8 | 0 | 0 | 0 | 113.4 | A605 L611 V636 L637 T638 | A605-H640 HydrophobicContact CB-CB 4.38Å; L611-H640 HydrophobicContact CD1-CB 3.56Å; L611-H640 WeakPolarHBondContact CD1-O 3.42Å; V636-H640 PolarHBondContact O-N 3.31Å; V636-H640 PolarHBondContact O-ND1 3.45Å; L637-H640 PolarHBondContact O-N 3.07Å; T638-H640 PolarHBondContact O-N 2.83Å |
| 641 | G | 86.6 | Confident | 89.6 | Confident | 58 Ų | 58 | 57.3 Ų | 57.3 | 60% | 0.598 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 26.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | L637 T638 | L637-G641 PolarHBondContact O-N 3.3Å; T638-G641 PolarHBondContact O-N 3.01Å |
| 642 | A | 88.9 | Confident | 89.5 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 2% | 0.017 | 30% | 0.3 | C | S | . | . | trans | -69.4 | 135.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L611 L622 L637 | L611-A642 HydrophobicContact CB-CB 4.15Å; L611-A642 HydrophobicContact CD1-CB 4.37Å; L622-A642 HydrophobicContact CB-CB 4.43Å; L622-A642 HydrophobicContact CD2-CB 4.35Å; L637-A642 HydrophobicContact CB-CB 3.98Å; L637-A642 WeakPolarHBondContact O-CB 3.48Å; L637-A642 PolarHBondContact O-N 3.36Å | ||
| 643 | S | 88.4 | Confident | 89.6 | Confident | 23 Ų | 23 | 55.7 Ų | 55.7 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | trans | -79.8 | 128.9 | -171.2 | -176.8 | 0 | 0 | 0 | 0 | 114.2 | D612 L645 E676 | D612-S643 PolarHBondContact OD1-N 3.05Å; D612-S643 WeakPolarHBondContact OD2-CB 3.36Å; S643-L645 VanDerWaalsContact C-N 3.28Å; S643-L645 PolarHBondContact O-N 3.03Å; S643-L645 PolarHBondContact OG-N 3.4Å; S643-E676 VanDerWaalsContact CA-OE1 3.3Å; S643-E676 WeakPolarHBondContact CA-OE1 3.43Å; S643-E676 PolarHBondContact OG-OE2 3.23Å | ||
| 644 | A | 86.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L622 P655 L671 E676 I680 | L622-A644 HydrophobicContact CD2-CB 4.34Å; A644-P655 WeakPolarHBondContact O-CD 3.47Å; A644-L671 HydrophobicContact CB-CD2 4.09Å; A644-E676 PolarHBondContact N-OE1 3.05Å; A644-E676 VanDerWaalsContact N-OE1 3.1Å; A644-E676 PolarHBondContact N-OE2 3.35Å; A644-I680 HydrophobicContact CB-CD1 3.86Å |
| 645 | L | 86.2 | Confident | 89.6 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 33% | 0.33 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -11.4 | -174.5 | -65 | 172.9 | 0 | 0 | 0 | 114.1 | S643 K647 E676 I680 | S643-L645 VanDerWaalsContact C-N 3.28Å; S643-L645 PolarHBondContact O-N 3.03Å; S643-L645 PolarHBondContact OG-N 3.4Å; L645-K647 PolarHBondContact O-N 3.14Å; L645-E676 WeakPolarHBondContact CG-OE2 3.37Å; L645-I680 HydrophobicContact CD2-CD1 4.24Å; L645-I680 HydrophobicContact CD2-CG1 4.19Å |
| 646 | I | 88 | Confident | 89.5 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 124.1 | -174.4 | -62.4 | 172.1 | 0 | 0 | 0 | 110.2 | D612 R614 T620 | D612-I646 HydrophobicContact CB-CD1 3.47Å; D612-I646 VanDerWaalsContact CB-CD1 3.47Å; R614-I646 HydrophobicContact CG-CG2 4.4Å; T620-I646 HydrophobicContact CG2-CB 3.89Å; T620-I646 HydrophobicContact CG2-CD1 3.8Å; T620-I646 HydrophobicContact CG2-CG1 4.45Å; T620-I646 HydrophobicContact CG2-CG2 3.66Å |
| 647 | K | 89.4 | Confident | 89.6 | Confident | 74 Ų | 74 | 49.2 Ų | 49.2 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -92.9 | 134.5 | -179.1 | -61.7 | -173.7 | 178 | -160.6 | 0 | 111.5 | R614 L645 K652 W653 T654 M684 | R614-K647 PolarHBondContact NH2-O 3.49Å; L645-K647 PolarHBondContact O-N 3.14Å; K647-K652 HydrophobicContact CB-CB 4.41Å; K647-K652 HydrophobicContact CB-CD 4.34Å; K647-K652 HydrophobicContact CD-CB 4.1Å; K647-K652 WeakPolarHBondContact CD-O 3.47Å; K647-K652 WeakPolarHBondContact CG-O 3.5Å; K647-W653 CarbonylContact C-O 3.55Å; K647-W653 WeakPolarHBondContact CA-O 3.47Å; K647-T654 HydrophobicContact CG-CG2 3.78Å; K647-M684 PolarHBondContact NZ-O 3.34Å |
| 648 | E | 91.1 | Very high | 89.7 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 162.8 | 169 | 66.7 | 67.9 | -134.1 | 0 | 0 | 111.8 | R619 F623 K650 R651 K652 W653 | R619-E648 HydrophobicContact CG-CB 3.71Å; R619-E648 HydrophobicContact CG-CG 4.44Å; F623-E648 HydrophobicContact CE2-CB 4.48Å; F623-E648 HydrophobicContact CE2-CG 3.94Å; F623-E648 HydrophobicContact CZ-CG 4.04Å; E648-K650 WeakPolarHBondContact OE2-CA 3.5Å; E648-K650 WeakPolarHBondContact OE2-CB 3.31Å; E648-K650 PolarHBondContact OE2-N 3.43Å; E648-R651 WeakPolarHBondContact OE1-CA 3.31Å; E648-R651 WeakPolarHBondContact OE1-CB 3.5Å; E648-R651 PolarHBondContact OE1-N 3.41Å; E648-R651 PolarHBondContact OE2-N 3.36Å; E648-K652 VanDerWaalsContact O-CA 3.3Å; E648-K652 WeakPolarHBondContact O-CA 3.38Å; E648-K652 PolarHBondContact O-N 3.4Å; E648-K652 PolarHBondContact OE1-N 3.07Å; E648-W653 HydrophobicContact CG-CB 3.94Å; E648-W653 PolarHBondContact N-O 3.45Å; E648-W653 PolarHBondContact OE1-N 3.4Å |
| 649 | R | 88.9 | Confident | 89.9 | Confident | 154 Ų | 154 | 47.7 Ų | 47.7 | 58% | 0.581 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -33.9 | -166.5 | -75.9 | 170.7 | 178 | -176.2 | -4.1 | 114.2 | H616 K617 | H616-R649 PolarHBondContact O-NH1 2.85Å; K617-R649 VanDerWaalsContact O-CB 3.26Å; K617-R649 WeakPolarHBondContact O-CB 3.21Å; K617-R649 PolarHBondContact O-N 3.39Å |
| 650 | K | 87.9 | Confident | 90.2 | Very high | 178 Ų | 178 | 43.9 Ų | 43.9 | 77% | 0.774 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -58.9 | -165.9 | -174.6 | 178.7 | -179.9 | 178.7 | 0 | 113.3 | E648 | E648-K650 WeakPolarHBondContact OE2-CA 3.5Å; E648-K650 WeakPolarHBondContact OE2-CB 3.31Å; E648-K650 PolarHBondContact OE2-N 3.43Å |
| 651 | R | 87.9 | Confident | 90.5 | Very high | 109 Ų | 109 | 40.6 Ų | 40.6 | 41% | 0.411 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -7.1 | 179.8 | -58.7 | -177.8 | 172.1 | 167.3 | -2.1 | 112.7 | E648 W653 D685 A686 | E648-R651 WeakPolarHBondContact OE1-CA 3.31Å; E648-R651 WeakPolarHBondContact OE1-CB 3.5Å; E648-R651 PolarHBondContact OE1-N 3.41Å; E648-R651 PolarHBondContact OE2-N 3.36Å; R651-W653 VanDerWaalsContact C-N 3.26Å; R651-W653 VanDerWaalsContact CB-CD1 3.47Å; R651-W653 HydrophobicContact CB-CD2 4.24Å; R651-W653 HydrophobicContact CB-CG 3.9Å; R651-W653 VanDerWaalsContact CD-CE2 3.5Å; R651-W653 VanDerWaalsContact NH1-CZ2 3.29Å; R651-W653 PolarHBondContact O-N 3.42Å; R651-D685 WeakPolarHBondContact O-CB 3.44Å; R651-A686 VanDerWaalsContact O-CB 3.23Å; R651-A686 WeakPolarHBondContact O-CB 3.48Å; R651-A686 PolarHBondContact O-N 2.88Å |
| 652 | K | 91.1 | Very high | 90.7 | Very high | 100 Ų | 100 | 39.9 Ų | 39.9 | 44% | 0.435 | 18% | 0.18 | S | C | . | . | trans | 62.4 | 31 | -172.6 | -60.2 | -69.5 | -173 | 176.4 | 0 | 113.1 | K647 E648 A686 | K647-K652 HydrophobicContact CB-CB 4.41Å; K647-K652 HydrophobicContact CB-CD 4.34Å; K647-K652 HydrophobicContact CD-CB 4.1Å; K647-K652 WeakPolarHBondContact CD-O 3.47Å; K647-K652 WeakPolarHBondContact CG-O 3.5Å; E648-K652 VanDerWaalsContact O-CA 3.3Å; E648-K652 WeakPolarHBondContact O-CA 3.38Å; E648-K652 PolarHBondContact O-N 3.4Å; E648-K652 PolarHBondContact OE1-N 3.07Å; K652-A686 HydrophobicContact CB-CB 4.25Å; K652-A686 HydrophobicContact CG-CB 4.08Å | ||
| 653 | W | 92.8 | Very high | 91 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 12% | 0.117 | 19% | 0.19 | C | C | . | . | trans | -73.5 | 136.5 | 177.6 | -73.6 | 3.5 | 0 | 0 | 0 | 112.3 | F623 K647 E648 R651 H657 A661 D685 L694 | F623-W653 HydrophobicContact CE2-CB 3.79Å; F623-W653 HydrophobicContact CZ-CB 4.33Å; F623-W653 HydrophobicContact CZ-CE3 4.36Å; K647-W653 CarbonylContact C-O 3.55Å; K647-W653 WeakPolarHBondContact CA-O 3.47Å; E648-W653 HydrophobicContact CG-CB 3.94Å; E648-W653 PolarHBondContact N-O 3.45Å; E648-W653 PolarHBondContact OE1-N 3.4Å; R651-W653 VanDerWaalsContact C-N 3.26Å; R651-W653 VanDerWaalsContact CB-CD1 3.47Å; R651-W653 HydrophobicContact CB-CD2 4.24Å; R651-W653 HydrophobicContact CB-CG 3.9Å; R651-W653 VanDerWaalsContact CD-CE2 3.5Å; R651-W653 VanDerWaalsContact NH1-CZ2 3.29Å; R651-W653 PolarHBondContact O-N 3.42Å; W653-H657 HydrophobicContact CB-CB 3.88Å; W653-H657 HydrophobicContact CD2-CB 4.24Å; W653-H657 HydrophobicContact CG-CB 3.87Å; W653-A661 HydrophobicContact CH2-CB 4.05Å; W653-A661 HydrophobicContact CZ3-CB 4.24Å; W653-D685 PolarHBondContact NE1-OD2 3.23Å; W653-L694 HydrophobicContact CH2-CD1 4.44Å; W653-L694 HydrophobicContact CZ2-CD1 3.79Å; W653-L694 HydrophobicContact CZ2-CD2 4.25Å | ||
| 654 | T | 92.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | trans | -87.5 | 165.1 | 165.3 | 61 | 0 | 0 | 0 | 0 | 110.3 | K647 L656 H657 A658 V683 | K647-T654 HydrophobicContact CG-CG2 3.78Å; T654-L656 PolarHBondContact O-N 3.43Å; T654-L656 VanDerWaalsContact O-N 3.12Å; T654-H657 PolarHBondContact N-ND1 2.96Å; T654-H657 WeakPolarHBondContact O-CB 3.41Å; T654-H657 PolarHBondContact O-N 3.19Å; T654-H657 PolarHBondContact OG1-N 3.05Å; T654-H657 PolarHBondContact OG1-ND1 3.27Å; T654-A658 PolarHBondContact O-N 3.49Å; T654-A658 VanDerWaalsContact O-N 3.17Å; T654-V683 HydrophobicContact CG2-CG1 3.93Å | ||
| 655 | P | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -50.2 | -32.6 | 169.8 | -28.1 | 34.1 | 0 | 0 | 0 | 113.6 | L622 F623 T626 A644 A658 A659 L671 | L622-P655 HydrophobicContact CB-CG 4.46Å; L622-P655 HydrophobicContact CD2-CB 4.4Å; L622-P655 HydrophobicContact CD2-CG 4.15Å; L622-P655 HydrophobicContact CG-CB 4.12Å; L622-P655 HydrophobicContact CG-CG 4.09Å; F623-P655 HydrophobicContact CB-CG 4.13Å; T626-P655 HydrophobicContact CG2-CB 4.07Å; T626-P655 PolarHBondContact OG1-O 3Å; T626-P655 VanDerWaalsContact OG1-O 3.1Å; A644-P655 WeakPolarHBondContact O-CD 3.47Å; P655-A658 PolarHBondContact O-N 3.42Å; P655-A659 PolarHBondContact O-N 3.34Å; P655-L671 HydrophobicContact CB-CD1 4.16Å; P655-L671 HydrophobicContact CB-CD2 4.27Å |
| 656 | L | 92.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 175.6 | -162 | 76.8 | 0 | 0 | 0 | 112.8 | T654 A658 A659 A660 L668 L671 I672 I680 P691 | T654-L656 PolarHBondContact O-N 3.43Å; T654-L656 VanDerWaalsContact O-N 3.12Å; L656-A658 VanDerWaalsContact C-N 3.29Å; L656-A658 PolarHBondContact O-N 3.47Å; L656-A659 PolarHBondContact O-N 3.12Å; L656-A660 WeakPolarHBondContact O-CB 3.44Å; L656-A660 PolarHBondContact O-N 2.95Å; L656-L668 HydrophobicContact CD1-CD1 3.39Å; L656-L668 HydrophobicContact CD1-CG 4.31Å; L656-L668 HydrophobicContact CG-CD1 3.88Å; L656-L671 HydrophobicContact CD1-CB 3.87Å; L656-L671 HydrophobicContact CD1-CD1 4.11Å; L656-I672 HydrophobicContact CD1-CD1 4.4Å; L656-I672 HydrophobicContact CD1-CG1 3.79Å; L656-I680 HydrophobicContact CD2-CG1 4.24Å; L656-I680 WeakPolarHBondContact CD2-O 3.5Å; L656-P691 HydrophobicContact CD2-CB 4.4Å; L656-P691 HydrophobicContact CD2-CG 3.88Å; L656-P691 HydrophobicContact CG-CB 4.43Å; L656-P691 HydrophobicContact CG-CG 4.22Å |
| 657 | H | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 173.4 | -71.2 | 82 | 0 | 0 | 0 | 111.3 | W653 T654 A661 V683 Q689 L694 | W653-H657 HydrophobicContact CB-CB 3.88Å; W653-H657 HydrophobicContact CD2-CB 4.24Å; W653-H657 HydrophobicContact CG-CB 3.87Å; T654-H657 PolarHBondContact N-ND1 2.96Å; T654-H657 WeakPolarHBondContact O-CB 3.41Å; T654-H657 PolarHBondContact O-N 3.19Å; T654-H657 PolarHBondContact OG1-N 3.05Å; T654-H657 PolarHBondContact OG1-ND1 3.27Å; H657-A661 WeakPolarHBondContact O-CB 3.47Å; H657-A661 PolarHBondContact O-N 3.37Å; H657-V683 PolarHBondContact CE1-O 3.34Å; H657-V683 PolarHBondContact NE2-O 3.48Å; H657-Q689 PolarHBondContact NE2-O 3.19Å; H657-L694 HydrophobicContact CB-CD1 3.93Å |
| 658 | A | 93.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F623 E627 T654 P655 L656 A661 S662 | F623-A658 HydrophobicContact CD2-CB 4.25Å; F623-A658 HydrophobicContact CE1-CB 4.4Å; F623-A658 HydrophobicContact CE2-CB 3.82Å; F623-A658 HydrophobicContact CZ-CB 3.9Å; E627-A658 HydrophobicContact CB-CB 4.32Å; T654-A658 PolarHBondContact O-N 3.49Å; T654-A658 VanDerWaalsContact O-N 3.17Å; P655-A658 PolarHBondContact O-N 3.42Å; L656-A658 VanDerWaalsContact C-N 3.29Å; L656-A658 PolarHBondContact O-N 3.47Å; A658-A661 PolarHBondContact O-N 3.24Å; A658-S662 VanDerWaalsContact O-CB 3.24Å; A658-S662 WeakPolarHBondContact O-CB 3.49Å; A658-S662 PolarHBondContact O-N 2.94Å; A658-S662 PolarHBondContact O-OG 3.42Å |
| 659 | A | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -48.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P655 L656 A661 S662 G663 H664 L668 L671 | P655-A659 PolarHBondContact O-N 3.34Å; L656-A659 PolarHBondContact O-N 3.12Å; A659-A661 PolarHBondContact O-N 3.33Å; A659-S662 PolarHBondContact O-N 3.41Å; A659-G663 PolarHBondContact O-N 2.96Å; A659-H664 PolarHBondContact O-N 3.31Å; A659-H664 VanDerWaalsContact O-N 3.15Å; A659-L668 HydrophobicContact CB-CB 4.24Å; A659-L668 HydrophobicContact CB-CD1 3.84Å; A659-L671 HydrophobicContact CB-CD1 4.11Å |
| 660 | A | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L656 S662 L668 P691 A695 H700 L707 | L656-A660 WeakPolarHBondContact O-CB 3.44Å; L656-A660 PolarHBondContact O-N 2.95Å; A660-S662 VanDerWaalsContact C-N 3.31Å; A660-S662 PolarHBondContact O-N 2.99Å; A660-L668 HydrophobicContact CB-CD1 4.18Å; A660-P691 HydrophobicContact CB-CB 3.8Å; A660-P691 WeakPolarHBondContact CB-O 3.23Å; A660-A695 HydrophobicContact CB-CB 4.25Å; A660-A695 WeakPolarHBondContact O-CA 3.28Å; A660-H700 PolarHBondContact O-CD2 2.99Å; A660-L707 HydrophobicContact CB-CD1 4.24Å |
| 661 | A | 93.8 | Very high | 92.3 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 7% | 0.074 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.5 | -26.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W653 H657 A658 A659 L694 N698 H700 | W653-A661 HydrophobicContact CH2-CB 4.05Å; W653-A661 HydrophobicContact CZ3-CB 4.24Å; H657-A661 WeakPolarHBondContact O-CB 3.47Å; H657-A661 PolarHBondContact O-N 3.37Å; A658-A661 PolarHBondContact O-N 3.24Å; A659-A661 PolarHBondContact O-N 3.33Å; A661-L694 HydrophobicContact CB-CB 4.15Å; A661-L694 HydrophobicContact CB-CD1 4.36Å; A661-N698 PolarHBondContact O-ND2 3.09Å; A661-H700 PolarHBondContact O-NE2 2.94Å |
| 662 | S | 92.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 26.6 Ų | 26.6 | 30% | 0.301 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -97.3 | -9.3 | -177.6 | -50 | 0 | 0 | 0 | 0 | 113.1 | A658 A659 A660 H664 | A658-S662 VanDerWaalsContact O-CB 3.24Å; A658-S662 WeakPolarHBondContact O-CB 3.49Å; A658-S662 PolarHBondContact O-N 2.94Å; A658-S662 PolarHBondContact O-OG 3.42Å; A659-S662 PolarHBondContact O-N 3.41Å; A660-S662 VanDerWaalsContact C-N 3.31Å; A660-S662 PolarHBondContact O-N 2.99Å; S662-H664 WeakPolarHBondContact CB-CD2 3.38Å; S662-H664 WeakPolarHBondContact CB-NE2 3.24Å |
| 663 | G | 93.3 | Very high | 92 | Very high | 21 Ų | 21 | 26 Ų | 26 | 22% | 0.216 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 20.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | A659 T665 H700 C703 | A659-G663 PolarHBondContact O-N 2.96Å; G663-T665 PolarHBondContact O-N 3.03Å; G663-H700 VanDerWaalsContact CA-CD2 3.43Å; G663-H700 WeakPolarHBondContact CA-CD2 3.45Å; G663-H700 PolarHBondContact N-CD2 3.01Å; G663-H700 PolarHBondContact N-NE2 3Å; G663-C703 VanDerWaalsContact C-SG 3.6Å |
| 664 | H | 94.4 | Very high | 91.3 | Very high | 53 Ų | 53 | 26.5 Ų | 26.5 | 25% | 0.245 | 15% | 0.151 | C | C | . | . | trans | -89.8 | 84.1 | -175.8 | -59.6 | -53.5 | 0 | 0 | 0 | 111 | T626 E627 G629 A659 S662 D666 S667 L668 | T626-H664 PolarHBondContact O-CD2 3.12Å; E627-H664 PolarHBondContact O-NE2 3.41Å; G629-H664 WeakPolarHBondContact CA-CD2 3.45Å; G629-H664 WeakPolarHBondContact CA-ND1 3.48Å; G629-H664 WeakPolarHBondContact CA-NE2 3.45Å; G629-H664 PolarHBondContact N-CD2 2.96Å; G629-H664 PolarHBondContact N-NE2 3.48Å; A659-H664 PolarHBondContact O-N 3.31Å; A659-H664 VanDerWaalsContact O-N 3.15Å; S662-H664 WeakPolarHBondContact CB-CD2 3.38Å; S662-H664 WeakPolarHBondContact CB-NE2 3.24Å; H664-D666 PolarHBondContact O-N 3.45Å; H664-S667 PolarHBondContact O-N 3.38Å; H664-L668 WeakPolarHBondContact O-CB 3.12Å; H664-L668 PolarHBondContact O-N 3.34Å | ||
| 665 | T | 93.2 | Very high | 90 | Very high | 39 Ų | 39 | 29.8 Ų | 29.8 | 24% | 0.239 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.7 | -48.3 | -177.3 | 32 | 0 | 0 | 0 | 0 | 114.2 | G663 S667 L668 H669 D702 | G663-T665 PolarHBondContact O-N 3.03Å; T665-S667 VanDerWaalsContact C-N 3.35Å; T665-S667 PolarHBondContact O-N 3.42Å; T665-L668 WeakPolarHBondContact O-CA 3.29Å; T665-L668 VanDerWaalsContact O-CB 3.31Å; T665-L668 WeakPolarHBondContact O-CB 3.45Å; T665-L668 PolarHBondContact O-N 3.21Å; T665-L668 VanDerWaalsContact O-N 3.14Å; T665-H669 WeakPolarHBondContact O-CB 3.34Å; T665-H669 PolarHBondContact O-N 3.07Å; T665-D702 HydrophobicContact CG2-CB 3.44Å; T665-D702 VanDerWaalsContact CG2-CB 3.44Å |
| 666 | D | 92.3 | Very high | 88.7 | Confident | 107 Ų | 107 | 33.2 Ų | 33.2 | 57% | 0.572 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64.9 | -41.3 | -178.1 | -64 | -21.9 | 0 | 0 | 0 | 111.5 | T631 H664 L668 H669 L670 | T631-D666 HydrophobicContact CG2-CB 3.51Å; H664-D666 PolarHBondContact O-N 3.45Å; D666-L668 VanDerWaalsContact C-N 3.3Å; D666-L668 PolarHBondContact O-N 3.06Å; D666-H669 PolarHBondContact O-N 3.03Å; D666-L670 WeakPolarHBondContact O-CG 3.2Å; D666-L670 PolarHBondContact O-N 3.4Å |
| 667 | S | 91.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -39.2 | 174 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | H664 T665 L671 | H664-S667 PolarHBondContact O-N 3.38Å; T665-S667 VanDerWaalsContact C-N 3.35Å; T665-S667 PolarHBondContact O-N 3.42Å; S667-L671 WeakPolarHBondContact O-CB 3.46Å; S667-L671 WeakPolarHBondContact O-CG 3.27Å; S667-L671 PolarHBondContact O-N 3.09Å |
| 668 | L | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.1 | -166.9 | 71.8 | 0 | 0 | 0 | 111.4 | L656 A659 A660 H664 T665 D666 L671 I672 C703 L706 L707 | L656-L668 HydrophobicContact CD1-CD1 3.39Å; L656-L668 HydrophobicContact CD1-CG 4.31Å; L656-L668 HydrophobicContact CG-CD1 3.88Å; A659-L668 HydrophobicContact CB-CB 4.24Å; A659-L668 HydrophobicContact CB-CD1 3.84Å; A660-L668 HydrophobicContact CB-CD1 4.18Å; H664-L668 WeakPolarHBondContact O-CB 3.12Å; H664-L668 PolarHBondContact O-N 3.34Å; T665-L668 WeakPolarHBondContact O-CA 3.29Å; T665-L668 VanDerWaalsContact O-CB 3.31Å; T665-L668 WeakPolarHBondContact O-CB 3.45Å; T665-L668 PolarHBondContact O-N 3.21Å; T665-L668 VanDerWaalsContact O-N 3.14Å; D666-L668 VanDerWaalsContact C-N 3.3Å; D666-L668 PolarHBondContact O-N 3.06Å; L668-L671 PolarHBondContact O-N 3.11Å; L668-I672 HydrophobicContact CG-CD1 4.16Å; L668-I672 VanDerWaalsContact O-CG1 3.31Å; L668-I672 WeakPolarHBondContact O-CG1 3.13Å; L668-I672 PolarHBondContact O-N 3.01Å; L668-C703 HydrophobicContact CD2-CB 3.87Å; L668-L706 HydrophobicContact CB-CD2 4.21Å; L668-L706 HydrophobicContact CD2-CD2 4.13Å; L668-L706 HydrophobicContact CG-CD2 4.3Å; L668-L707 HydrophobicContact CD1-CD2 4.42Å; L668-L707 HydrophobicContact CD2-CD1 4.11Å; L668-L707 HydrophobicContact CD2-CD2 4.17Å; L668-L707 HydrophobicContact CD2-CG 3.82Å; L668-L707 HydrophobicContact CG-CD2 4.49Å |
| 669 | H | 91.3 | Very high | 85.3 | Confident | 77 Ų | 77 | 51 Ų | 51 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 177.3 | -168.7 | -76 | 0 | 0 | 0 | 111.4 | T665 D666 L671 I672 D673 L706 | T665-H669 WeakPolarHBondContact O-CB 3.34Å; T665-H669 PolarHBondContact O-N 3.07Å; D666-H669 PolarHBondContact O-N 3.03Å; H669-L671 VanDerWaalsContact C-N 3.33Å; H669-L671 PolarHBondContact O-N 2.92Å; H669-I672 PolarHBondContact O-N 3.46Å; H669-D673 IonicContact CE1-OD2 2.9Å; H669-D673 PolarHBondContact CE1-OD2 3.23Å; H669-D673 IonicContact ND1-OD2 3.8Å; H669-D673 PolarHBondContact ND1-OD2 3.45Å; H669-D673 VanDerWaalsContact ND1-OD2 3.14Å; H669-D673 IonicContact NE2-OD2 2.68Å; H669-D673 WeakPolarHBondContact O-CB 3.45Å; H669-D673 PolarHBondContact O-N 3.25Å; H669-L706 HydrophobicContact CB-CD2 3.85Å |
| 670 | L | 90.1 | Very high | 84.7 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 28% | 0.277 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 177.6 | -70.7 | 171.5 | 0 | 0 | 0 | 112.7 | V634 E635 D666 S674 | V634-L670 HydrophobicContact CG1-CB 4.23Å; V634-L670 HydrophobicContact CG1-CD1 4.42Å; E635-L670 HydrophobicContact CB-CD1 4.1Å; D666-L670 WeakPolarHBondContact O-CG 3.2Å; D666-L670 PolarHBondContact O-N 3.4Å; L670-S674 PolarHBondContact O-N 3.49Å |
| 671 | L | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 177.7 | -72.6 | 172.3 | 0 | 0 | 0 | 112.4 | L622 T626 V634 T638 A644 P655 L656 A659 S667 L668 H669 S674 | L622-L671 HydrophobicContact CD1-CD2 4.05Å; L622-L671 HydrophobicContact CD2-CD2 3.93Å; L622-L671 HydrophobicContact CG-CD2 4.16Å; T626-L671 HydrophobicContact CG2-CD1 3.7Å; T626-L671 HydrophobicContact CG2-CD2 4.2Å; T626-L671 HydrophobicContact CG2-CG 4.22Å; V634-L671 HydrophobicContact CG1-CD2 4.27Å; V634-L671 HydrophobicContact CG1-CG 4.3Å; T638-L671 HydrophobicContact CG2-CD2 4.26Å; A644-L671 HydrophobicContact CB-CD2 4.09Å; P655-L671 HydrophobicContact CB-CD1 4.16Å; P655-L671 HydrophobicContact CB-CD2 4.27Å; L656-L671 HydrophobicContact CD1-CB 3.87Å; L656-L671 HydrophobicContact CD1-CD1 4.11Å; A659-L671 HydrophobicContact CB-CD1 4.11Å; S667-L671 WeakPolarHBondContact O-CB 3.46Å; S667-L671 WeakPolarHBondContact O-CG 3.27Å; S667-L671 PolarHBondContact O-N 3.09Å; L668-L671 PolarHBondContact O-N 3.11Å; H669-L671 VanDerWaalsContact C-N 3.33Å; H669-L671 PolarHBondContact O-N 2.92Å; L671-S674 WeakPolarHBondContact O-CB 3.46Å; L671-S674 PolarHBondContact O-N 3.07Å; L671-S674 PolarHBondContact O-OG 3.47Å |
| 672 | I | 87.9 | Confident | 83.8 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69 | -39.4 | 179.8 | -66.3 | 167.5 | 0 | 0 | 0 | 110.6 | L656 L668 H669 S674 T681 L707 K710 | L656-I672 HydrophobicContact CD1-CD1 4.4Å; L656-I672 HydrophobicContact CD1-CG1 3.79Å; L668-I672 HydrophobicContact CG-CD1 4.16Å; L668-I672 VanDerWaalsContact O-CG1 3.31Å; L668-I672 WeakPolarHBondContact O-CG1 3.13Å; L668-I672 PolarHBondContact O-N 3.01Å; H669-I672 PolarHBondContact O-N 3.46Å; I672-S674 PolarHBondContact O-N 3.4Å; I672-T681 HydrophobicContact CD1-CG2 4.4Å; I672-L707 HydrophobicContact CD1-CD2 3.99Å; I672-K710 HydrophobicContact CD1-CB 4.33Å; I672-K710 HydrophobicContact CD1-CG 4.28Å; I672-K710 HydrophobicContact CG2-CB 4.04Å; I672-K710 HydrophobicContact CG2-CD 3.94Å; I672-K710 HydrophobicContact CG2-CG 3.99Å |
| 673 | D | 85.2 | Confident | 83.7 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76 | -9.5 | -179.2 | -72.5 | -3 | 0 | 0 | 0 | 113.7 | H669 G675 K710 | H669-D673 IonicContact CE1-OD2 2.9Å; H669-D673 PolarHBondContact CE1-OD2 3.23Å; H669-D673 IonicContact ND1-OD2 3.8Å; H669-D673 PolarHBondContact ND1-OD2 3.45Å; H669-D673 VanDerWaalsContact ND1-OD2 3.14Å; H669-D673 IonicContact NE2-OD2 2.68Å; H669-D673 WeakPolarHBondContact O-CB 3.45Å; H669-D673 PolarHBondContact O-N 3.25Å; D673-G675 PolarHBondContact O-N 3.15Å; D673-K710 IonicContact OD1-NZ 3.59Å; D673-K710 PolarHBondContact OD1-NZ 3.16Å; D673-K710 IonicContact OD2-NZ 3.52Å |
| 674 | S | 79.1 | Confident | 83.5 | Confident | 42 Ų | 42 | 55.3 Ų | 55.3 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -9.9 | 179 | 70.1 | 0 | 0 | 0 | 0 | 115 | L670 L671 I672 E676 | L670-S674 PolarHBondContact O-N 3.49Å; L671-S674 WeakPolarHBondContact O-CB 3.46Å; L671-S674 PolarHBondContact O-N 3.07Å; L671-S674 PolarHBondContact O-OG 3.47Å; I672-S674 PolarHBondContact O-N 3.4Å; S674-E676 PolarHBondContact O-N 3.45Å |
| 675 | G | 64.4 | Low | 83.4 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 72% | 0.722 | 30% | 0.301 | S | S | * | . | trans | 77.4 | 9.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | D673 | D673-G675 PolarHBondContact O-N 3.15Š| ||
| 676 | E | 65.8 | Low | 83.3 | Confident | 72 Ų | 72 | 53.8 Ų | 53.8 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -69.6 | -37.7 | -175.2 | -67.1 | -173.7 | -164.4 | 0 | 0 | 114.1 | S643 A644 L645 S674 | S643-E676 VanDerWaalsContact CA-OE1 3.3Å; S643-E676 WeakPolarHBondContact CA-OE1 3.43Å; S643-E676 PolarHBondContact OG-OE2 3.23Å; A644-E676 PolarHBondContact N-OE1 3.05Å; A644-E676 VanDerWaalsContact N-OE1 3.1Å; A644-E676 PolarHBondContact N-OE2 3.35Å; L645-E676 WeakPolarHBondContact CG-OE2 3.37Å; S674-E676 PolarHBondContact O-N 3.45Å |
| 677 | R | 71.4 | Confident | 83.2 | Confident | 170 Ų | 170 | 55.1 Ų | 55.1 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | trans | -164.6 | 145 | 179.7 | -138.2 | 173.2 | -179.3 | 168.9 | -0.4 | 112.7 | D679 | R677-D679 PolarHBondContact O-N 2.66Š| ||
| 678 | A | 62.4 | Low | 83.2 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 76% | 0.76 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -65.9 | -33.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | I680 | A678-I680 VanDerWaalsContact C-N 3.28Å; A678-I680 PolarHBondContact O-N 2.77Å |
| 679 | D | 72.1 | Confident | 83.2 | Confident | 112 Ų | 112 | 56.1 Ų | 56.1 | 60% | 0.599 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -88.8 | 17.5 | -175.2 | -49.6 | -26.5 | 0 | 0 | 0 | 113.5 | R677 T681 D682 | R677-D679 PolarHBondContact O-N 2.66Å; D679-T681 PolarHBondContact O-N 3.42Å; D679-D682 PolarHBondContact O-N 3.13Å |
| 680 | I | 82 | Confident | 83.3 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -67.4 | -27.7 | -174.1 | -161.9 | 170.1 | 0 | 0 | 0 | 112.6 | A644 L645 L656 A678 D682 V683 | A644-I680 HydrophobicContact CB-CD1 3.86Å; L645-I680 HydrophobicContact CD2-CD1 4.24Å; L645-I680 HydrophobicContact CD2-CG1 4.19Å; L656-I680 HydrophobicContact CD2-CG1 4.24Å; L656-I680 WeakPolarHBondContact CD2-O 3.5Å; A678-I680 VanDerWaalsContact C-N 3.28Å; A678-I680 PolarHBondContact O-N 2.77Å; I680-D682 VanDerWaalsContact C-N 3.34Å; I680-D682 PolarHBondContact O-N 3.31Å; I680-V683 VanDerWaalsContact O-CG2 3.27Å; I680-V683 WeakPolarHBondContact O-CG2 3.47Å |
| 681 | T | 83.9 | Confident | 83.5 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -68 | -29.3 | -180 | 44.6 | 0 | 0 | 0 | 0 | 113.5 | I672 D679 P691 L707 S712 | I672-T681 HydrophobicContact CD1-CG2 4.4Å; D679-T681 PolarHBondContact O-N 3.42Å; T681-P691 WeakPolarHBondContact O-CD 3.45Å; T681-L707 HydrophobicContact CG2-CD2 4.37Å; T681-S712 WeakPolarHBondContact CB-OG 3.44Å |
| 682 | D | 86.8 | Confident | 83.7 | Confident | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -105.8 | 17.6 | -176.1 | -71.2 | -22.4 | 0 | 0 | 0 | 113.4 | D679 I680 M684 T713 | D679-D682 PolarHBondContact O-N 3.13Å; I680-D682 VanDerWaalsContact C-N 3.34Å; I680-D682 PolarHBondContact O-N 3.31Å; D682-M684 PolarHBondContact O-N 2.85Å; D682-T713 PolarHBondContact OD1-N 3.23Å; D682-T713 PolarHBondContact OD1-OG1 3.23Å; D682-T713 VanDerWaalsContact OD1-OG1 3.08Å; D682-T713 WeakPolarHBondContact OD2-CB 3.48Å; D682-T713 VanDerWaalsContact OD2-CG2 3.22Å; D682-T713 WeakPolarHBondContact OD2-CG2 3.47Å; D682-T713 PolarHBondContact OD2-N 3.29Å; D682-T713 PolarHBondContact OD2-OG1 3.42Å |
| 683 | V | 89 | Confident | 84 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | trans | -61.6 | 130.3 | 175.8 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | T654 H657 I680 P691 | T654-V683 HydrophobicContact CG2-CG1 3.93Å; H657-V683 PolarHBondContact CE1-O 3.34Å; H657-V683 PolarHBondContact NE2-O 3.48Å; I680-V683 VanDerWaalsContact O-CG2 3.27Å; I680-V683 WeakPolarHBondContact O-CG2 3.47Å; V683-P691 VanDerWaalsContact O-CD 3.31Å; V683-P691 WeakPolarHBondContact O-CD 3.42Å | ||
| 684 | M | 90.3 | Very high | 84.4 | Confident | 84 Ų | 84 | 44.8 Ų | 44.8 | 41% | 0.414 | 25% | 0.254 | S | S | . | . | trans | -94.8 | 143.7 | 178.9 | -63.4 | 170.9 | 98.5 | 0 | 0 | 112.7 | K647 D682 G688 Q689 T690 A717 | K647-M684 PolarHBondContact NZ-O 3.34Å; D682-M684 PolarHBondContact O-N 2.85Å; M684-G688 WeakPolarHBondContact CE-O 2.96Å; M684-Q689 WeakPolarHBondContact CA-O 3.45Å; M684-T690 HydrophobicContact CG-CG2 4.46Å; M684-A717 WeakPolarHBondContact CE-O 3.32Å | ||
| 685 | D | 91.9 | Very high | 85.2 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | trans | -82 | -173.3 | 169.5 | 84.5 | -6.1 | 0 | 0 | 0 | 113.2 | R651 W653 Y687 G688 Q689 | R651-D685 WeakPolarHBondContact O-CB 3.44Å; W653-D685 PolarHBondContact NE1-OD2 3.23Å; D685-Y687 PolarHBondContact O-N 3.17Å; D685-Y687 WeakPolarHBondContact OD1-CA 3.48Å; D685-Y687 WeakPolarHBondContact OD1-CB 3.18Å; D685-Y687 PolarHBondContact OD1-N 2.94Å; D685-G688 PolarHBondContact O-N 3.32Å; D685-G688 VanDerWaalsContact O-N 3.08Å; D685-G688 PolarHBondContact OD1-N 3.31Å; D685-G688 VanDerWaalsContact OD1-N 3.08Å; D685-Q689 PolarHBondContact N-O 3.04Å; D685-Q689 WeakPolarHBondContact OD1-CB 3.48Å; D685-Q689 PolarHBondContact OD1-N 3.4Å | ||
| 686 | A | 91.6 | Very high | 86.6 | Confident | 48 Ų | 48 | 39.5 Ų | 39.5 | 40% | 0.397 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R651 K652 | R651-A686 VanDerWaalsContact O-CB 3.23Å; R651-A686 WeakPolarHBondContact O-CB 3.48Å; R651-A686 PolarHBondContact O-N 2.88Å; K652-A686 HydrophobicContact CB-CB 4.25Å; K652-A686 HydrophobicContact CG-CB 4.08Å |
| 687 | Y | 90.1 | Very high | 87.8 | Confident | 135 Ų | 135 | 39.3 Ų | 39.3 | 53% | 0.529 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 2.8 | 176.4 | -57.6 | -70.1 | 0 | 0 | 0 | 112.5 | D685 Q689 L719 | D685-Y687 PolarHBondContact O-N 3.17Å; D685-Y687 WeakPolarHBondContact OD1-CA 3.48Å; D685-Y687 WeakPolarHBondContact OD1-CB 3.18Å; D685-Y687 PolarHBondContact OD1-N 2.94Å; Y687-Q689 VanDerWaalsContact C-N 3.35Å; Y687-L719 WeakPolarHBondContact O-CB 3.4Å; Y687-L719 WeakPolarHBondContact O-CG 3.38Å; Y687-L719 PolarHBondContact O-N 3.48Å |
| 688 | G | 90.7 | Very high | 88.7 | Confident | 4 Ų | 4 | 35 Ų | 35 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 79.5 | 14.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M684 D685 D718 | M684-G688 WeakPolarHBondContact CE-O 2.96Å; D685-G688 PolarHBondContact O-N 3.32Å; D685-G688 VanDerWaalsContact O-N 3.08Å; D685-G688 PolarHBondContact OD1-N 3.31Å; D685-G688 VanDerWaalsContact OD1-N 3.08Å; G688-D718 WeakPolarHBondContact O-CA 3.24Å |
| 689 | Q | 92.4 | Very high | 90.1 | Very high | 16 Ų | 16 | 32.2 Ų | 32.2 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | trans | -83.7 | 139.2 | -178.1 | -54.7 | -176.6 | -91.6 | 0 | 0 | 110.5 | H657 M684 D685 Y687 M693 L694 D718 | H657-Q689 PolarHBondContact NE2-O 3.19Å; M684-Q689 WeakPolarHBondContact CA-O 3.45Å; D685-Q689 PolarHBondContact N-O 3.04Å; D685-Q689 WeakPolarHBondContact OD1-CB 3.48Å; D685-Q689 PolarHBondContact OD1-N 3.4Å; Y687-Q689 VanDerWaalsContact C-N 3.35Å; Q689-M693 HydrophobicContact CB-CB 4.48Å; Q689-M693 HydrophobicContact CB-SD 4.18Å; Q689-M693 HydrophobicContact CG-SD 4.49Å; Q689-L694 HydrophobicContact CB-CD2 4.42Å; Q689-D718 HydrophobicContact CG-CB 4.24Å | ||
| 690 | T | 93.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | trans | -88 | 160.5 | 171.1 | 62.7 | 0 | 0 | 0 | 0 | 111 | M684 L692 M693 L694 A716 | M684-T690 HydrophobicContact CG-CG2 4.46Å; T690-L692 PolarHBondContact O-N 2.96Å; T690-M693 WeakPolarHBondContact O-CB 3.35Å; T690-M693 PolarHBondContact O-N 2.6Å; T690-M693 VanDerWaalsContact O-N 3.07Å; T690-M693 WeakPolarHBondContact OG1-CG 3.28Å; T690-M693 PolarHBondContact OG1-N 3.41Å; T690-L694 PolarHBondContact O-N 3.24Å; T690-A716 HydrophobicContact CG2-CB 3.86Å | ||
| 691 | P | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -51.5 | -40 | 171.2 | -26.8 | 32.5 | 0 | 0 | 0 | 112.8 | L656 A660 T681 V683 M693 L694 A695 L707 | L656-P691 HydrophobicContact CD2-CB 4.4Å; L656-P691 HydrophobicContact CD2-CG 3.88Å; L656-P691 HydrophobicContact CG-CB 4.43Å; L656-P691 HydrophobicContact CG-CG 4.22Å; A660-P691 HydrophobicContact CB-CB 3.8Å; A660-P691 WeakPolarHBondContact CB-O 3.23Å; T681-P691 WeakPolarHBondContact O-CD 3.45Å; V683-P691 VanDerWaalsContact O-CD 3.31Å; V683-P691 WeakPolarHBondContact O-CD 3.42Å; P691-M693 VanDerWaalsContact C-N 3.35Å; P691-M693 PolarHBondContact O-N 2.82Å; P691-L694 PolarHBondContact O-N 2.82Å; P691-L694 VanDerWaalsContact O-N 3.09Å; P691-A695 PolarHBondContact O-N 2.87Å; P691-L707 HydrophobicContact CB-CD1 4.26Å |
| 692 | L | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.4 | -46.8 | 175.7 | 179.2 | 64.3 | 0 | 0 | 0 | 111.7 | T690 L694 A695 I696 V704 L707 L708 A724 L740 | T690-L692 PolarHBondContact O-N 2.96Å; L692-L694 VanDerWaalsContact C-N 3.27Å; L692-L694 PolarHBondContact O-N 3.08Å; L692-A695 PolarHBondContact O-N 3.22Å; L692-I696 HydrophobicContact CD1-CD1 4.11Å; L692-I696 HydrophobicContact CG-CD1 3.98Å; L692-I696 WeakPolarHBondContact O-CD1 3.31Å; L692-I696 VanDerWaalsContact O-CG1 3.32Å; L692-I696 WeakPolarHBondContact O-CG1 3.35Å; L692-I696 PolarHBondContact O-N 3.37Å; L692-I696 VanDerWaalsContact O-N 3.09Å; L692-V704 HydrophobicContact CD1-CB 4.39Å; L692-V704 HydrophobicContact CD1-CG1 3.98Å; L692-V704 HydrophobicContact CD1-CG2 4.31Å; L692-L707 HydrophobicContact CB-CD1 4.32Å; L692-L707 HydrophobicContact CD1-CB 4.19Å; L692-L707 HydrophobicContact CD1-CD1 4.5Å; L692-L708 HydrophobicContact CD1-CD2 4.32Å; L692-L708 HydrophobicContact CD1-CG 4.15Å; L692-L708 HydrophobicContact CD2-CD2 3.9Å; L692-A724 HydrophobicContact CD2-CB 4.27Å; L692-A724 HydrophobicContact CG-CB 4.45Å; L692-L740 HydrophobicContact CD2-CD2 4.2Å |
| 693 | M | 93.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -34.8 | 177.3 | -66.6 | 178.7 | -171.1 | 0 | 0 | 112.9 | Q689 T690 P691 M697 A716 D718 R722 | Q689-M693 HydrophobicContact CB-CB 4.48Å; Q689-M693 HydrophobicContact CB-SD 4.18Å; Q689-M693 HydrophobicContact CG-SD 4.49Å; T690-M693 WeakPolarHBondContact O-CB 3.35Å; T690-M693 PolarHBondContact O-N 2.6Å; T690-M693 VanDerWaalsContact O-N 3.07Å; T690-M693 WeakPolarHBondContact OG1-CG 3.28Å; T690-M693 PolarHBondContact OG1-N 3.41Å; P691-M693 VanDerWaalsContact C-N 3.35Å; P691-M693 PolarHBondContact O-N 2.82Å; M693-M697 VanDerWaalsContact O-CB 3.28Å; M693-M697 WeakPolarHBondContact O-CB 3.44Å; M693-M697 PolarHBondContact O-N 3.17Å; M693-A716 VanDerWaalsContact CE-C 3.46Å; M693-A716 HydrophobicContact CE-CB 4.21Å; M693-A716 WeakPolarHBondContact CE-O 3.33Å; M693-D718 HydrophobicContact SD-CB 4.19Å; M693-R722 WeakPolarHBondContact CE-O 3.41Å |
| 694 | L | 93.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.1 | -40.1 | 178.2 | -64.1 | -178.1 | 0 | 0 | 0 | 111.8 | W653 H657 A661 Q689 T690 P691 L692 I696 M697 N698 | W653-L694 HydrophobicContact CH2-CD1 4.44Å; W653-L694 HydrophobicContact CZ2-CD1 3.79Å; W653-L694 HydrophobicContact CZ2-CD2 4.25Å; H657-L694 HydrophobicContact CB-CD1 3.93Å; A661-L694 HydrophobicContact CB-CB 4.15Å; A661-L694 HydrophobicContact CB-CD1 4.36Å; Q689-L694 HydrophobicContact CB-CD2 4.42Å; T690-L694 PolarHBondContact O-N 3.24Å; P691-L694 PolarHBondContact O-N 2.82Å; P691-L694 VanDerWaalsContact O-N 3.09Å; L692-L694 VanDerWaalsContact C-N 3.27Å; L692-L694 PolarHBondContact O-N 3.08Å; L694-I696 VanDerWaalsContact C-N 3.34Å; L694-I696 PolarHBondContact O-N 3.08Å; L694-M697 HydrophobicContact CD2-CE 3.83Å; L694-M697 PolarHBondContact O-N 2.98Å; L694-N698 PolarHBondContact O-N 3.48Å |
| 695 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A660 P691 L692 N698 G699 H700 C703 V704 L707 | A660-A695 HydrophobicContact CB-CB 4.25Å; A660-A695 WeakPolarHBondContact O-CA 3.28Å; P691-A695 PolarHBondContact O-N 2.87Å; L692-A695 PolarHBondContact O-N 3.22Å; A695-N698 PolarHBondContact O-N 3.31Å; A695-G699 PolarHBondContact O-N 3.24Å; A695-H700 PolarHBondContact O-N 3.07Å; A695-C703 HydrophobicContact CB-CB 4Å; A695-V704 HydrophobicContact CB-CG2 3.86Å; A695-L707 HydrophobicContact CB-CD1 4.34Å |
| 696 | I | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | 177.9 | -63 | 157.5 | 0 | 0 | 0 | 111.5 | L692 L694 N698 G699 V704 A724 R727 G728 T731 C736 L740 | L692-I696 HydrophobicContact CD1-CD1 4.11Å; L692-I696 HydrophobicContact CG-CD1 3.98Å; L692-I696 WeakPolarHBondContact O-CD1 3.31Å; L692-I696 VanDerWaalsContact O-CG1 3.32Å; L692-I696 WeakPolarHBondContact O-CG1 3.35Å; L692-I696 PolarHBondContact O-N 3.37Å; L692-I696 VanDerWaalsContact O-N 3.09Å; L694-I696 VanDerWaalsContact C-N 3.34Å; L694-I696 PolarHBondContact O-N 3.08Å; I696-N698 PolarHBondContact O-N 3.34Å; I696-G699 PolarHBondContact O-N 3.27Å; I696-G699 VanDerWaalsContact O-N 3.09Å; I696-V704 HydrophobicContact CG1-CG1 4.4Å; I696-V704 HydrophobicContact CG1-CG2 3.49Å; I696-V704 VanDerWaalsContact CG1-CG2 3.49Å; I696-A724 HydrophobicContact CD1-CB 3.51Å; I696-R727 HydrophobicContact CG2-CB 4.15Å; I696-G728 VanDerWaalsContact CG2-N 3.32Å; I696-T731 WeakPolarHBondContact O-CG2 3.41Å; I696-C736 HydrophobicContact CG1-CB 4.43Å; I696-C736 HydrophobicContact CG2-CB 4.33Å; I696-L740 HydrophobicContact CD1-CD1 3.76Å; I696-L740 HydrophobicContact CD1-CD2 4.12Å; I696-L740 HydrophobicContact CD1-CG 4.3Å |
| 697 | M | 91.5 | Very high | 92.9 | Very high | 68 Ų | 68 | 29.9 Ų | 29.9 | 34% | 0.335 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.8 | -29.5 | -179.4 | -171.5 | 175.2 | 70.1 | 0 | 0 | 112.3 | M693 L694 T731 | M693-M697 VanDerWaalsContact O-CB 3.28Å; M693-M697 WeakPolarHBondContact O-CB 3.44Å; M693-M697 PolarHBondContact O-N 3.17Å; L694-M697 HydrophobicContact CD2-CE 3.83Å; L694-M697 PolarHBondContact O-N 2.98Å; M697-T731 VanDerWaalsContact O-CG2 3.28Å; M697-T731 WeakPolarHBondContact O-CG2 3.27Å |
| 698 | N | 91.1 | Very high | 93 | Very high | 79 Ų | 79 | 23.9 Ų | 23.9 | 42% | 0.422 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -101.9 | 1.1 | 178 | -65 | -17.1 | 0 | 0 | 0 | 113.5 | A661 L694 A695 I696 H700 | A661-N698 PolarHBondContact O-ND2 3.09Å; L694-N698 PolarHBondContact O-N 3.48Å; A695-N698 PolarHBondContact O-N 3.31Å; I696-N698 PolarHBondContact O-N 3.34Å; N698-H700 WeakPolarHBondContact CB-NE2 3.4Å |
| 699 | G | 91.6 | Very high | 92.9 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 35% | 0.351 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 28.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A695 I696 V701 | A695-G699 PolarHBondContact O-N 3.24Å; I696-G699 PolarHBondContact O-N 3.27Å; I696-G699 VanDerWaalsContact O-N 3.09Å; G699-V701 PolarHBondContact O-N 3.09Å |
| 700 | H | 94.4 | Very high | 92.7 | Very high | 54 Ų | 54 | 33.2 Ų | 33.2 | 25% | 0.25 | 17% | 0.173 | C | C | . | . | trans | -91 | 83.6 | -178.2 | -59.4 | -53.4 | 0 | 0 | 0 | 111.9 | A660 A661 G663 A695 N698 D702 C703 V704 | A660-H700 PolarHBondContact O-CD2 2.99Å; A661-H700 PolarHBondContact O-NE2 2.94Å; G663-H700 VanDerWaalsContact CA-CD2 3.43Å; G663-H700 WeakPolarHBondContact CA-CD2 3.45Å; G663-H700 PolarHBondContact N-CD2 3.01Å; G663-H700 PolarHBondContact N-NE2 3Å; A695-H700 PolarHBondContact O-N 3.07Å; N698-H700 WeakPolarHBondContact CB-NE2 3.4Å; H700-D702 PolarHBondContact O-N 2.92Å; H700-C703 HydrophobicContact CB-CB 4.01Å; H700-C703 PolarHBondContact O-N 3.29Å; H700-V704 WeakPolarHBondContact O-CG2 3.35Å; H700-V704 PolarHBondContact O-N 3.28Å; H700-V704 VanDerWaalsContact O-N 3.11Å | ||
| 701 | V | 93.1 | Very high | 92.3 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 19% | 0.188 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.7 | -46.5 | -174.8 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | G699 C703 V704 H705 D735 | G699-V701 PolarHBondContact O-N 3.09Å; V701-C703 VanDerWaalsContact C-N 3.33Å; V701-C703 PolarHBondContact O-N 3.49Å; V701-V704 WeakPolarHBondContact O-CA 3.21Å; V701-V704 WeakPolarHBondContact O-CB 3.4Å; V701-V704 PolarHBondContact O-N 3.41Å; V701-H705 PolarHBondContact O-CD2 3.31Å; V701-H705 PolarHBondContact O-N 3.38Å; V701-D735 HydrophobicContact CG1-CB 3.8Å; V701-D735 HydrophobicContact CG2-CB 3.87Å |
| 702 | D | 93.3 | Very high | 92.1 | Very high | 115 Ų | 115 | 36 Ų | 36 | 62% | 0.615 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -65.1 | -36.9 | -178.4 | -56 | -34.3 | 0 | 0 | 0 | 112.2 | T665 H700 V704 L706 | T665-D702 HydrophobicContact CG2-CB 3.44Å; T665-D702 VanDerWaalsContact CG2-CB 3.44Å; H700-D702 PolarHBondContact O-N 2.92Å; D702-V704 VanDerWaalsContact C-N 3.29Å; D702-V704 PolarHBondContact O-N 3.3Å; D702-L706 WeakPolarHBondContact O-CB 3.14Å; D702-L706 PolarHBondContact O-N 3.34Å |
| 703 | C | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -35 | 172.8 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | G663 L668 A695 H700 V701 L707 | G663-C703 VanDerWaalsContact C-SG 3.6Å; L668-C703 HydrophobicContact CD2-CB 3.87Å; A695-C703 HydrophobicContact CB-CB 4Å; H700-C703 HydrophobicContact CB-CB 4.01Å; H700-C703 PolarHBondContact O-N 3.29Å; V701-C703 VanDerWaalsContact C-N 3.33Å; V701-C703 PolarHBondContact O-N 3.49Å; C703-L707 VanDerWaalsContact O-CB 3.3Å; C703-L707 WeakPolarHBondContact O-CB 3.4Å; C703-L707 WeakPolarHBondContact O-CD1 3.37Å; C703-L707 WeakPolarHBondContact O-CG 3.3Å; C703-L707 PolarHBondContact O-N 3.31Å |
| 704 | V | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.1 | -48.9 | 177.4 | 171 | 0 | 0 | 0 | 0 | 110.6 | L692 A695 I696 H700 V701 D702 L706 L707 L708 A739 | L692-V704 HydrophobicContact CD1-CB 4.39Å; L692-V704 HydrophobicContact CD1-CG1 3.98Å; L692-V704 HydrophobicContact CD1-CG2 4.31Å; A695-V704 HydrophobicContact CB-CG2 3.86Å; I696-V704 HydrophobicContact CG1-CG1 4.4Å; I696-V704 HydrophobicContact CG1-CG2 3.49Å; I696-V704 VanDerWaalsContact CG1-CG2 3.49Å; H700-V704 WeakPolarHBondContact O-CG2 3.35Å; H700-V704 PolarHBondContact O-N 3.28Å; H700-V704 VanDerWaalsContact O-N 3.11Å; V701-V704 WeakPolarHBondContact O-CA 3.21Å; V701-V704 WeakPolarHBondContact O-CB 3.4Å; V701-V704 PolarHBondContact O-N 3.41Å; D702-V704 VanDerWaalsContact C-N 3.29Å; D702-V704 PolarHBondContact O-N 3.3Å; V704-L706 PolarHBondContact O-N 3.11Å; V704-L707 PolarHBondContact O-N 3.25Å; V704-L708 HydrophobicContact CG1-CD1 3.76Å; V704-L708 HydrophobicContact CG1-CG 4.47Å; V704-L708 WeakPolarHBondContact O-CB 3.01Å; V704-L708 VanDerWaalsContact O-CG 3.3Å; V704-L708 WeakPolarHBondContact O-CG 3.27Å; V704-L708 PolarHBondContact O-N 2.99Å; V704-A739 HydrophobicContact CG1-CB 4.09Å |
| 705 | H | 93.1 | Very high | 91.3 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 32% | 0.319 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58 | -49.6 | 175.3 | -76.5 | -67.7 | 0 | 0 | 0 | 111.6 | V701 L707 L708 E709 A739 | V701-H705 PolarHBondContact O-CD2 3.31Å; V701-H705 PolarHBondContact O-N 3.38Å; H705-L707 VanDerWaalsContact C-N 3.32Å; H705-L707 PolarHBondContact O-N 2.74Å; H705-L708 PolarHBondContact O-N 3.28Å; H705-E709 WeakPolarHBondContact O-CB 3.31Å; H705-E709 WeakPolarHBondContact O-CG 3.47Å; H705-E709 PolarHBondContact O-N 3.32Å; H705-A739 VanDerWaalsContact CE1-CB 3.41Å; H705-A739 WeakPolarHBondContact CE1-CB 3.44Å |
| 706 | L | 92.2 | Very high | 91.1 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | -179.8 | 179.1 | 60.9 | 0 | 0 | 0 | 112.4 | L668 H669 D702 V704 K710 | L668-L706 HydrophobicContact CB-CD2 4.21Å; L668-L706 HydrophobicContact CD2-CD2 4.13Å; L668-L706 HydrophobicContact CG-CD2 4.3Å; H669-L706 HydrophobicContact CB-CD2 3.85Å; D702-L706 WeakPolarHBondContact O-CB 3.14Å; D702-L706 PolarHBondContact O-N 3.34Å; V704-L706 PolarHBondContact O-N 3.11Å; L706-K710 HydrophobicContact CD1-CG 4.08Å; L706-K710 WeakPolarHBondContact O-CB 3.38Å; L706-K710 WeakPolarHBondContact O-CG 3.45Å; L706-K710 PolarHBondContact O-N 3.03Å; L706-K710 VanDerWaalsContact O-N 3.07Å |
| 707 | L | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 178.2 | -78 | 169.6 | 0 | 0 | 0 | 112.2 | A660 L668 I672 T681 P691 L692 A695 C703 V704 H705 K710 G711 S712 | A660-L707 HydrophobicContact CB-CD1 4.24Å; L668-L707 HydrophobicContact CD1-CD2 4.42Å; L668-L707 HydrophobicContact CD2-CD1 4.11Å; L668-L707 HydrophobicContact CD2-CD2 4.17Å; L668-L707 HydrophobicContact CD2-CG 3.82Å; L668-L707 HydrophobicContact CG-CD2 4.49Å; I672-L707 HydrophobicContact CD1-CD2 3.99Å; T681-L707 HydrophobicContact CG2-CD2 4.37Å; P691-L707 HydrophobicContact CB-CD1 4.26Å; L692-L707 HydrophobicContact CB-CD1 4.32Å; L692-L707 HydrophobicContact CD1-CB 4.19Å; L692-L707 HydrophobicContact CD1-CD1 4.5Å; A695-L707 HydrophobicContact CB-CD1 4.34Å; C703-L707 VanDerWaalsContact O-CB 3.3Å; C703-L707 WeakPolarHBondContact O-CB 3.4Å; C703-L707 WeakPolarHBondContact O-CD1 3.37Å; C703-L707 WeakPolarHBondContact O-CG 3.3Å; C703-L707 PolarHBondContact O-N 3.31Å; V704-L707 PolarHBondContact O-N 3.25Å; H705-L707 VanDerWaalsContact C-N 3.32Å; H705-L707 PolarHBondContact O-N 2.74Å; L707-K710 PolarHBondContact O-N 2.83Å; L707-G711 PolarHBondContact O-N 2.83Å; L707-S712 VanDerWaalsContact C-OG 3.24Å; L707-S712 WeakPolarHBondContact CB-OG 3.32Å; L707-S712 WeakPolarHBondContact O-CB 3.36Å; L707-S712 PolarHBondContact O-N 3.14Å; L707-S712 PolarHBondContact O-OG 3.11Å |
| 708 | L | 91.4 | Very high | 90.9 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.9 | -42.7 | 178.1 | -70.1 | 169.7 | 0 | 0 | 0 | 111.7 | L692 V704 H705 K710 G711 A714 A739 L740 H743 | L692-L708 HydrophobicContact CD1-CD2 4.32Å; L692-L708 HydrophobicContact CD1-CG 4.15Å; L692-L708 HydrophobicContact CD2-CD2 3.9Å; V704-L708 HydrophobicContact CG1-CD1 3.76Å; V704-L708 HydrophobicContact CG1-CG 4.47Å; V704-L708 WeakPolarHBondContact O-CB 3.01Å; V704-L708 VanDerWaalsContact O-CG 3.3Å; V704-L708 WeakPolarHBondContact O-CG 3.27Å; V704-L708 PolarHBondContact O-N 2.99Å; H705-L708 PolarHBondContact O-N 3.28Å; L708-K710 VanDerWaalsContact C-N 3.26Å; L708-K710 PolarHBondContact O-N 3.44Å; L708-G711 PolarHBondContact O-N 3.37Å; L708-A714 HydrophobicContact CD2-CB 4.25Å; L708-A739 HydrophobicContact CD1-CB 4.13Å; L708-L740 HydrophobicContact CD1-CD2 4.29Å; L708-L740 HydrophobicContact CD2-CD2 4.31Å; L708-H743 HydrophobicContact CD2-CB 4.3Å |
| 709 | E | 89.5 | Confident | 90.8 | Very high | 139 Ų | 139 | 46.5 Ų | 46.5 | 65% | 0.65 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.4 | -37.4 | 174.1 | -75.4 | 179.2 | 179.9 | 0 | 0 | 112.4 | H705 G711 | H705-E709 WeakPolarHBondContact O-CB 3.31Å; H705-E709 WeakPolarHBondContact O-CG 3.47Å; H705-E709 PolarHBondContact O-N 3.32Å; E709-G711 PolarHBondContact O-N 3.34Å |
| 710 | K | 87.6 | Confident | 90.7 | Very high | 77 Ų | 77 | 51.5 Ų | 51.5 | 34% | 0.335 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 10.1 | 177.9 | -62.5 | -76.1 | -177.5 | 160.2 | 0 | 113.4 | I672 D673 L706 L707 L708 | I672-K710 HydrophobicContact CD1-CB 4.33Å; I672-K710 HydrophobicContact CD1-CG 4.28Å; I672-K710 HydrophobicContact CG2-CB 4.04Å; I672-K710 HydrophobicContact CG2-CD 3.94Å; I672-K710 HydrophobicContact CG2-CG 3.99Å; D673-K710 IonicContact OD1-NZ 3.59Å; D673-K710 PolarHBondContact OD1-NZ 3.16Å; D673-K710 IonicContact OD2-NZ 3.52Å; L706-K710 HydrophobicContact CD1-CG 4.08Å; L706-K710 WeakPolarHBondContact O-CB 3.38Å; L706-K710 WeakPolarHBondContact O-CG 3.45Å; L706-K710 PolarHBondContact O-N 3.03Å; L706-K710 VanDerWaalsContact O-N 3.07Å; L707-K710 PolarHBondContact O-N 2.83Å; L708-K710 VanDerWaalsContact C-N 3.26Å; L708-K710 PolarHBondContact O-N 3.44Å |
| 711 | G | 86.2 | Confident | 90.4 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 54% | 0.536 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 26.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L707 L708 E709 | L707-G711 PolarHBondContact O-N 2.83Å; L708-G711 PolarHBondContact O-N 3.37Å; E709-G711 PolarHBondContact O-N 3.34Å |
| 712 | S | 88.9 | Confident | 90.3 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | trans | -66.9 | 140.9 | 172.4 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | T681 L707 A714 | T681-S712 WeakPolarHBondContact CB-OG 3.44Å; L707-S712 VanDerWaalsContact C-OG 3.24Å; L707-S712 WeakPolarHBondContact CB-OG 3.32Å; L707-S712 WeakPolarHBondContact O-CB 3.36Å; L707-S712 PolarHBondContact O-N 3.14Å; L707-S712 PolarHBondContact O-OG 3.11Å; S712-A714 PolarHBondContact O-N 2.71Å | ||
| 713 | T | 89.8 | Confident | 90.3 | Very high | 68 Ų | 68 | 45.8 Ų | 45.8 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | trans | -80.2 | 114 | 179.2 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | D682 D715 A716 | D682-T713 PolarHBondContact OD1-N 3.23Å; D682-T713 PolarHBondContact OD1-OG1 3.23Å; D682-T713 VanDerWaalsContact OD1-OG1 3.08Å; D682-T713 WeakPolarHBondContact OD2-CB 3.48Å; D682-T713 VanDerWaalsContact OD2-CG2 3.22Å; D682-T713 WeakPolarHBondContact OD2-CG2 3.47Å; D682-T713 PolarHBondContact OD2-N 3.29Å; D682-T713 PolarHBondContact OD2-OG1 3.42Å; T713-D715 VanDerWaalsContact C-N 3.33Å; T713-D715 PolarHBondContact O-N 3.28Å; T713-A716 PolarHBondContact O-N 3.03Å | ||
| 714 | A | 88.1 | Confident | 90.2 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L708 S712 A724 L740 A745 | L708-A714 HydrophobicContact CD2-CB 4.25Å; S712-A714 PolarHBondContact O-N 2.71Å; A714-A724 WeakPolarHBondContact O-CB 3.37Å; A714-L740 HydrophobicContact CB-CD2 4.01Å; A714-A745 HydrophobicContact CB-CB 3.86Å |
| 715 | D | 87.7 | Confident | 90.1 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 43% | 0.428 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 7.3 | -177.2 | -67.8 | -32.7 | 0 | 0 | 0 | 114.2 | T713 A717 F746 | T713-D715 VanDerWaalsContact C-N 3.33Å; T713-D715 PolarHBondContact O-N 3.28Å; D715-A717 PolarHBondContact O-N 2.82Å; D715-F746 PolarHBondContact OD1-N 2.9Å |
| 716 | A | 89.4 | Confident | 90.1 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | trans | -54.9 | 139.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | T690 M693 T713 T723 | T690-A716 HydrophobicContact CG2-CB 3.86Å; M693-A716 VanDerWaalsContact CE-C 3.46Å; M693-A716 HydrophobicContact CE-CB 4.21Å; M693-A716 WeakPolarHBondContact CE-O 3.33Å; T713-A716 PolarHBondContact O-N 3.03Å; A716-T723 WeakPolarHBondContact O-CA 3.43Å | ||
| 717 | A | 89.8 | Confident | 90 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 37% | 0.372 | 24% | 0.238 | S | C | . | . | trans | -117.9 | 137.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | M684 D715 | M684-A717 WeakPolarHBondContact CE-O 3.32Å; D715-A717 PolarHBondContact O-N 2.82Å | ||
| 718 | D | 91.7 | Very high | 90 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | trans | -72.5 | 177.4 | 173.7 | 78.7 | 3.5 | 0 | 0 | 0 | 112.2 | G688 Q689 M693 R720 G721 R722 R727 | G688-D718 WeakPolarHBondContact O-CA 3.24Å; Q689-D718 HydrophobicContact CG-CB 4.24Å; M693-D718 HydrophobicContact SD-CB 4.19Å; D718-R720 PolarHBondContact O-N 3.4Å; D718-R720 VanDerWaalsContact OD1-CA 3.29Å; D718-R720 WeakPolarHBondContact OD1-CA 3.3Å; D718-R720 WeakPolarHBondContact OD1-CB 3.32Å; D718-R720 PolarHBondContact OD1-N 3.07Å; D718-G721 PolarHBondContact O-N 3.08Å; D718-G721 PolarHBondContact OD1-N 3.34Å; D718-R722 PolarHBondContact N-O 2.91Å; D718-R722 WeakPolarHBondContact OD1-CB 3.16Å; D718-R722 PolarHBondContact OD1-N 3.36Å; D718-R722 IonicContact OD1-NE 2.91Å; D718-R722 IonicContact OD2-CZ 3.86Å; D718-R722 IonicContact OD2-NE 3.69Å; D718-R722 PolarHBondContact OD2-NE 3.33Å; D718-R722 IonicContact OD2-NH2 3.87Å; D718-R722 PolarHBondContact OD2-NH2 3.39Å; D718-R727 IonicContact OD2-CZ 3.75Å; D718-R727 IonicContact OD2-NH2 2.82Å; D718-R727 PolarHBondContact OD2-NH2 3.24Å | ||
| 719 | L | 90.6 | Very high | 90 | Very high | 136 Ų | 136 | 42.7 Ų | 42.7 | 71% | 0.712 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -12.7 | 178.7 | -69.6 | 177.7 | 0 | 0 | 0 | 114.2 | Y687 | Y687-L719 WeakPolarHBondContact O-CB 3.4Å; Y687-L719 WeakPolarHBondContact O-CG 3.38Å; Y687-L719 PolarHBondContact O-N 3.48Å |
| 720 | R | 88.8 | Confident | 90.2 | Very high | 138 Ų | 138 | 39.4 Ų | 39.4 | 52% | 0.521 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 11.7 | 175.5 | -66.3 | -172.5 | 178.5 | 176.6 | -2.1 | 112.2 | D718 R722 F752 | D718-R720 PolarHBondContact O-N 3.4Å; D718-R720 VanDerWaalsContact OD1-CA 3.29Å; D718-R720 WeakPolarHBondContact OD1-CA 3.3Å; D718-R720 WeakPolarHBondContact OD1-CB 3.32Å; D718-R720 PolarHBondContact OD1-N 3.07Å; R720-R722 HydrophobicContact CB-CG 4.44Å; R720-R722 PolarHBondContact O-N 2.87Å; R720-F752 HydrophobicContact CB-CD1 3.7Å; R720-F752 HydrophobicContact CB-CE1 4.08Å; R720-F752 HydrophobicContact CB-CG 4.47Å; R720-F752 HydrophobicContact CG-CD1 4.25Å; R720-F752 HydrophobicContact CG-CE1 4.28Å; R720-F752 WeakPolarHBondContact O-CB 3.3Å; R720-F752 VanDerWaalsContact O-CD1 3.32Å; R720-F752 WeakPolarHBondContact O-CD1 3.48Å; R720-F752 PolarHBondContact O-N 3.07Å |
| 721 | G | 88.3 | Confident | 90.3 | Very high | 25 Ų | 25 | 38 Ų | 38 | 26% | 0.258 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 71.7 | 14.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D718 | D718-G721 PolarHBondContact O-N 3.08Å; D718-G721 PolarHBondContact OD1-N 3.34Å |
| 722 | R | 91.1 | Very high | 90.5 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 18% | 0.181 | 21% | 0.209 | C | C | . | . | trans | -88 | 125.8 | -179.9 | -63.1 | 174.6 | -66.4 | 179.1 | -1.5 | 110.1 | M693 D718 R720 H726 D751 | M693-R722 WeakPolarHBondContact CE-O 3.41Å; D718-R722 PolarHBondContact N-O 2.91Å; D718-R722 WeakPolarHBondContact OD1-CB 3.16Å; D718-R722 PolarHBondContact OD1-N 3.36Å; D718-R722 IonicContact OD1-NE 2.91Å; D718-R722 IonicContact OD2-CZ 3.86Å; D718-R722 IonicContact OD2-NE 3.69Å; D718-R722 PolarHBondContact OD2-NE 3.33Å; D718-R722 IonicContact OD2-NH2 3.87Å; D718-R722 PolarHBondContact OD2-NH2 3.39Å; R720-R722 HydrophobicContact CB-CG 4.44Å; R720-R722 PolarHBondContact O-N 2.87Å; R722-H726 HydrophobicContact CB-CB 3.98Å; R722-H726 HydrophobicContact CG-CB 4.37Å; R722-D751 HydrophobicContact CG-CB 3.89Å | ||
| 723 | T | 92.8 | Very high | 90.5 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | trans | -86.2 | 175.1 | 174.6 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | A716 L725 H726 R727 C749 | A716-T723 WeakPolarHBondContact O-CA 3.43Å; T723-L725 VanDerWaalsContact C-N 3.26Å; T723-L725 PolarHBondContact O-N 3.13Å; T723-H726 PolarHBondContact N-ND1 3.45Å; T723-H726 WeakPolarHBondContact O-CB 3.44Å; T723-H726 PolarHBondContact O-N 2.87Å; T723-H726 VanDerWaalsContact O-N 3.17Å; T723-H726 PolarHBondContact OG1-ND1 3.33Å; T723-R727 PolarHBondContact O-N 3.35Å; T723-C749 HydrophobicContact CG2-CB 3.93Å; T723-C749 PolarHBondContact OG1-SG 3.41Å | ||
| 724 | A | 91.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -52.6 | -42.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L692 I696 A714 H726 R727 G728 L740 | L692-A724 HydrophobicContact CD2-CB 4.27Å; L692-A724 HydrophobicContact CG-CB 4.45Å; I696-A724 HydrophobicContact CD1-CB 3.51Å; A714-A724 WeakPolarHBondContact O-CB 3.37Å; A724-H726 VanDerWaalsContact C-N 3.35Å; A724-H726 PolarHBondContact O-N 3.3Å; A724-R727 WeakPolarHBondContact O-CB 3.3Å; A724-R727 PolarHBondContact O-N 3.43Å; A724-G728 PolarHBondContact O-N 2.96Å; A724-L740 HydrophobicContact CB-CD1 3.97Å; A724-L740 HydrophobicContact CB-CD2 3.76Å |
| 725 | L | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | 177.1 | -78.2 | 171.3 | 0 | 0 | 0 | 113 | T723 R727 G728 A729 L737 L740 L741 A745 F746 P757 L773 | T723-L725 VanDerWaalsContact C-N 3.26Å; T723-L725 PolarHBondContact O-N 3.13Å; L725-R727 PolarHBondContact O-N 2.93Å; L725-G728 PolarHBondContact O-N 3.47Å; L725-A729 VanDerWaalsContact O-CB 3.28Å; L725-A729 WeakPolarHBondContact O-CB 3.32Å; L725-A729 PolarHBondContact O-N 3.46Å; L725-L737 HydrophobicContact CD2-CG 4.14Å; L725-L740 HydrophobicContact CD2-CB 3.96Å; L725-L740 HydrophobicContact CD2-CD1 3.89Å; L725-L740 HydrophobicContact CG-CB 4.46Å; L725-L740 HydrophobicContact CG-CD1 4.17Å; L725-L741 HydrophobicContact CD2-CD2 4.3Å; L725-A745 HydrophobicContact CD1-CB 3.63Å; L725-A745 HydrophobicContact CD2-CB 4.48Å; L725-A745 HydrophobicContact CG-CB 3.99Å; L725-F746 VanDerWaalsContact CD1-O 3.32Å; L725-F746 WeakPolarHBondContact CD1-O 3.2Å; L725-P757 HydrophobicContact CB-CB 4.4Å; L725-P757 HydrophobicContact CB-CG 3.88Å; L725-L773 HydrophobicContact CD2-CD2 4.32Å |
| 726 | H | 92.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -33.2 | 175.3 | -71.8 | 91.4 | 0 | 0 | 0 | 112.2 | R722 T723 A724 V730 C749 R755 L760 | R722-H726 HydrophobicContact CB-CB 3.98Å; R722-H726 HydrophobicContact CG-CB 4.37Å; T723-H726 PolarHBondContact N-ND1 3.45Å; T723-H726 WeakPolarHBondContact O-CB 3.44Å; T723-H726 PolarHBondContact O-N 2.87Å; T723-H726 VanDerWaalsContact O-N 3.17Å; T723-H726 PolarHBondContact OG1-ND1 3.33Å; A724-H726 VanDerWaalsContact C-N 3.35Å; A724-H726 PolarHBondContact O-N 3.3Å; H726-V730 WeakPolarHBondContact O-CG2 3.32Å; H726-V730 PolarHBondContact O-N 2.98Å; H726-C749 PolarHBondContact CE1-O 2.99Å; H726-C749 PolarHBondContact CE1-SG 3.37Å; H726-C749 PolarHBondContact NE2-O 3.12Å; H726-R755 PolarHBondContact NE2-O 3Å; H726-L760 HydrophobicContact CB-CD1 3.99Å |
| 727 | R | 91.4 | Very high | 90.8 | Very high | 30 Ų | 30 | 38.1 Ų | 38.1 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.1 | -45.8 | 177.6 | -60 | -55.4 | -176.1 | 136 | 10.1 | 110.9 | I696 D718 T723 A724 L725 A729 V730 T731 | I696-R727 HydrophobicContact CG2-CB 4.15Å; D718-R727 IonicContact OD2-CZ 3.75Å; D718-R727 IonicContact OD2-NH2 2.82Å; D718-R727 PolarHBondContact OD2-NH2 3.24Å; T723-R727 PolarHBondContact O-N 3.35Å; A724-R727 WeakPolarHBondContact O-CB 3.3Å; A724-R727 PolarHBondContact O-N 3.43Å; L725-R727 PolarHBondContact O-N 2.93Å; R727-A729 VanDerWaalsContact C-N 3.27Å; R727-A729 PolarHBondContact O-N 3.18Å; R727-V730 PolarHBondContact O-N 3.49Å; R727-T731 WeakPolarHBondContact O-CG2 3.07Å; R727-T731 PolarHBondContact O-N 2.96Å; R727-T731 PolarHBondContact O-OG1 3.46Å |
| 728 | G | 91.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I696 A724 L725 V730 T731 G732 | I696-G728 VanDerWaalsContact CG2-N 3.32Å; A724-G728 PolarHBondContact O-N 2.96Å; L725-G728 PolarHBondContact O-N 3.47Å; G728-V730 VanDerWaalsContact C-N 3.26Å; G728-V730 PolarHBondContact O-N 2.94Å; G728-T731 WeakPolarHBondContact CA-OG1 3.38Å; G728-T731 PolarHBondContact O-N 3.36Å; G728-T731 PolarHBondContact O-OG1 2.89Å; G728-G732 PolarHBondContact O-N 3.1Å |
| 729 | A | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -25.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L725 R727 P757 L760 A761 H766 L773 | L725-A729 VanDerWaalsContact O-CB 3.28Å; L725-A729 WeakPolarHBondContact O-CB 3.32Å; L725-A729 PolarHBondContact O-N 3.46Å; R727-A729 VanDerWaalsContact C-N 3.27Å; R727-A729 PolarHBondContact O-N 3.18Å; A729-P757 HydrophobicContact CB-CB 3.91Å; A729-P757 WeakPolarHBondContact CB-O 3.42Å; A729-L760 HydrophobicContact CB-CB 4.32Å; A729-A761 HydrophobicContact CB-CB 4.2Å; A729-A761 WeakPolarHBondContact O-CA 3.43Å; A729-H766 PolarHBondContact O-CD2 3.22Å; A729-L773 HydrophobicContact CB-CD1 4.24Å |
| 730 | V | 92 | Very high | 90.8 | Very high | 69 Ų | 69 | 30.9 Ų | 30.9 | 42% | 0.418 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -85 | -39.1 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | H726 R727 G728 L760 H766 | H726-V730 WeakPolarHBondContact O-CG2 3.32Å; H726-V730 PolarHBondContact O-N 2.98Å; R727-V730 PolarHBondContact O-N 3.49Å; G728-V730 VanDerWaalsContact C-N 3.26Å; G728-V730 PolarHBondContact O-N 2.94Å; V730-L760 HydrophobicContact CG2-CB 3.94Å; V730-L760 HydrophobicContact CG2-CD1 3.84Å; V730-L760 HydrophobicContact CG2-CG 4.34Å; V730-H766 PolarHBondContact O-NE2 3.42Å |
| 731 | T | 91 | Very high | 90.8 | Very high | 48 Ų | 48 | 26 Ų | 26 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -74.1 | -29 | -179.5 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | I696 M697 R727 G728 C733 | I696-T731 WeakPolarHBondContact O-CG2 3.41Å; M697-T731 VanDerWaalsContact O-CG2 3.28Å; M697-T731 WeakPolarHBondContact O-CG2 3.27Å; R727-T731 WeakPolarHBondContact O-CG2 3.07Å; R727-T731 PolarHBondContact O-N 2.96Å; R727-T731 PolarHBondContact O-OG1 3.46Å; G728-T731 WeakPolarHBondContact CA-OG1 3.38Å; G728-T731 PolarHBondContact O-N 3.36Å; G728-T731 PolarHBondContact O-OG1 2.89Å; T731-C733 VanDerWaalsContact C-N 3.34Å |
| 732 | G | 89.9 | Confident | 90.8 | Very high | 24 Ų | 24 | 30.9 Ų | 30.9 | 25% | 0.247 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 14.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G728 E734 H766 | G728-G732 PolarHBondContact O-N 3.1Å; G732-E734 PolarHBondContact O-N 3.14Å; G732-H766 WeakPolarHBondContact CA-CD2 3.36Å; G732-H766 VanDerWaalsContact CA-CG 3.42Å; G732-H766 WeakPolarHBondContact CA-NE2 3.41Å; G732-H766 PolarHBondContact N-CD2 3.25Å; G732-H766 PolarHBondContact N-NE2 3.06Å |
| 733 | C | 88.3 | Confident | 90.6 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 17% | 0.169 | 18% | 0.184 | C | C | . | . | trans | -80.2 | 104.8 | 179.1 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | T731 C736 L737 | T731-C733 VanDerWaalsContact C-N 3.34Å; C733-C736 HydrophobicContact CB-CB 4.01Å; C733-C736 PolarHBondContact SG-SG 3.49Å; C733-L737 PolarHBondContact O-N 2.93Å | ||
| 734 | E | 89.3 | Confident | 90.2 | Very high | 94 Ų | 94 | 39.5 Ų | 39.5 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.1 | -46 | 179.7 | -174.8 | 174.4 | -177.7 | 0 | 0 | 111.9 | G732 C736 L737 A738 V769 | G732-E734 PolarHBondContact O-N 3.14Å; E734-C736 PolarHBondContact O-N 3.48Å; E734-L737 CarbonylContact O-C 3.46Å; E734-L737 WeakPolarHBondContact O-CA 3.41Å; E734-L737 WeakPolarHBondContact O-CB 3.49Å; E734-L737 PolarHBondContact O-N 3.03Å; E734-A738 PolarHBondContact O-N 3.5Å; E734-V769 HydrophobicContact CB-CG2 4.46Å |
| 735 | D | 90.3 | Very high | 90 | Very high | 100 Ų | 100 | 39.8 Ų | 39.8 | 54% | 0.535 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.3 | -42.7 | -177.9 | -56.6 | -38.7 | 0 | 0 | 0 | 112.1 | V701 L737 A738 A739 | V701-D735 HydrophobicContact CG1-CB 3.8Å; V701-D735 HydrophobicContact CG2-CB 3.87Å; D735-L737 VanDerWaalsContact C-N 3.25Å; D735-L737 PolarHBondContact O-N 3.2Å; D735-A738 PolarHBondContact O-N 2.94Å; D735-A739 WeakPolarHBondContact O-CB 3.49Å; D735-A739 PolarHBondContact O-N 2.8Å |
| 736 | C | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.9 | -34.8 | 173.6 | -73.8 | 0 | 0 | 0 | 0 | 112.1 | I696 C733 E734 L740 | I696-C736 HydrophobicContact CG1-CB 4.43Å; I696-C736 HydrophobicContact CG2-CB 4.33Å; C733-C736 HydrophobicContact CB-CB 4.01Å; C733-C736 PolarHBondContact SG-SG 3.49Å; E734-C736 PolarHBondContact O-N 3.48Å; C736-L740 VanDerWaalsContact O-CG 3.27Å; C736-L740 WeakPolarHBondContact O-CG 3.46Å; C736-L740 PolarHBondContact O-N 2.99Å |
| 737 | L | 90.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.6 | -43.8 | 177.2 | -111 | 73.1 | 0 | 0 | 0 | 112.1 | L725 C733 E734 D735 A739 L740 L741 V769 L773 | L725-L737 HydrophobicContact CD2-CG 4.14Å; C733-L737 PolarHBondContact O-N 2.93Å; E734-L737 CarbonylContact O-C 3.46Å; E734-L737 WeakPolarHBondContact O-CA 3.41Å; E734-L737 WeakPolarHBondContact O-CB 3.49Å; E734-L737 PolarHBondContact O-N 3.03Å; D735-L737 VanDerWaalsContact C-N 3.25Å; D735-L737 PolarHBondContact O-N 3.2Å; L737-A739 VanDerWaalsContact C-N 3.29Å; L737-A739 PolarHBondContact O-N 2.92Å; L737-L740 PolarHBondContact O-N 3.43Å; L737-L740 VanDerWaalsContact O-N 3.16Å; L737-L741 VanDerWaalsContact O-CG 3.28Å; L737-L741 WeakPolarHBondContact O-CG 3.36Å; L737-L741 PolarHBondContact O-N 3.2Å; L737-V769 HydrophobicContact CD2-CB 4.1Å; L737-V769 HydrophobicContact CD2-CG1 3.29Å; L737-V769 HydrophobicContact CD2-CG2 4.1Å; L737-L773 HydrophobicContact CD2-CD1 3.99Å; L737-L773 HydrophobicContact CD2-CD2 3.8Å; L737-L773 HydrophobicContact CD2-CG 3.74Å |
| 738 | A | 90.3 | Very high | 88.9 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 31% | 0.306 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.2 | -47.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | E734 D735 L740 L741 D742 | E734-A738 PolarHBondContact O-N 3.5Å; D735-A738 PolarHBondContact O-N 2.94Å; A738-L740 VanDerWaalsContact C-N 3.32Å; A738-L740 PolarHBondContact O-N 2.95Å; A738-L741 PolarHBondContact O-N 3.34Å; A738-L741 VanDerWaalsContact O-N 3.12Å; A738-D742 WeakPolarHBondContact O-CB 3.48Å; A738-D742 VanDerWaalsContact O-CG 3.28Å; A738-D742 PolarHBondContact O-N 3.28Å |
| 739 | A | 90.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.6 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V704 H705 L708 D735 L737 H743 | V704-A739 HydrophobicContact CG1-CB 4.09Å; H705-A739 VanDerWaalsContact CE1-CB 3.41Å; H705-A739 WeakPolarHBondContact CE1-CB 3.44Å; L708-A739 HydrophobicContact CD1-CB 4.13Å; D735-A739 WeakPolarHBondContact O-CB 3.49Å; D735-A739 PolarHBondContact O-N 2.8Å; L737-A739 VanDerWaalsContact C-N 3.29Å; L737-A739 PolarHBondContact O-N 2.92Å; A739-H743 PolarHBondContact O-CD2 2.86Å; A739-H743 VanDerWaalsContact O-CD2 3.26Å; A739-H743 PolarHBondContact O-N 3.03Å |
| 740 | L | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 176.2 | -71.4 | 167.2 | 0 | 0 | 0 | 112.3 | L692 I696 L708 A714 A724 L725 C736 L737 A738 H743 A745 | L692-L740 HydrophobicContact CD2-CD2 4.2Å; I696-L740 HydrophobicContact CD1-CD1 3.76Å; I696-L740 HydrophobicContact CD1-CD2 4.12Å; I696-L740 HydrophobicContact CD1-CG 4.3Å; L708-L740 HydrophobicContact CD1-CD2 4.29Å; L708-L740 HydrophobicContact CD2-CD2 4.31Å; A714-L740 HydrophobicContact CB-CD2 4.01Å; A724-L740 HydrophobicContact CB-CD1 3.97Å; A724-L740 HydrophobicContact CB-CD2 3.76Å; L725-L740 HydrophobicContact CD2-CB 3.96Å; L725-L740 HydrophobicContact CD2-CD1 3.89Å; L725-L740 HydrophobicContact CG-CB 4.46Å; L725-L740 HydrophobicContact CG-CD1 4.17Å; C736-L740 VanDerWaalsContact O-CG 3.27Å; C736-L740 WeakPolarHBondContact O-CG 3.46Å; C736-L740 PolarHBondContact O-N 2.99Å; L737-L740 PolarHBondContact O-N 3.43Å; L737-L740 VanDerWaalsContact O-N 3.16Å; A738-L740 VanDerWaalsContact C-N 3.32Å; A738-L740 PolarHBondContact O-N 2.95Å; L740-H743 CarbonylContact O-C 3.58Å; L740-H743 PolarHBondContact O-N 2.89Å; L740-A745 HydrophobicContact CB-CB 4.01Å; L740-A745 WeakPolarHBondContact O-CB 3.32Å; L740-A745 PolarHBondContact O-N 3.37Å; L740-A745 VanDerWaalsContact O-N 3.11Å |
| 741 | L | 89.4 | Confident | 88.3 | Confident | 37 Ų | 37 | 46.6 Ų | 46.6 | 19% | 0.194 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.8 | -35.8 | -179.6 | -66.6 | 173.6 | 0 | 0 | 0 | 112 | L725 L737 A738 H743 D744 V747 A776 | L725-L741 HydrophobicContact CD2-CD2 4.3Å; L737-L741 VanDerWaalsContact O-CG 3.28Å; L737-L741 WeakPolarHBondContact O-CG 3.36Å; L737-L741 PolarHBondContact O-N 3.2Å; A738-L741 PolarHBondContact O-N 3.34Å; A738-L741 VanDerWaalsContact O-N 3.12Å; L741-H743 PolarHBondContact O-N 3.49Å; L741-D744 PolarHBondContact O-N 3.2Å; L741-D744 VanDerWaalsContact O-N 3.09Å; L741-V747 HydrophobicContact CD2-CG2 3.58Å; L741-A776 HydrophobicContact CD1-CB 4.13Å; L741-A776 HydrophobicContact CD2-CB 4.05Å |
| 742 | D | 87.9 | Confident | 88.1 | Confident | 127 Ų | 127 | 49.2 Ų | 49.2 | 68% | 0.679 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.5 | -24.8 | 173.2 | -72.4 | -18 | 0 | 0 | 0 | 112.2 | A738 | A738-D742 WeakPolarHBondContact O-CB 3.48Å; A738-D742 VanDerWaalsContact O-CG 3.28Å; A738-D742 PolarHBondContact O-N 3.28Å |
| 743 | H | 87.3 | Confident | 88 | Confident | 87 Ų | 87 | 53 Ų | 53 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 29.4 | 174.9 | -75.5 | -98.6 | 0 | 0 | 0 | 113 | L708 A739 L740 L741 A745 | L708-H743 HydrophobicContact CD2-CB 4.3Å; A739-H743 PolarHBondContact O-CD2 2.86Å; A739-H743 VanDerWaalsContact O-CD2 3.26Å; A739-H743 PolarHBondContact O-N 3.03Å; L740-H743 CarbonylContact O-C 3.58Å; L740-H743 PolarHBondContact O-N 2.89Å; L741-H743 PolarHBondContact O-N 3.49Å; H743-A745 VanDerWaalsContact C-N 3.35Å; H743-A745 PolarHBondContact O-N 3.35Å |
| 744 | D | 84.3 | Confident | 87.9 | Confident | 148 Ų | 148 | 51.8 Ų | 51.8 | 79% | 0.791 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 30.5 | 172.3 | -67 | -41.6 | 0 | 0 | 0 | 115.8 | L741 | L741-D744 PolarHBondContact O-N 3.2Å; L741-D744 VanDerWaalsContact O-N 3.09Å |
| 745 | A | 87.5 | Confident | 87.9 | Confident | 7 Ų | 7 | 49 Ų | 49 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | trans | -64 | 137.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A714 L725 L740 H743 V747 | A714-A745 HydrophobicContact CB-CB 3.86Å; L725-A745 HydrophobicContact CD1-CB 3.63Å; L725-A745 HydrophobicContact CD2-CB 4.48Å; L725-A745 HydrophobicContact CG-CB 3.99Å; L740-A745 HydrophobicContact CB-CB 4.01Å; L740-A745 WeakPolarHBondContact O-CB 3.32Å; L740-A745 PolarHBondContact O-N 3.37Å; L740-A745 VanDerWaalsContact O-N 3.11Å; H743-A745 VanDerWaalsContact C-N 3.35Å; H743-A745 PolarHBondContact O-N 3.35Å; A745-V747 PolarHBondContact O-N 2.95Å | ||
| 746 | F | 86.1 | Confident | 87.8 | Confident | 103 Ų | 103 | 44.3 Ų | 44.3 | 45% | 0.452 | 22% | 0.217 | S | C | . | . | trans | -77.6 | 111.5 | -174.4 | -175.3 | -112.1 | 0 | 0 | 0 | 113.2 | D715 L725 L748 C749 | D715-F746 PolarHBondContact OD1-N 2.9Å; L725-F746 VanDerWaalsContact CD1-O 3.32Å; L725-F746 WeakPolarHBondContact CD1-O 3.2Å; F746-L748 HydrophobicContact CE1-CB 3.87Å; F746-L748 WeakPolarHBondContact CE1-O 3.36Å; F746-L748 HydrophobicContact CE2-CB 4.4Å; F746-L748 HydrophobicContact CZ-CB 3.71Å; F746-L748 PolarHBondContact O-N 3.04Å; F746-C749 HydrophobicContact CD1-CB 3.99Å; F746-C749 VanDerWaalsContact CD1-N 3.34Å; F746-C749 PolarHBondContact O-N 3.05Å; F746-C749 PolarHBondContact O-SG 3.44Å | ||
| 747 | V | 83.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -36.7 | -173.5 | -177 | 0 | 0 | 0 | 0 | 113.8 | L741 A745 C749 P757 L773 A776 A777 | L741-V747 HydrophobicContact CD2-CG2 3.58Å; A745-V747 PolarHBondContact O-N 2.95Å; V747-C749 PolarHBondContact O-N 3.38Å; V747-P757 WeakPolarHBondContact O-CD 3.47Å; V747-L773 HydrophobicContact CG1-CD2 4.14Å; V747-A776 HydrophobicContact CG2-CB 3.75Å; V747-A777 HydrophobicContact CG1-CB 4.21Å |
| 748 | L | 82.1 | Confident | 87.7 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 22.2 | -175.4 | -59.8 | 178.9 | 0 | 0 | 0 | 113 | F746 A777 A785 | F746-L748 HydrophobicContact CE1-CB 3.87Å; F746-L748 WeakPolarHBondContact CE1-O 3.36Å; F746-L748 HydrophobicContact CE2-CB 4.4Å; F746-L748 HydrophobicContact CZ-CB 3.71Å; F746-L748 PolarHBondContact O-N 3.04Å; L748-A777 HydrophobicContact CD2-CB 4.36Å; L748-A785 HydrophobicContact CD2-CB 3.95Å |
| 749 | C | 85.6 | Confident | 87.6 | Confident | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.081 | 21% | 0.205 | C | C | . | . | trans | -59.1 | 140.7 | 173.6 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | T723 H726 F746 V747 T756 P757 | T723-C749 HydrophobicContact CG2-CB 3.93Å; T723-C749 PolarHBondContact OG1-SG 3.41Å; H726-C749 PolarHBondContact CE1-O 2.99Å; H726-C749 PolarHBondContact CE1-SG 3.37Å; H726-C749 PolarHBondContact NE2-O 3.12Å; F746-C749 HydrophobicContact CD1-CB 3.99Å; F746-C749 VanDerWaalsContact CD1-N 3.34Å; F746-C749 PolarHBondContact O-N 3.05Å; F746-C749 PolarHBondContact O-SG 3.44Å; V747-C749 PolarHBondContact O-N 3.38Å; C749-T756 WeakPolarHBondContact O-CA 3.36Å; C749-P757 WeakPolarHBondContact O-CD 3.44Å; C749-P757 VanDerWaalsContact SG-CG 3.57Å | ||
| 750 | R | 87.4 | Confident | 87.7 | Confident | 90 Ų | 90 | 43.8 Ų | 43.8 | 34% | 0.34 | 21% | 0.209 | S | C | . | . | trans | -114.5 | 131.3 | -178.9 | -68.1 | -172.1 | -179.3 | -178.4 | 7.3 | 110.5 | R755 T756 D784 | R750-R755 WeakPolarHBondContact CA-O 3.18Å; R750-T756 HydrophobicContact CG-CG2 4.11Å; R750-D784 PolarHBondContact NH2-O 3.09Å; R750-D784 IonicContact NH2-OD1 2.89Å; R750-D784 PolarHBondContact NH2-OD1 3.02Å | ||
| 751 | D | 89.4 | Confident | 87.7 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | trans | -74.5 | 179.5 | 170.4 | 82.3 | -5.5 | 0 | 0 | 0 | 112.3 | R722 K753 G754 R755 | R722-D751 HydrophobicContact CG-CB 3.89Å; D751-K753 PolarHBondContact O-N 2.97Å; D751-K753 WeakPolarHBondContact OD1-CA 3.33Å; D751-K753 WeakPolarHBondContact OD1-CB 3.46Å; D751-K753 PolarHBondContact OD1-N 3.42Å; D751-G754 PolarHBondContact O-N 3.43Å; D751-G754 PolarHBondContact OD1-N 2.99Å; D751-R755 PolarHBondContact N-O 3.34Å; D751-R755 WeakPolarHBondContact OD1-CB 3.43Å; D751-R755 PolarHBondContact OD1-N 3.48Å; D751-R755 IonicContact OD1-NE 3.93Å; D751-R755 IonicContact OD2-CZ 2.69Å; D751-R755 IonicContact OD2-NE 3.5Å; D751-R755 PolarHBondContact OD2-NE 3.08Å; D751-R755 IonicContact OD2-NH2 3.65Å; D751-R755 PolarHBondContact OD2-NH2 3.01Å | ||
| 752 | F | 88 | Confident | 87.7 | Confident | 104 Ų | 104 | 42 Ų | 42 | 46% | 0.456 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.9 | 178.9 | 78.5 | -75.1 | 0 | 0 | 0 | 115.5 | R720 | R720-F752 HydrophobicContact CB-CD1 3.7Å; R720-F752 HydrophobicContact CB-CE1 4.08Å; R720-F752 HydrophobicContact CB-CG 4.47Å; R720-F752 HydrophobicContact CG-CD1 4.25Å; R720-F752 HydrophobicContact CG-CE1 4.28Å; R720-F752 WeakPolarHBondContact O-CB 3.3Å; R720-F752 VanDerWaalsContact O-CD1 3.32Å; R720-F752 WeakPolarHBondContact O-CD1 3.48Å; R720-F752 PolarHBondContact O-N 3.07Å |
| 753 | K | 86.6 | Confident | 87.9 | Confident | 102 Ų | 102 | 36.9 Ų | 36.9 | 44% | 0.443 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 4.7 | 174.6 | -67.6 | -175 | 171.9 | -173.3 | 0 | 112.3 | D751 R755 Y789 | D751-K753 PolarHBondContact O-N 2.97Å; D751-K753 WeakPolarHBondContact OD1-CA 3.33Å; D751-K753 WeakPolarHBondContact OD1-CB 3.46Å; D751-K753 PolarHBondContact OD1-N 3.42Å; K753-R755 VanDerWaalsContact C-N 3.27Å; K753-R755 HydrophobicContact CB-CG 4.08Å; K753-Y789 WeakPolarHBondContact O-CB 3.39Å; K753-Y789 WeakPolarHBondContact O-CD2 3.33Å; K753-Y789 PolarHBondContact O-N 3.48Å |
| 754 | G | 86.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 78 | 9.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D751 Y789 | D751-G754 PolarHBondContact O-N 3.43Å; D751-G754 PolarHBondContact OD1-N 2.99Å; G754-Y789 VanDerWaalsContact N-CD2 3.34Å |
| 755 | R | 88.9 | Confident | 88.4 | Confident | 35 Ų | 35 | 28.9 Ų | 28.9 | 13% | 0.132 | 14% | 0.143 | C | C | . | . | trans | -81.8 | 138.4 | -177.8 | -59.4 | 175.7 | -62.7 | 171 | 6.2 | 109.6 | H726 R750 D751 K753 H759 D788 | H726-R755 PolarHBondContact NE2-O 3Å; R750-R755 WeakPolarHBondContact CA-O 3.18Å; D751-R755 PolarHBondContact N-O 3.34Å; D751-R755 WeakPolarHBondContact OD1-CB 3.43Å; D751-R755 PolarHBondContact OD1-N 3.48Å; D751-R755 IonicContact OD1-NE 3.93Å; D751-R755 IonicContact OD2-CZ 2.69Å; D751-R755 IonicContact OD2-NE 3.5Å; D751-R755 PolarHBondContact OD2-NE 3.08Å; D751-R755 IonicContact OD2-NH2 3.65Å; D751-R755 PolarHBondContact OD2-NH2 3.01Å; K753-R755 VanDerWaalsContact C-N 3.27Å; K753-R755 HydrophobicContact CB-CG 4.08Å; R755-H759 HydrophobicContact CB-CB 4.14Å; R755-D788 HydrophobicContact CG-CB 3.83Å | ||
| 756 | T | 89.2 | Confident | 88.7 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | trans | -93.5 | 165.7 | 173.1 | 65.6 | 0 | 0 | 0 | 0 | 111.2 | C749 R750 I758 H759 L760 | C749-T756 WeakPolarHBondContact O-CA 3.36Å; R750-T756 HydrophobicContact CG-CG2 4.11Å; T756-I758 PolarHBondContact O-N 3.38Å; T756-I758 VanDerWaalsContact O-N 3.16Å; T756-H759 PolarHBondContact N-ND1 3.47Å; T756-H759 WeakPolarHBondContact O-CB 3.48Å; T756-H759 PolarHBondContact O-N 2.67Å; T756-H759 PolarHBondContact OG1-ND1 2.96Å; T756-L760 PolarHBondContact O-N 3.45Å | ||
| 757 | P | 89.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -51.6 | -34.7 | 171.4 | -28.2 | 35.8 | 0 | 0 | 0 | 113.1 | L725 A729 V747 C749 H759 L760 A761 L773 | L725-P757 HydrophobicContact CB-CB 4.4Å; L725-P757 HydrophobicContact CB-CG 3.88Å; A729-P757 HydrophobicContact CB-CB 3.91Å; A729-P757 WeakPolarHBondContact CB-O 3.42Å; V747-P757 WeakPolarHBondContact O-CD 3.47Å; C749-P757 WeakPolarHBondContact O-CD 3.44Å; C749-P757 VanDerWaalsContact SG-CG 3.57Å; P757-H759 VanDerWaalsContact C-N 3.34Å; P757-H759 PolarHBondContact O-N 3.2Å; P757-L760 PolarHBondContact O-N 3.34Å; P757-L760 VanDerWaalsContact O-N 3.15Å; P757-A761 WeakPolarHBondContact O-CB 3.38Å; P757-A761 PolarHBondContact O-N 2.86Å; P757-L773 HydrophobicContact CB-CD1 4Å; P757-L773 HydrophobicContact CB-CD2 4.4Å |
| 758 | I | 89.3 | Confident | 89.2 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 176.3 | -58.3 | 173.4 | 0 | 0 | 0 | 111.5 | T756 L760 S762 L770 L773 L774 A777 P794 | T756-I758 PolarHBondContact O-N 3.38Å; T756-I758 VanDerWaalsContact O-N 3.16Å; I758-L760 VanDerWaalsContact C-N 3.33Å; I758-L760 PolarHBondContact O-N 3.33Å; I758-S762 VanDerWaalsContact O-CB 3.3Å; I758-S762 WeakPolarHBondContact O-CB 3.22Å; I758-S762 PolarHBondContact O-N 2.9Å; I758-S762 PolarHBondContact O-OG 3.05Å; I758-L770 HydrophobicContact CG2-CD1 3.65Å; I758-L773 HydrophobicContact CG1-CB 4.1Å; I758-L774 HydrophobicContact CD1-CD2 4.32Å; I758-L774 HydrophobicContact CG2-CD2 4.27Å; I758-A777 HydrophobicContact CD1-CB 4.19Å; I758-P794 HydrophobicContact CG2-CB 4.1Å; I758-P794 HydrophobicContact CG2-CG 3.92Å |
| 759 | H | 88.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 176.5 | -68.9 | 80.7 | 0 | 0 | 0 | 111.3 | R755 T756 P757 A763 Y792 P794 W797 | R755-H759 HydrophobicContact CB-CB 4.14Å; T756-H759 PolarHBondContact N-ND1 3.47Å; T756-H759 WeakPolarHBondContact O-CB 3.48Å; T756-H759 PolarHBondContact O-N 2.67Å; T756-H759 PolarHBondContact OG1-ND1 2.96Å; P757-H759 VanDerWaalsContact C-N 3.34Å; P757-H759 PolarHBondContact O-N 3.2Å; H759-A763 WeakPolarHBondContact O-CB 3.44Å; H759-A763 PolarHBondContact O-N 3.17Å; H759-Y792 PolarHBondContact NE2-O 3.48Å; H759-P794 WeakPolarHBondContact NE2-CD 3.06Å; H759-W797 AromaticContact CD2-CD1 3.87Å |
| 760 | L | 91 | Very high | 89.8 | Confident | 17 Ų | 17 | 27.3 Ų | 27.3 | 9% | 0.089 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72 | -41.5 | -179.8 | -62.8 | -178.9 | 0 | 0 | 0 | 112 | H726 A729 V730 T756 P757 I758 S762 A763 C764 | H726-L760 HydrophobicContact CB-CD1 3.99Å; A729-L760 HydrophobicContact CB-CB 4.32Å; V730-L760 HydrophobicContact CG2-CB 3.94Å; V730-L760 HydrophobicContact CG2-CD1 3.84Å; V730-L760 HydrophobicContact CG2-CG 4.34Å; T756-L760 PolarHBondContact O-N 3.45Å; P757-L760 PolarHBondContact O-N 3.34Å; P757-L760 VanDerWaalsContact O-N 3.15Å; I758-L760 VanDerWaalsContact C-N 3.33Å; I758-L760 PolarHBondContact O-N 3.33Å; L760-S762 VanDerWaalsContact C-N 3.31Å; L760-S762 PolarHBondContact O-N 3.38Å; L760-A763 PolarHBondContact O-N 3.05Å; L760-C764 WeakPolarHBondContact O-CB 3.41Å; L760-C764 PolarHBondContact O-N 3.26Å; L760-C764 PolarHBondContact O-SG 3.34Å |
| 761 | A | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A729 P757 C764 G765 H766 V769 L770 L773 | A729-A761 HydrophobicContact CB-CB 4.2Å; A729-A761 WeakPolarHBondContact O-CA 3.43Å; P757-A761 WeakPolarHBondContact O-CB 3.38Å; P757-A761 PolarHBondContact O-N 2.86Å; A761-C764 PolarHBondContact O-N 3.42Å; A761-G765 PolarHBondContact O-N 2.9Å; A761-H766 PolarHBondContact O-N 3.07Å; A761-V769 HydrophobicContact CB-CG1 3.98Å; A761-L770 HydrophobicContact CB-CB 4.35Å; A761-L770 HydrophobicContact CB-CD1 4.34Å; A761-L773 HydrophobicContact CB-CD1 4.14Å |
| 762 | S | 90.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65 | -39 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | I758 L760 C764 A798 H803 | I758-S762 VanDerWaalsContact O-CB 3.3Å; I758-S762 WeakPolarHBondContact O-CB 3.22Å; I758-S762 PolarHBondContact O-N 2.9Å; I758-S762 PolarHBondContact O-OG 3.05Å; L760-S762 VanDerWaalsContact C-N 3.31Å; L760-S762 PolarHBondContact O-N 3.38Å; S762-C764 VanDerWaalsContact C-N 3.34Å; S762-A798 WeakPolarHBondContact O-CA 3.06Å; S762-H803 PolarHBondContact O-CD2 3.28Å |
| 763 | A | 91.4 | Very high | 89.8 | Confident | 19 Ų | 19 | 25.2 Ų | 25.2 | 16% | 0.157 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.6 | -30 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H759 L760 W797 T801 H803 | H759-A763 WeakPolarHBondContact O-CB 3.44Å; H759-A763 PolarHBondContact O-N 3.17Å; L760-A763 PolarHBondContact O-N 3.05Å; A763-W797 HydrophobicContact CB-CB 4.08Å; A763-W797 HydrophobicContact CB-CD2 4.43Å; A763-W797 HydrophobicContact CB-CE3 3.88Å; A763-T801 WeakPolarHBondContact O-CG2 3.37Å; A763-T801 PolarHBondContact O-OG1 3.41Å; A763-H803 PolarHBondContact O-NE2 2.67Å |
| 764 | C | 91.5 | Very high | 89.7 | Confident | 48 Ų | 48 | 21.4 Ų | 21.4 | 32% | 0.324 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -92.9 | -13.7 | -178.5 | -59 | 0 | 0 | 0 | 0 | 113.7 | L760 A761 S762 H766 | L760-C764 WeakPolarHBondContact O-CB 3.41Å; L760-C764 PolarHBondContact O-N 3.26Å; L760-C764 PolarHBondContact O-SG 3.34Å; A761-C764 PolarHBondContact O-N 3.42Å; S762-C764 VanDerWaalsContact C-N 3.34Å; C764-H766 VanDerWaalsContact CB-CD2 3.45Å; C764-H766 WeakPolarHBondContact CB-CD2 3.31Å |
| 765 | G | 91.1 | Very high | 89.6 | Confident | 19 Ų | 19 | 28 Ų | 28 | 20% | 0.196 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 20.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A761 T767 H803 | A761-G765 PolarHBondContact O-N 2.9Å; G765-T767 PolarHBondContact O-N 3.49Å; G765-H803 WeakPolarHBondContact CA-CD2 3.29Å; G765-H803 PolarHBondContact N-CD2 3.14Å; G765-H803 PolarHBondContact N-NE2 2.87Å |
| 766 | H | 93.6 | Very high | 89.2 | Confident | 53 Ų | 53 | 27.4 Ų | 27.4 | 25% | 0.245 | 15% | 0.151 | C | C | . | . | trans | -87 | 88.3 | -176.1 | -61.1 | -49.8 | 0 | 0 | 0 | 111.1 | A729 V730 G732 A761 C764 V769 L770 | A729-H766 PolarHBondContact O-CD2 3.22Å; V730-H766 PolarHBondContact O-NE2 3.42Å; G732-H766 WeakPolarHBondContact CA-CD2 3.36Å; G732-H766 VanDerWaalsContact CA-CG 3.42Å; G732-H766 WeakPolarHBondContact CA-NE2 3.41Å; G732-H766 PolarHBondContact N-CD2 3.25Å; G732-H766 PolarHBondContact N-NE2 3.06Å; A761-H766 PolarHBondContact O-N 3.07Å; C764-H766 VanDerWaalsContact CB-CD2 3.45Å; C764-H766 WeakPolarHBondContact CB-CD2 3.31Å; H766-V769 HydrophobicContact CB-CB 3.94Å; H766-V769 HydrophobicContact CB-CG1 4.46Å; H766-V769 HydrophobicContact CB-CG2 4.42Å; H766-L770 VanDerWaalsContact O-CB 3.24Å; H766-L770 WeakPolarHBondContact O-CB 3.23Å; H766-L770 PolarHBondContact O-N 3Å | ||
| 767 | T | 91.3 | Very high | 88.7 | Confident | 41 Ų | 41 | 28.1 Ų | 28.1 | 25% | 0.252 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65 | -43.4 | -171.9 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | G765 L770 R771 D805 | G765-T767 PolarHBondContact O-N 3.49Å; T767-L770 PolarHBondContact O-N 2.85Å; T767-R771 WeakPolarHBondContact O-CB 3.25Å; T767-R771 PolarHBondContact O-N 2.79Å; T767-D805 HydrophobicContact CG2-CB 3.23Å |
| 768 | A | 89.9 | Confident | 87.9 | Confident | 30 Ų | 30 | 33.7 Ų | 33.7 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -49.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L770 R771 T772 | A768-L770 VanDerWaalsContact C-N 3.33Å; A768-L770 PolarHBondContact O-N 2.96Å; A768-R771 WeakPolarHBondContact O-CB 3.38Å; A768-R771 PolarHBondContact O-N 3.39Å; A768-T772 PolarHBondContact O-N 3.32Å; A768-T772 PolarHBondContact O-OG1 2.83Å |
| 769 | V | 90.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 173.9 | 161 | 0 | 0 | 0 | 0 | 111.8 | E734 L737 A761 H766 R771 T772 L773 | E734-V769 HydrophobicContact CB-CG2 4.46Å; L737-V769 HydrophobicContact CD2-CB 4.1Å; L737-V769 HydrophobicContact CD2-CG1 3.29Å; L737-V769 HydrophobicContact CD2-CG2 4.1Å; A761-V769 HydrophobicContact CB-CG1 3.98Å; H766-V769 HydrophobicContact CB-CB 3.94Å; H766-V769 HydrophobicContact CB-CG1 4.46Å; H766-V769 HydrophobicContact CB-CG2 4.42Å; V769-R771 VanDerWaalsContact C-N 3.33Å; V769-R771 PolarHBondContact O-N 2.94Å; V769-T772 WeakPolarHBondContact CA-OG1 3.41Å; V769-T772 PolarHBondContact O-N 3.15Å; V769-T772 PolarHBondContact O-OG1 3.04Å; V769-L773 HydrophobicContact CG1-CD1 3.82Å; V769-L773 HydrophobicContact CG1-CG 4.39Å; V769-L773 WeakPolarHBondContact O-CB 3.33Å; V769-L773 VanDerWaalsContact O-CG 3.23Å; V769-L773 WeakPolarHBondContact O-CG 3.31Å; V769-L773 PolarHBondContact O-N 3.28Å |
| 770 | L | 89.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 176.7 | -178.2 | 60.8 | 0 | 0 | 0 | 111.3 | I758 A761 H766 T767 A768 L773 L774 C806 L810 | I758-L770 HydrophobicContact CG2-CD1 3.65Å; A761-L770 HydrophobicContact CB-CB 4.35Å; A761-L770 HydrophobicContact CB-CD1 4.34Å; H766-L770 VanDerWaalsContact O-CB 3.24Å; H766-L770 WeakPolarHBondContact O-CB 3.23Å; H766-L770 PolarHBondContact O-N 3Å; T767-L770 PolarHBondContact O-N 2.85Å; A768-L770 VanDerWaalsContact C-N 3.33Å; A768-L770 PolarHBondContact O-N 2.96Å; L770-L773 PolarHBondContact O-N 3.43Å; L770-L774 HydrophobicContact CD1-CD1 4.14Å; L770-L774 HydrophobicContact CD1-CG 4.16Å; L770-L774 HydrophobicContact CG-CD1 3.93Å; L770-L774 HydrophobicContact CG-CG 4.38Å; L770-L774 WeakPolarHBondContact O-CB 3.47Å; L770-L774 VanDerWaalsContact O-CG 3.22Å; L770-L774 WeakPolarHBondContact O-CG 3.39Å; L770-L774 PolarHBondContact O-N 3.44Å; L770-C806 HydrophobicContact CD2-CB 3.67Å; L770-L810 HydrophobicContact CD1-CD2 4.42Å; L770-L810 HydrophobicContact CD2-CD1 4.4Å; L770-L810 HydrophobicContact CD2-CD2 4.45Å; L770-L810 HydrophobicContact CD2-CG 4.12Å |
| 771 | R | 89.1 | Confident | 83.8 | Confident | 120 Ų | 120 | 46.4 Ų | 46.4 | 45% | 0.453 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 176.9 | -175 | -178.1 | -65.7 | 106.8 | -1.3 | 111.9 | T767 A768 V769 L774 Q775 | T767-R771 WeakPolarHBondContact O-CB 3.25Å; T767-R771 PolarHBondContact O-N 2.79Å; A768-R771 WeakPolarHBondContact O-CB 3.38Å; A768-R771 PolarHBondContact O-N 3.39Å; V769-R771 VanDerWaalsContact C-N 3.33Å; V769-R771 PolarHBondContact O-N 2.94Å; R771-L774 PolarHBondContact O-N 3.09Å; R771-Q775 WeakPolarHBondContact O-CB 3.44Å; R771-Q775 PolarHBondContact O-N 2.92Å |
| 772 | T | 88.2 | Confident | 81.9 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 20% | 0.202 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 179.2 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | A768 V769 Q775 A776 | A768-T772 PolarHBondContact O-N 3.32Å; A768-T772 PolarHBondContact O-OG1 2.83Å; V769-T772 WeakPolarHBondContact CA-OG1 3.41Å; V769-T772 PolarHBondContact O-N 3.15Å; V769-T772 PolarHBondContact O-OG1 3.04Å; T772-Q775 PolarHBondContact O-N 2.89Å; T772-A776 WeakPolarHBondContact O-CB 3.19Å; T772-A776 PolarHBondContact O-N 3.31Å |
| 773 | L | 87.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.5 | -69.5 | 172.6 | 0 | 0 | 0 | 112.6 | L725 A729 L737 V747 P757 I758 A761 V769 L770 A776 A777 | L725-L773 HydrophobicContact CD2-CD2 4.32Å; A729-L773 HydrophobicContact CB-CD1 4.24Å; L737-L773 HydrophobicContact CD2-CD1 3.99Å; L737-L773 HydrophobicContact CD2-CD2 3.8Å; L737-L773 HydrophobicContact CD2-CG 3.74Å; V747-L773 HydrophobicContact CG1-CD2 4.14Å; P757-L773 HydrophobicContact CB-CD1 4Å; P757-L773 HydrophobicContact CB-CD2 4.4Å; I758-L773 HydrophobicContact CG1-CB 4.1Å; A761-L773 HydrophobicContact CB-CD1 4.14Å; V769-L773 HydrophobicContact CG1-CD1 3.82Å; V769-L773 HydrophobicContact CG1-CG 4.39Å; V769-L773 WeakPolarHBondContact O-CB 3.33Å; V769-L773 VanDerWaalsContact O-CG 3.23Å; V769-L773 WeakPolarHBondContact O-CG 3.31Å; V769-L773 PolarHBondContact O-N 3.28Å; L770-L773 PolarHBondContact O-N 3.43Å; L773-A776 PolarHBondContact O-N 3.02Å; L773-A777 WeakPolarHBondContact O-CB 3.39Å; L773-A777 PolarHBondContact O-N 3.46Å |
| 774 | L | 85.2 | Confident | 78.2 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 176.8 | -74.2 | 171.6 | 0 | 0 | 0 | 111.4 | I758 L770 R771 A777 L778 L810 | I758-L774 HydrophobicContact CD1-CD2 4.32Å; I758-L774 HydrophobicContact CG2-CD2 4.27Å; L770-L774 HydrophobicContact CD1-CD1 4.14Å; L770-L774 HydrophobicContact CD1-CG 4.16Å; L770-L774 HydrophobicContact CG-CD1 3.93Å; L770-L774 HydrophobicContact CG-CG 4.38Å; L770-L774 WeakPolarHBondContact O-CB 3.47Å; L770-L774 VanDerWaalsContact O-CG 3.22Å; L770-L774 WeakPolarHBondContact O-CG 3.39Å; L770-L774 PolarHBondContact O-N 3.44Å; R771-L774 PolarHBondContact O-N 3.09Å; L774-A777 PolarHBondContact O-N 3.26Å; L774-L778 WeakPolarHBondContact O-CG 3.3Å; L774-L778 PolarHBondContact O-N 2.85Å; L774-L778 VanDerWaalsContact O-N 3.14Å; L774-L810 HydrophobicContact CD1-CD2 4.22Å; L774-L810 HydrophobicContact CD2-CD2 4.36Å |
| 775 | Q | 83.8 | Confident | 76.6 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | 176 | -174.1 | 173.8 | -3.4 | 0 | 0 | 111.9 | R771 T772 L778 | R771-Q775 WeakPolarHBondContact O-CB 3.44Å; R771-Q775 PolarHBondContact O-N 2.92Å; T772-Q775 PolarHBondContact O-N 2.89Å; Q775-L778 PolarHBondContact O-N 3.35Å |
| 776 | A | 81.5 | Confident | 75.4 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 17% | 0.174 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.5 | -28.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L741 V747 T772 L773 S779 | L741-A776 HydrophobicContact CD1-CB 4.13Å; L741-A776 HydrophobicContact CD2-CB 4.05Å; V747-A776 HydrophobicContact CG2-CB 3.75Å; T772-A776 WeakPolarHBondContact O-CB 3.19Å; T772-A776 PolarHBondContact O-N 3.31Å; L773-A776 PolarHBondContact O-N 3.02Å; A776-S779 PolarHBondContact O-OG 3.49Å |
| 777 | A | 78.6 | Confident | 74.7 | Confident | 18 Ų | 18 | 63 Ų | 63 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.6 | -31.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V747 L748 I758 L773 L774 S779 T780 | V747-A777 HydrophobicContact CG1-CB 4.21Å; L748-A777 HydrophobicContact CD2-CB 4.36Å; I758-A777 HydrophobicContact CD1-CB 4.19Å; L773-A777 WeakPolarHBondContact O-CB 3.39Å; L773-A777 PolarHBondContact O-N 3.46Å; L774-A777 PolarHBondContact O-N 3.26Å; A777-S779 PolarHBondContact O-N 3.41Å; A777-T780 PolarHBondContact O-N 2.93Å; A777-T780 VanDerWaalsContact O-N 3.08Å; A777-T780 VanDerWaalsContact O-O 3.13Å; A777-T780 PolarHBondContact O-OG1 3.41Å |
| 778 | L | 73.1 | Confident | 74.4 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 62% | 0.618 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -21.8 | 178.5 | -72.3 | 168.1 | 0 | 0 | 0 | 113.9 | L774 Q775 T780 | L774-L778 WeakPolarHBondContact O-CG 3.3Å; L774-L778 PolarHBondContact O-N 2.85Å; L774-L778 VanDerWaalsContact O-N 3.14Å; Q775-L778 PolarHBondContact O-N 3.35Å; L778-T780 VanDerWaalsContact C-N 3.31Å |
| 779 | S | 67.2 | Low | 74.2 | Confident | 103 Ų | 103 | 67.8 Ų | 67.8 | 72% | 0.72 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -10.8 | 174.6 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | A776 A777 | A776-S779 PolarHBondContact O-OG 3.49Å; A777-S779 PolarHBondContact O-N 3.41Å |
| 780 | T | 61.9 | Low | 73.7 | Confident | 44 Ų | 44 | 70.8 Ų | 70.8 | 27% | 0.27 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -103.1 | 153.9 | 174.8 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | A777 L778 | A777-T780 PolarHBondContact O-N 2.93Å; A777-T780 VanDerWaalsContact O-N 3.08Å; A777-T780 VanDerWaalsContact O-O 3.13Å; A777-T780 PolarHBondContact O-OG1 3.41Å; L778-T780 VanDerWaalsContact C-N 3.31Å |
| 781 | D | 52.9 | Low | 73.4 | Confident | 146 Ų | 146 | 71.3 Ų | 71.3 | 78% | 0.781 | 40% | 0.398 | S | S | * | . | trans | -54.8 | 127.9 | -171.5 | -143.8 | -1.6 | 0 | 0 | 0 | 112.1 | L783 | D781-L783 PolarHBondContact O-N 3.01Å; D781-L783 VanDerWaalsContact O-N 3.14Å | ||
| 782 | P | 52.1 | Low | 73.3 | Confident | 101 Ų | 101 | 69 Ų | 69 | 66% | 0.656 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 28 | -150.7 | 0.5 | 18.7 | 0 | 0 | 0 | 116.5 | ||
| 783 | L | 49.2 | Very low | 73.2 | Confident | 163 Ų | 163 | 67.5 Ų | 67.5 | 85% | 0.853 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | 4.4 | -164.3 | -78.7 | 161.3 | 0 | 0 | 0 | 117.3 | D781 | D781-L783 PolarHBondContact O-N 3.01Å; D781-L783 VanDerWaalsContact O-N 3.14Å |
| 784 | D | 53.8 | Low | 73.2 | Confident | 117 Ų | 117 | 68.2 Ų | 68.2 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -129.7 | 21.6 | -173.3 | -139.8 | -17 | 0 | 0 | 0 | 114.9 | R750 | R750-D784 PolarHBondContact NH2-O 3.09Å; R750-D784 IonicContact NH2-OD1 2.89Å; R750-D784 PolarHBondContact NH2-OD1 3.02Å |
| 785 | A | 59 | Low | 73.3 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 35% | 0.347 | 38% | 0.381 | S | S | . | . | trans | -101.6 | 8.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | L748 | L748-A785 HydrophobicContact CD2-CB 3.95Š| ||
| 786 | G | 66.4 | Low | 73.5 | Confident | 26 Ų | 26 | 60.9 Ų | 60.9 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -69.6 | -43.8 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S793 | G786-S793 WeakPolarHBondContact O-CA 3.41Å; G786-S793 VanDerWaalsContact O-CB 3.23Å; G786-S793 WeakPolarHBondContact O-CB 3.46Å |
| 787 | V | 78.8 | Confident | 73.9 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | trans | -153 | 154 | -166.9 | -66.2 | 0 | 0 | 0 | 0 | 114 | E820 | V787-E820 WeakPolarHBondContact CG1-O 3.28Š| ||
| 788 | D | 84.6 | Confident | 74.5 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.037 | 35% | 0.348 | C | S | . | . | trans | -71.2 | 175.4 | 165.6 | 71.2 | 19.9 | 0 | 0 | 0 | 112.6 | R755 S790 G791 Y792 W797 | R755-D788 HydrophobicContact CG-CB 3.83Å; D788-S790 PolarHBondContact O-N 3.36Å; D788-S790 VanDerWaalsContact OD1-C 3.3Å; D788-S790 VanDerWaalsContact OD1-CA 3.28Å; D788-S790 WeakPolarHBondContact OD1-CA 3.39Å; D788-S790 WeakPolarHBondContact OD1-CB 3.29Å; D788-S790 PolarHBondContact OD1-N 3.23Å; D788-S790 PolarHBondContact OD1-OG 3.41Å; D788-S790 PolarHBondContact OD2-OG 3.12Å; D788-G791 PolarHBondContact O-N 3.28Å; D788-G791 PolarHBondContact OD1-N 3.04Å; D788-G791 VanDerWaalsContact OD1-N 3.07Å; D788-Y792 PolarHBondContact N-O 3.4Å; D788-Y792 PolarHBondContact OD1-N 2.97Å; D788-W797 PolarHBondContact OD2-NE1 3.36Å | ||
| 789 | Y | 84.8 | Confident | 75.3 | Confident | 163 Ų | 163 | 56.8 Ų | 56.8 | 64% | 0.639 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.1 | 179.9 | -65.3 | -28.4 | 0 | 0 | 0 | 114.2 | K753 G754 | K753-Y789 WeakPolarHBondContact O-CB 3.39Å; K753-Y789 WeakPolarHBondContact O-CD2 3.33Å; K753-Y789 PolarHBondContact O-N 3.48Å; G754-Y789 VanDerWaalsContact N-CD2 3.34Å |
| 790 | S | 81.2 | Confident | 76.4 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 4.9 | 172.2 | 38.3 | 0 | 0 | 0 | 0 | 113.6 | D788 Y792 N822 | D788-S790 PolarHBondContact O-N 3.36Å; D788-S790 VanDerWaalsContact OD1-C 3.3Å; D788-S790 VanDerWaalsContact OD1-CA 3.28Å; D788-S790 WeakPolarHBondContact OD1-CA 3.39Å; D788-S790 WeakPolarHBondContact OD1-CB 3.29Å; D788-S790 PolarHBondContact OD1-N 3.23Å; D788-S790 PolarHBondContact OD1-OG 3.41Å; D788-S790 PolarHBondContact OD2-OG 3.12Å; S790-Y792 VanDerWaalsContact C-N 3.32Å; S790-Y792 WeakPolarHBondContact OG-CD2 3.28Å; S790-N822 PolarHBondContact O-ND2 3.42Å |
| 791 | G | 83.3 | Confident | 77.7 | Confident | 11 Ų | 11 | 58 Ų | 58 | 11% | 0.113 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 77.4 | 13.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D788 N822 | D788-G791 PolarHBondContact O-N 3.28Å; D788-G791 PolarHBondContact OD1-N 3.04Å; D788-G791 VanDerWaalsContact OD1-N 3.07Å; G791-N822 VanDerWaalsContact O-CB 3.29Å; G791-N822 WeakPolarHBondContact O-CB 3.43Å; G791-N822 PolarHBondContact O-N 3.21Å |
| 792 | Y | 86.3 | Confident | 79.5 | Confident | 72 Ų | 72 | 52.1 Ų | 52.1 | 28% | 0.282 | 28% | 0.282 | S | S | . | . | trans | -90.1 | 125.7 | 175.6 | -64.5 | -67.1 | 0 | 0 | 0 | 110.8 | H759 D788 S790 H796 N822 | H759-Y792 PolarHBondContact NE2-O 3.48Å; D788-Y792 PolarHBondContact N-O 3.4Å; D788-Y792 PolarHBondContact OD1-N 2.97Å; S790-Y792 VanDerWaalsContact C-N 3.32Å; S790-Y792 WeakPolarHBondContact OG-CD2 3.28Å; Y792-H796 HydrophobicContact CD1-CB 3.94Å; Y792-H796 AromaticContact CD1-CD2 3.78Å; Y792-H796 AromaticContact CD1-CG 3.84Å; Y792-H796 HydrophobicContact CG-CB 4.44Å; Y792-N822 VanDerWaalsContact CE1-ND2 3.27Å; Y792-N822 WeakPolarHBondContact CE1-ND2 3.38Å | ||
| 793 | S | 86.8 | Confident | 81.5 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | trans | -82.4 | 165.5 | 173.3 | 72.5 | 0 | 0 | 0 | 0 | 112.2 | G786 M795 H796 W797 | G786-S793 WeakPolarHBondContact O-CA 3.41Å; G786-S793 VanDerWaalsContact O-CB 3.23Å; G786-S793 WeakPolarHBondContact O-CB 3.46Å; S793-M795 PolarHBondContact O-N 2.94Å; S793-M795 VanDerWaalsContact O-N 3.14Å; S793-H796 PolarHBondContact N-ND1 3.17Å; S793-H796 VanDerWaalsContact N-ND1 3.14Å; S793-H796 WeakPolarHBondContact O-CB 2.92Å; S793-H796 PolarHBondContact O-N 3.04Å; S793-H796 PolarHBondContact OG-CE1 3.5Å; S793-H796 PolarHBondContact OG-ND1 2.9Å; S793-W797 PolarHBondContact O-N 2.98Å | ||
| 794 | P | 87.4 | Confident | 83.4 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.3 | -31.8 | 176.5 | -26 | 35.3 | 0 | 0 | 0 | 113.8 | I758 H759 H796 W797 A798 L810 | I758-P794 HydrophobicContact CG2-CB 4.1Å; I758-P794 HydrophobicContact CG2-CG 3.92Å; H759-P794 WeakPolarHBondContact NE2-CD 3.06Å; P794-H796 VanDerWaalsContact C-N 3.32Å; P794-H796 PolarHBondContact O-N 3.43Å; P794-W797 PolarHBondContact O-N 2.74Å; P794-A798 PolarHBondContact O-N 3.28Å; P794-L810 HydrophobicContact CB-CD1 4.12Å; P794-L810 HydrophobicContact CB-CD2 4.23Å |
| 795 | M | 87 | Confident | 85.1 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -35.6 | 174.6 | -69.2 | -176.2 | -69.1 | 0 | 0 | 112.8 | S793 W797 S799 L807 L810 L811 S817 P826 | S793-M795 PolarHBondContact O-N 2.94Å; S793-M795 VanDerWaalsContact O-N 3.14Å; M795-W797 VanDerWaalsContact C-N 3.31Å; M795-S799 WeakPolarHBondContact O-CB 3.32Å; M795-S799 PolarHBondContact O-N 3.19Å; M795-S799 PolarHBondContact O-OG 3.47Å; M795-L807 HydrophobicContact CB-CD1 4.24Å; M795-L807 HydrophobicContact CG-CD1 4.2Å; M795-L810 HydrophobicContact CG-CB 3.92Å; M795-L810 HydrophobicContact CG-CD1 4.08Å; M795-L811 HydrophobicContact SD-CD2 4.28Å; M795-S817 VanDerWaalsContact CE-OG 3.28Å; M795-S817 WeakPolarHBondContact CE-OG 3.23Å; M795-P826 HydrophobicContact CB-CB 4.48Å; M795-P826 HydrophobicContact CB-CG 4.12Å |
| 796 | H | 88 | Confident | 86.6 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 175.8 | -68 | 85.1 | 0 | 0 | 0 | 110.8 | Y792 S793 P794 Y800 F824 P826 | Y792-H796 HydrophobicContact CD1-CB 3.94Å; Y792-H796 AromaticContact CD1-CD2 3.78Å; Y792-H796 AromaticContact CD1-CG 3.84Å; Y792-H796 HydrophobicContact CG-CB 4.44Å; S793-H796 PolarHBondContact N-ND1 3.17Å; S793-H796 VanDerWaalsContact N-ND1 3.14Å; S793-H796 WeakPolarHBondContact O-CB 2.92Å; S793-H796 PolarHBondContact O-N 3.04Å; S793-H796 PolarHBondContact OG-CE1 3.5Å; S793-H796 PolarHBondContact OG-ND1 2.9Å; P794-H796 VanDerWaalsContact C-N 3.32Å; P794-H796 PolarHBondContact O-N 3.43Å; H796-Y800 WeakPolarHBondContact O-CB 3.4Å; H796-Y800 PolarHBondContact O-N 3.46Å; H796-F824 PolarHBondContact CD2-O 3.34Å; H796-F824 VanDerWaalsContact CD2-O 3.25Å; H796-F824 PolarHBondContact NE2-O 2.88Å; H796-P826 VanDerWaalsContact NE2-CD 3.35Å; H796-P826 WeakPolarHBondContact NE2-CD 3.47Å |
| 797 | W | 89.3 | Confident | 87.6 | Confident | 71 Ų | 71 | 41.5 Ų | 41.5 | 27% | 0.269 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.6 | -46 | 178.9 | -72 | 91.1 | 0 | 0 | 0 | 111.9 | H759 A763 D788 S793 P794 M795 S799 Y800 T801 | H759-W797 AromaticContact CD2-CD1 3.87Å; A763-W797 HydrophobicContact CB-CB 4.08Å; A763-W797 HydrophobicContact CB-CD2 4.43Å; A763-W797 HydrophobicContact CB-CE3 3.88Å; D788-W797 PolarHBondContact OD2-NE1 3.36Å; S793-W797 PolarHBondContact O-N 2.98Å; P794-W797 PolarHBondContact O-N 2.74Å; M795-W797 VanDerWaalsContact C-N 3.31Å; W797-S799 VanDerWaalsContact C-N 3.33Å; W797-S799 PolarHBondContact O-N 3.06Å; W797-Y800 PolarHBondContact O-N 3.38Å; W797-T801 PolarHBondContact O-N 3.3Å; W797-T801 VanDerWaalsContact O-N 3.14Å; W797-T801 PolarHBondContact O-OG1 2.84Å; W797-T801 VanDerWaalsContact O-OG1 3.12Å |
| 798 | A | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | S762 P794 G802 H803 C806 L807 L810 | S762-A798 WeakPolarHBondContact O-CA 3.06Å; P794-A798 PolarHBondContact O-N 3.28Å; A798-G802 PolarHBondContact O-N 3.22Å; A798-H803 PolarHBondContact O-N 2.82Å; A798-C806 HydrophobicContact CB-CB 4.37Å; A798-L807 HydrophobicContact CB-CB 4.39Å; A798-L810 HydrophobicContact CB-CD1 4.3Å |
| 799 | S | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69 | -36.8 | 177.8 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | M795 W797 P826 A830 | M795-S799 WeakPolarHBondContact O-CB 3.32Å; M795-S799 PolarHBondContact O-N 3.19Å; M795-S799 PolarHBondContact O-OG 3.47Å; W797-S799 VanDerWaalsContact C-N 3.33Å; W797-S799 PolarHBondContact O-N 3.06Å; S799-P826 WeakPolarHBondContact CB-O 3.37Å; S799-A830 WeakPolarHBondContact O-CA 3.46Å |
| 800 | Y | 90.3 | Very high | 88.2 | Confident | 125 Ų | 125 | 37 Ų | 37 | 49% | 0.49 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 178.2 | -177.6 | -86.9 | 0 | 0 | 0 | 111.5 | H796 W797 N833 | H796-Y800 WeakPolarHBondContact O-CB 3.4Å; H796-Y800 PolarHBondContact O-N 3.46Å; W797-Y800 PolarHBondContact O-N 3.38Å; Y800-N833 WeakPolarHBondContact CD2-ND2 2.98Å; Y800-N833 WeakPolarHBondContact CE2-ND2 3.48Å; Y800-N833 PolarHBondContact O-ND2 2.95Å |
| 801 | T | 89.8 | Confident | 88.3 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -89.8 | -17.2 | -178.4 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | A763 W797 H803 Q835 | A763-T801 WeakPolarHBondContact O-CG2 3.37Å; A763-T801 PolarHBondContact O-OG1 3.41Å; W797-T801 PolarHBondContact O-N 3.3Å; W797-T801 VanDerWaalsContact O-N 3.14Å; W797-T801 PolarHBondContact O-OG1 2.84Å; W797-T801 VanDerWaalsContact O-OG1 3.12Å; T801-H803 PolarHBondContact OG1-CD2 3.2Å; T801-H803 PolarHBondContact OG1-NE2 2.91Å; T801-Q835 PolarHBondContact O-NE2 3.4Å |
| 802 | G | 90.3 | Very high | 88.2 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 22% | 0.216 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 25.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A798 E804 Q835 | A798-G802 PolarHBondContact O-N 3.22Å; G802-E804 PolarHBondContact O-N 2.9Å; G802-Q835 VanDerWaalsContact CA-CD 3.46Å |
| 803 | H | 93.2 | Very high | 87.5 | Confident | 59 Ų | 59 | 41.3 Ų | 41.3 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | trans | -88.6 | 95.4 | -179 | -59.4 | -50.1 | 0 | 0 | 0 | 111.6 | S762 A763 G765 A798 T801 C806 L807 | S762-H803 PolarHBondContact O-CD2 3.28Å; A763-H803 PolarHBondContact O-NE2 2.67Å; G765-H803 WeakPolarHBondContact CA-CD2 3.29Å; G765-H803 PolarHBondContact N-CD2 3.14Å; G765-H803 PolarHBondContact N-NE2 2.87Å; A798-H803 PolarHBondContact O-N 2.82Å; T801-H803 PolarHBondContact OG1-CD2 3.2Å; T801-H803 PolarHBondContact OG1-NE2 2.91Å; H803-C806 HydrophobicContact CB-CB 4.03Å; H803-L807 WeakPolarHBondContact O-CB 3.35Å; H803-L807 PolarHBondContact O-N 3.12Å; H803-L807 VanDerWaalsContact O-N 3.14Å | ||
| 804 | E | 90.4 | Very high | 86.4 | Confident | 85 Ų | 85 | 43.3 Ų | 43.3 | 40% | 0.397 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.4 | -48.9 | -176 | 67.1 | -170.4 | 172.9 | 0 | 0 | 113.3 | G802 C806 L807 E808 S837 T838 M841 | G802-E804 PolarHBondContact O-N 2.9Å; E804-C806 VanDerWaalsContact C-N 3.31Å; E804-C806 PolarHBondContact O-N 2.91Å; E804-L807 CarbonylContact O-C 3.46Å; E804-L807 WeakPolarHBondContact O-CA 3.25Å; E804-L807 WeakPolarHBondContact O-CB 3.45Å; E804-L807 PolarHBondContact O-N 3.23Å; E804-E808 PolarHBondContact O-N 3.38Å; E804-S837 WeakPolarHBondContact OE2-CB 3.36Å; E804-T838 HydrophobicContact CB-CG2 4.4Å; E804-M841 HydrophobicContact CB-CE 3.95Å |
| 805 | D | 89.9 | Confident | 84.6 | Confident | 83 Ų | 83 | 45.3 Ų | 45.3 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -38.1 | -179 | -62.4 | -21.5 | 0 | 0 | 0 | 112.5 | T767 L807 E808 L809 | T767-D805 HydrophobicContact CG2-CB 3.23Å; D805-L807 VanDerWaalsContact C-N 3.31Å; D805-E808 PolarHBondContact O-N 2.94Å; D805-L809 WeakPolarHBondContact O-CG 3.43Å; D805-L809 PolarHBondContact O-N 2.88Å; D805-L809 VanDerWaalsContact O-N 3.12Å |
| 806 | C | 89.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 174.9 | -75.5 | 0 | 0 | 0 | 0 | 110.9 | L770 A798 H803 E804 L810 | L770-C806 HydrophobicContact CD2-CB 3.67Å; A798-C806 HydrophobicContact CB-CB 4.37Å; H803-C806 HydrophobicContact CB-CB 4.03Å; E804-C806 VanDerWaalsContact C-N 3.31Å; E804-C806 PolarHBondContact O-N 2.91Å; C806-L810 WeakPolarHBondContact O-CD1 3.49Å; C806-L810 WeakPolarHBondContact O-CG 3.45Å; C806-L810 PolarHBondContact O-N 3.39Å |
| 807 | L | 88.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69 | -40.4 | 178.1 | -179.3 | 64.2 | 0 | 0 | 0 | 111.7 | M795 A798 H803 E804 D805 L810 L811 T838 M841 L842 | M795-L807 HydrophobicContact CB-CD1 4.24Å; M795-L807 HydrophobicContact CG-CD1 4.2Å; A798-L807 HydrophobicContact CB-CB 4.39Å; H803-L807 WeakPolarHBondContact O-CB 3.35Å; H803-L807 PolarHBondContact O-N 3.12Å; H803-L807 VanDerWaalsContact O-N 3.14Å; E804-L807 CarbonylContact O-C 3.46Å; E804-L807 WeakPolarHBondContact O-CA 3.25Å; E804-L807 WeakPolarHBondContact O-CB 3.45Å; E804-L807 PolarHBondContact O-N 3.23Å; D805-L807 VanDerWaalsContact C-N 3.31Å; L807-L810 PolarHBondContact O-N 2.85Å; L807-L811 HydrophobicContact CD1-CD1 4.36Å; L807-L811 HydrophobicContact CD1-CG 4.32Å; L807-L811 HydrophobicContact CG-CD1 4Å; L807-L811 HydrophobicContact CG-CG 4.42Å; L807-L811 WeakPolarHBondContact O-CB 3.47Å; L807-L811 VanDerWaalsContact O-CG 3.26Å; L807-L811 WeakPolarHBondContact O-CG 3.35Å; L807-L811 PolarHBondContact O-N 2.87Å; L807-T838 HydrophobicContact CD2-CG2 4.12Å; L807-M841 HydrophobicContact CB-SD 4.22Å; L807-M841 HydrophobicContact CD2-SD 4.2Å; L807-M841 HydrophobicContact CG-SD 4.16Å; L807-L842 HydrophobicContact CD1-CD2 4.09Å; L807-L842 HydrophobicContact CD2-CD1 4.43Å; L807-L842 HydrophobicContact CD2-CD2 3.98Å; L807-L842 HydrophobicContact CD2-CG 3.86Å; L807-L842 HydrophobicContact CG-CD2 4.46Å |
| 808 | E | 88.9 | Confident | 79.8 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.7 | -51.8 | 174.3 | -173 | 174.2 | -152 | 0 | 0 | 110.5 | E804 D805 L810 L811 E812 M841 | E804-E808 PolarHBondContact O-N 3.38Å; D805-E808 PolarHBondContact O-N 2.94Å; E808-L810 VanDerWaalsContact C-N 3.32Å; E808-L810 PolarHBondContact O-N 3.23Å; E808-L811 PolarHBondContact O-N 3.19Å; E808-L811 VanDerWaalsContact O-N 3.13Å; E808-E812 WeakPolarHBondContact O-CG 3.45Å; E808-E812 PolarHBondContact O-N 2.95Å; E808-M841 HydrophobicContact CB-CE 3.94Å; E808-M841 HydrophobicContact CB-SD 3.82Å |
| 809 | L | 86.8 | Confident | 78.2 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 176.8 | -69.6 | 171 | 0 | 0 | 0 | 112.5 | D805 E812 H813 | D805-L809 WeakPolarHBondContact O-CG 3.43Å; D805-L809 PolarHBondContact O-N 2.88Å; D805-L809 VanDerWaalsContact O-N 3.12Å; L809-E812 PolarHBondContact O-N 3.29Å; L809-H813 PolarHBondContact O-CD2 3.32Å; L809-H813 VanDerWaalsContact O-CD2 3.27Å; L809-H813 PolarHBondContact O-N 2.96Å |
| 810 | L | 85.3 | Confident | 76.6 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | 177.6 | -71.5 | 167.8 | 0 | 0 | 0 | 112.5 | L770 L774 P794 M795 A798 C806 L807 E808 S814 | L770-L810 HydrophobicContact CD1-CD2 4.42Å; L770-L810 HydrophobicContact CD2-CD1 4.4Å; L770-L810 HydrophobicContact CD2-CD2 4.45Å; L770-L810 HydrophobicContact CD2-CG 4.12Å; L774-L810 HydrophobicContact CD1-CD2 4.22Å; L774-L810 HydrophobicContact CD2-CD2 4.36Å; P794-L810 HydrophobicContact CB-CD1 4.12Å; P794-L810 HydrophobicContact CB-CD2 4.23Å; M795-L810 HydrophobicContact CG-CB 3.92Å; M795-L810 HydrophobicContact CG-CD1 4.08Å; A798-L810 HydrophobicContact CB-CD1 4.3Å; C806-L810 WeakPolarHBondContact O-CD1 3.49Å; C806-L810 WeakPolarHBondContact O-CG 3.45Å; C806-L810 PolarHBondContact O-N 3.39Å; L807-L810 PolarHBondContact O-N 2.85Å; E808-L810 VanDerWaalsContact C-N 3.32Å; E808-L810 PolarHBondContact O-N 3.23Å; L810-S814 PolarHBondContact O-N 3.42Å; L810-S814 PolarHBondContact O-OG 3.16Å; L810-S814 VanDerWaalsContact O-OG 3.08Å |
| 811 | L | 82.9 | Confident | 75.5 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.6 | -37.8 | 177.5 | -74 | 169.4 | 0 | 0 | 0 | 112 | M795 L807 E808 P815 M841 A845 | M795-L811 HydrophobicContact SD-CD2 4.28Å; L807-L811 HydrophobicContact CD1-CD1 4.36Å; L807-L811 HydrophobicContact CD1-CG 4.32Å; L807-L811 HydrophobicContact CG-CD1 4Å; L807-L811 HydrophobicContact CG-CG 4.42Å; L807-L811 WeakPolarHBondContact O-CB 3.47Å; L807-L811 VanDerWaalsContact O-CG 3.26Å; L807-L811 WeakPolarHBondContact O-CG 3.35Å; L807-L811 PolarHBondContact O-N 2.87Å; E808-L811 PolarHBondContact O-N 3.19Å; E808-L811 VanDerWaalsContact O-N 3.13Å; L811-P815 WeakPolarHBondContact O-CD 3.33Å; L811-M841 HydrophobicContact CD1-CG 4.08Å; L811-M841 HydrophobicContact CD1-SD 4.38Å; L811-A845 HydrophobicContact CD1-CB 3.97Å; L811-A845 HydrophobicContact CD2-CB 4.44Å |
| 812 | E | 81.5 | Confident | 74.9 | Confident | 129 Ų | 129 | 59.6 Ų | 59.6 | 60% | 0.603 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 174.1 | -73.1 | -178.1 | 162.3 | 0 | 0 | 112 | E808 L809 | E808-E812 WeakPolarHBondContact O-CG 3.45Å; E808-E812 PolarHBondContact O-N 2.95Å; L809-E812 PolarHBondContact O-N 3.29Å |
| 813 | H | 72.3 | Confident | 74.5 | Confident | 89 Ų | 89 | 61.7 Ų | 61.7 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -83.4 | -29.1 | -174.6 | -82.8 | -89.1 | 0 | 0 | 0 | 114.3 | L809 | L809-H813 PolarHBondContact O-CD2 3.32Å; L809-H813 VanDerWaalsContact O-CD2 3.27Å; L809-H813 PolarHBondContact O-N 2.96Å |
| 814 | S | 62.3 | Low | 74.2 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | trans | -148.4 | 68.1 | -174.2 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | L810 F816 | L810-S814 PolarHBondContact O-N 3.42Å; L810-S814 PolarHBondContact O-OG 3.16Å; L810-S814 VanDerWaalsContact O-OG 3.08Å; S814-F816 PolarHBondContact O-N 3.24Å | ||
| 815 | P | 50.9 | Low | 74.1 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 37% | 0.37 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -6.8 | -173.1 | 21.4 | -30.5 | 0 | 0 | 0 | 115.6 | L811 | L811-P815 WeakPolarHBondContact O-CD 3.33Š|
| 816 | F | 50.3 | Low | 74 | Confident | 174 Ų | 174 | 52.8 Ų | 52.8 | 76% | 0.763 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | 11.6 | -170.9 | -64.8 | -71 | 0 | 0 | 0 | 116.6 | S814 | S814-F816 PolarHBondContact O-N 3.24Š|
| 817 | S | 53.5 | Low | 74.1 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | trans | -96.8 | 7.4 | -179.8 | 65.6 | 0 | 0 | 0 | 0 | 115.4 | M795 L819 E820 | M795-S817 VanDerWaalsContact CE-OG 3.28Å; M795-S817 WeakPolarHBondContact CE-OG 3.23Å; S817-L819 VanDerWaalsContact C-N 3.3Å; S817-L819 PolarHBondContact O-N 3.46Å; S817-E820 PolarHBondContact O-N 3.4Å | ||
| 818 | Y | 59 | Low | 74.2 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 9% | 0.094 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.7 | -174.5 | 67 | -91.3 | 0 | 0 | 0 | 114.9 | L846 I850 | Y818-L846 HydrophobicContact CD1-CD1 3.99Å; Y818-L846 HydrophobicContact CD1-CD2 3.94Å; Y818-L846 HydrophobicContact CD2-CD1 4.41Å; Y818-L846 HydrophobicContact CE1-CD1 4.14Å; Y818-L846 HydrophobicContact CE1-CD2 3.57Å; Y818-L846 HydrophobicContact CE1-CG 4.45Å; Y818-L846 HydrophobicContact CG-CD1 4.15Å; Y818-I850 HydrophobicContact CD2-CD1 4.36Å |
| 819 | L | 56 | Low | 74.3 | Confident | 119 Ų | 119 | 48.8 Ų | 48.8 | 62% | 0.623 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -3.9 | 177.5 | -79.8 | 160.3 | 0 | 0 | 0 | 113.2 | S817 | S817-L819 VanDerWaalsContact C-N 3.3Å; S817-L819 PolarHBondContact O-N 3.46Å |
| 820 | E | 58.3 | Low | 74.5 | Confident | 120 Ų | 120 | 48.1 Ų | 48.1 | 56% | 0.561 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -78.2 | 126.7 | 177 | -79 | -174.3 | 153.3 | 0 | 0 | 110.3 | V787 S817 N822 | V787-E820 WeakPolarHBondContact CG1-O 3.28Å; S817-E820 PolarHBondContact O-N 3.4Å; E820-N822 PolarHBondContact O-N 2.97Å |
| 821 | G | 66 | Low | 74.9 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 63% | 0.629 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 95.9 | -80.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 822 | N | 77.5 | Confident | 75.3 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | trans | -106.8 | 130.3 | -165.6 | -163.6 | -32.7 | 0 | 0 | 0 | 113.2 | S790 G791 Y792 E820 F824 | S790-N822 PolarHBondContact O-ND2 3.42Å; G791-N822 VanDerWaalsContact O-CB 3.29Å; G791-N822 WeakPolarHBondContact O-CB 3.43Å; G791-N822 PolarHBondContact O-N 3.21Å; Y792-N822 VanDerWaalsContact CE1-ND2 3.27Å; Y792-N822 WeakPolarHBondContact CE1-ND2 3.38Å; E820-N822 PolarHBondContact O-N 2.97Å; N822-F824 PolarHBondContact O-N 3.17Å; N822-F824 VanDerWaalsContact OD1-CB 3.3Å; N822-F824 WeakPolarHBondContact OD1-CB 2.84Å; N822-F824 PolarHBondContact OD1-N 3.36Å | ||
| 823 | P | 82.1 | Confident | 75.7 | Confident | 64 Ų | 64 | 45.6 Ų | 45.6 | 42% | 0.416 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -65.4 | -16.9 | 173.7 | 26.9 | -35.8 | 0 | 0 | 0 | 113.9 | T825 A856 | P823-T825 PolarHBondContact O-N 3.35Å; P823-A856 HydrophobicContact CG-CB 3.97Å |
| 824 | F | 87.1 | Confident | 76.6 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -81.7 | 93.4 | 174.8 | -165.7 | -94.2 | 0 | 0 | 0 | 110.5 | H796 N822 H828 C829 D855 | H796-F824 PolarHBondContact CD2-O 3.34Å; H796-F824 VanDerWaalsContact CD2-O 3.25Å; H796-F824 PolarHBondContact NE2-O 2.88Å; N822-F824 PolarHBondContact O-N 3.17Å; N822-F824 VanDerWaalsContact OD1-CB 3.3Å; N822-F824 WeakPolarHBondContact OD1-CB 2.84Å; N822-F824 PolarHBondContact OD1-N 3.36Å; F824-H828 HydrophobicContact CD1-CB 3.84Å; F824-H828 HydrophobicContact CD2-CB 3.94Å; F824-H828 HydrophobicContact CE1-CB 3.48Å; F824-H828 VanDerWaalsContact CE1-CB 3.48Å; F824-H828 HydrophobicContact CE2-CB 3.59Å; F824-H828 HydrophobicContact CG-CB 4.07Å; F824-H828 HydrophobicContact CZ-CB 3.36Å; F824-C829 VanDerWaalsContact CE1-SG 3.55Å; F824-D855 HydrophobicContact CD2-CB 4.02Å |
| 825 | T | 88.3 | Confident | 78 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | trans | -67.2 | 161.4 | -170.5 | 69.4 | 0 | 0 | 0 | 0 | 114 | P823 L827 H828 C829 S853 | P823-T825 PolarHBondContact O-N 3.35Å; T825-L827 PolarHBondContact O-N 3.01Å; T825-L827 VanDerWaalsContact O-N 3.12Å; T825-H828 PolarHBondContact N-ND1 3.39Å; T825-H828 WeakPolarHBondContact O-CB 3.27Å; T825-H828 PolarHBondContact O-N 3.04Å; T825-H828 PolarHBondContact OG1-ND1 3.17Å; T825-C829 PolarHBondContact O-N 3.36Å; T825-S853 PolarHBondContact OG1-OG 3.23Å | ||
| 826 | P | 88.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.1 | -29.7 | 176.8 | -24.9 | 34.3 | 0 | 0 | 0 | 113.7 | M795 H796 S799 H828 C829 A830 L842 | M795-P826 HydrophobicContact CB-CB 4.48Å; M795-P826 HydrophobicContact CB-CG 4.12Å; H796-P826 VanDerWaalsContact NE2-CD 3.35Å; H796-P826 WeakPolarHBondContact NE2-CD 3.47Å; S799-P826 WeakPolarHBondContact CB-O 3.37Å; P826-H828 VanDerWaalsContact C-N 3.34Å; P826-H828 PolarHBondContact O-N 3.42Å; P826-C829 WeakPolarHBondContact O-CB 3.22Å; P826-C829 PolarHBondContact O-N 3.44Å; P826-C829 VanDerWaalsContact O-N 3.16Å; P826-A830 PolarHBondContact O-N 3.25Å; P826-L842 HydrophobicContact CB-CD1 4.22Å |
| 827 | L | 90 | Very high | 81.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.4 | -36.4 | 175 | -175.4 | 64.2 | 0 | 0 | 0 | 112 | T825 C829 A830 V831 T839 L842 L843 I850 P861 L877 | T825-L827 PolarHBondContact O-N 3.01Å; T825-L827 VanDerWaalsContact O-N 3.12Å; L827-C829 VanDerWaalsContact C-N 3.3Å; L827-C829 PolarHBondContact O-N 3.32Å; L827-A830 PolarHBondContact O-N 3.24Å; L827-V831 HydrophobicContact CD1-CG2 3.96Å; L827-V831 HydrophobicContact CG-CG2 4.24Å; L827-V831 VanDerWaalsContact O-CB 3.31Å; L827-V831 WeakPolarHBondContact O-CB 3.41Å; L827-V831 WeakPolarHBondContact O-CG2 3.48Å; L827-V831 PolarHBondContact O-N 3.35Å; L827-T839 HydrophobicContact CD1-CG2 3.82Å; L827-L842 HydrophobicContact CB-CD1 4.2Å; L827-L842 HydrophobicContact CD1-CB 4.17Å; L827-L842 HydrophobicContact CD1-CD1 4.22Å; L827-L843 HydrophobicContact CD1-CD2 4.35Å; L827-L843 HydrophobicContact CD1-CG 4.28Å; L827-L843 HydrophobicContact CD2-CD2 3.94Å; L827-I850 HydrophobicContact CB-CD1 3.64Å; L827-I850 HydrophobicContact CB-CG1 3.78Å; L827-I850 HydrophobicContact CD2-CB 4.31Å; L827-I850 HydrophobicContact CD2-CD1 4.46Å; L827-I850 HydrophobicContact CD2-CG1 3.86Å; L827-I850 HydrophobicContact CD2-CG2 3.83Å; L827-I850 HydrophobicContact CG-CG1 4.48Å; L827-P861 HydrophobicContact CD2-CB 4.04Å; L827-P861 HydrophobicContact CD2-CG 3.82Å; L827-P861 HydrophobicContact CG-CB 4.09Å; L827-P861 HydrophobicContact CG-CG 4.14Å; L827-L877 HydrophobicContact CD2-CD2 4.05Å |
| 828 | H | 90.8 | Very high | 83.4 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 172.9 | -67 | 88.7 | 0 | 0 | 0 | 111.2 | F824 T825 P826 I832 S853 R859 P861 | F824-H828 HydrophobicContact CD1-CB 3.84Å; F824-H828 HydrophobicContact CD2-CB 3.94Å; F824-H828 HydrophobicContact CE1-CB 3.48Å; F824-H828 VanDerWaalsContact CE1-CB 3.48Å; F824-H828 HydrophobicContact CE2-CB 3.59Å; F824-H828 HydrophobicContact CG-CB 4.07Å; F824-H828 HydrophobicContact CZ-CB 3.36Å; T825-H828 PolarHBondContact N-ND1 3.39Å; T825-H828 WeakPolarHBondContact O-CB 3.27Å; T825-H828 PolarHBondContact O-N 3.04Å; T825-H828 PolarHBondContact OG1-ND1 3.17Å; P826-H828 VanDerWaalsContact C-N 3.34Å; P826-H828 PolarHBondContact O-N 3.42Å; H828-I832 WeakPolarHBondContact O-CB 3.37Å; H828-I832 WeakPolarHBondContact O-CG2 3.19Å; H828-I832 PolarHBondContact O-N 2.75Å; H828-I832 VanDerWaalsContact O-N 3.11Å; H828-S853 PolarHBondContact CE1-OG 2.79Å; H828-R859 PolarHBondContact NE2-O 3.41Å; H828-P861 WeakPolarHBondContact NE2-CD 3.32Å |
| 829 | C | 90.3 | Very high | 84.9 | Confident | 7 Ų | 7 | 38 Ų | 38 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 175.4 | -66.1 | 0 | 0 | 0 | 0 | 112.8 | F824 T825 P826 L827 I832 N833 | F824-C829 VanDerWaalsContact CE1-SG 3.55Å; T825-C829 PolarHBondContact O-N 3.36Å; P826-C829 WeakPolarHBondContact O-CB 3.22Å; P826-C829 PolarHBondContact O-N 3.44Å; P826-C829 VanDerWaalsContact O-N 3.16Å; L827-C829 VanDerWaalsContact C-N 3.3Å; L827-C829 PolarHBondContact O-N 3.32Å; C829-I832 WeakPolarHBondContact O-CG2 3.48Å; C829-N833 PolarHBondContact O-N 3.43Å |
| 830 | A | 92.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S799 P826 L827 N833 N834 Q835 T838 T839 L842 | S799-A830 WeakPolarHBondContact O-CA 3.46Å; P826-A830 PolarHBondContact O-N 3.25Å; L827-A830 PolarHBondContact O-N 3.24Å; A830-N833 PolarHBondContact O-N 2.82Å; A830-N834 PolarHBondContact O-N 3.45Å; A830-Q835 HydrophobicContact CB-CB 4.39Å; A830-Q835 PolarHBondContact O-N 3.32Å; A830-T838 WeakPolarHBondContact CB-OG1 3.43Å; A830-T839 WeakPolarHBondContact CB-OG1 3.36Å; A830-L842 HydrophobicContact CB-CD1 4.23Å |
| 831 | V | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.4 | -39.2 | -174.6 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | L827 N833 N834 T839 A864 A865 N870 L877 | L827-V831 HydrophobicContact CD1-CG2 3.96Å; L827-V831 HydrophobicContact CG-CG2 4.24Å; L827-V831 VanDerWaalsContact O-CB 3.31Å; L827-V831 WeakPolarHBondContact O-CB 3.41Å; L827-V831 WeakPolarHBondContact O-CG2 3.48Å; L827-V831 PolarHBondContact O-N 3.35Å; V831-N833 VanDerWaalsContact C-N 3.28Å; V831-N833 PolarHBondContact O-N 3.04Å; V831-N834 PolarHBondContact O-N 3.37Å; V831-T839 HydrophobicContact CG2-CG2 3.7Å; V831-A864 HydrophobicContact CG1-CB 4.47Å; V831-A865 HydrophobicContact CG1-CB 3.27Å; V831-A865 VanDerWaalsContact CG1-N 3.35Å; V831-N870 PolarHBondContact O-ND2 3.42Å; V831-N870 VanDerWaalsContact O-ND2 3.08Å; V831-L877 HydrophobicContact CG1-CD1 4.21Å; V831-L877 HydrophobicContact CG2-CD1 4.25Å |
| 832 | I | 91.7 | Very high | 88.9 | Confident | 51 Ų | 51 | 32.3 Ų | 32.3 | 26% | 0.262 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.8 | -25.8 | -179.2 | -156.4 | 170.3 | 0 | 0 | 0 | 112.8 | H828 C829 A864 F867 A868 | H828-I832 WeakPolarHBondContact O-CB 3.37Å; H828-I832 WeakPolarHBondContact O-CG2 3.19Å; H828-I832 PolarHBondContact O-N 2.75Å; H828-I832 VanDerWaalsContact O-N 3.11Å; C829-I832 WeakPolarHBondContact O-CG2 3.48Å; I832-A864 HydrophobicContact CB-CB 4.39Å; I832-F867 HydrophobicContact CD1-CD1 4.08Å; I832-F867 HydrophobicContact CD1-CE1 4.41Å; I832-F867 HydrophobicContact CG1-CD1 4.2Å; I832-A868 HydrophobicContact CG1-CB 4.29Å; I832-A868 VanDerWaalsContact O-CB 3.23Å; I832-A868 WeakPolarHBondContact O-CB 3.17Å |
| 833 | N | 91 | Very high | 89.4 | Confident | 53 Ų | 53 | 31 Ų | 31 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 11.8 | 177.7 | -71.5 | -29.3 | 0 | 0 | 0 | 113.4 | Y800 C829 A830 V831 Q835 | Y800-N833 WeakPolarHBondContact CD2-ND2 2.98Å; Y800-N833 WeakPolarHBondContact CE2-ND2 3.48Å; Y800-N833 PolarHBondContact O-ND2 2.95Å; C829-N833 PolarHBondContact O-N 3.43Å; A830-N833 PolarHBondContact O-N 2.82Å; V831-N833 VanDerWaalsContact C-N 3.28Å; V831-N833 PolarHBondContact O-N 3.04Å; N833-Q835 VanDerWaalsContact C-N 3.33Å; N833-Q835 HydrophobicContact CB-CG 4.05Å; N833-Q835 PolarHBondContact O-N 3.45Å |
| 834 | N | 90.4 | Very high | 89.5 | Confident | 78 Ų | 78 | 30.9 Ų | 30.9 | 42% | 0.417 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 38.8 | 178.9 | -56.9 | -29.2 | 0 | 0 | 0 | 114.2 | A830 V831 D836 N870 | A830-N834 PolarHBondContact O-N 3.45Å; V831-N834 PolarHBondContact O-N 3.37Å; N834-D836 PolarHBondContact O-N 3.35Å; N834-N870 WeakPolarHBondContact OD1-CB 3.39Å; N834-N870 VanDerWaalsContact OD1-CG 3.24Å; N834-N870 PolarHBondContact OD1-ND2 3.18Å |
| 835 | Q | 91.9 | Very high | 89.3 | Confident | 55 Ų | 55 | 32 Ų | 32 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | trans | -93.2 | 86.7 | 178.5 | -55.4 | -63.1 | -6.1 | 0 | 0 | 110.4 | T801 G802 A830 N833 T838 T839 | T801-Q835 PolarHBondContact O-NE2 3.4Å; G802-Q835 VanDerWaalsContact CA-CD 3.46Å; A830-Q835 HydrophobicContact CB-CB 4.39Å; A830-Q835 PolarHBondContact O-N 3.32Å; N833-Q835 VanDerWaalsContact C-N 3.33Å; N833-Q835 HydrophobicContact CB-CG 4.05Å; N833-Q835 PolarHBondContact O-N 3.45Å; Q835-T838 WeakPolarHBondContact CB-OG1 3.39Å; Q835-T838 PolarHBondContact O-OG1 3.18Å; Q835-T839 VanDerWaalsContact O-CB 3.3Å; Q835-T839 WeakPolarHBondContact O-CB 3.4Å; Q835-T839 PolarHBondContact O-N 3.16Å; Q835-T839 VanDerWaalsContact O-N 3.07Å; Q835-T839 PolarHBondContact O-OG1 3.11Å | ||
| 836 | D | 89.8 | Confident | 88.8 | Confident | 59 Ų | 59 | 33 Ų | 33 | 32% | 0.316 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66 | -45.8 | -172.1 | -67.5 | -20.3 | 0 | 0 | 0 | 112.7 | N834 T839 E840 N870 S872 M876 | N834-D836 PolarHBondContact O-N 3.35Å; D836-T839 WeakPolarHBondContact O-CB 3.47Å; D836-T839 PolarHBondContact O-N 3.26Å; D836-E840 PolarHBondContact O-N 3.35Å; D836-N870 PolarHBondContact OD1-OD1 3.49Å; D836-S872 VanDerWaalsContact CG-CB 3.47Å; D836-S872 WeakPolarHBondContact OD1-CB 3.42Å; D836-S872 PolarHBondContact OD1-OG 3.42Å; D836-S872 WeakPolarHBondContact OD2-CB 3.49Å; D836-S872 PolarHBondContact OD2-OG 3.32Å; D836-M876 WeakPolarHBondContact O-CE 3.47Å |
| 837 | S | 89.2 | Confident | 88.1 | Confident | 61 Ų | 61 | 34.1 Ų | 34.1 | 43% | 0.427 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65 | -44 | -177.8 | -47.1 | 0 | 0 | 0 | 0 | 112.9 | E804 T839 E840 M841 | E804-S837 WeakPolarHBondContact OE2-CB 3.36Å; S837-T839 VanDerWaalsContact C-N 3.3Å; S837-T839 PolarHBondContact O-N 2.96Å; S837-E840 PolarHBondContact O-N 3.36Å; S837-M841 WeakPolarHBondContact O-CB 3.38Å; S837-M841 PolarHBondContact O-N 3.14Å |
| 838 | T | 89.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.3 | -34.6 | 176.2 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | E804 L807 A830 Q835 M841 L842 | E804-T838 HydrophobicContact CB-CG2 4.4Å; L807-T838 HydrophobicContact CD2-CG2 4.12Å; A830-T838 WeakPolarHBondContact CB-OG1 3.43Å; Q835-T838 WeakPolarHBondContact CB-OG1 3.39Å; Q835-T838 PolarHBondContact O-OG1 3.18Å; T838-M841 PolarHBondContact O-N 2.87Å; T838-L842 WeakPolarHBondContact O-CB 3.34Å; T838-L842 VanDerWaalsContact O-CG 3.24Å; T838-L842 WeakPolarHBondContact O-CG 3.16Å; T838-L842 PolarHBondContact O-N 3.07Å |
| 839 | T | 90.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 171.8 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | L827 A830 V831 Q835 D836 S837 L842 L843 M876 | L827-T839 HydrophobicContact CD1-CG2 3.82Å; A830-T839 WeakPolarHBondContact CB-OG1 3.36Å; V831-T839 HydrophobicContact CG2-CG2 3.7Å; Q835-T839 VanDerWaalsContact O-CB 3.3Å; Q835-T839 WeakPolarHBondContact O-CB 3.4Å; Q835-T839 PolarHBondContact O-N 3.16Å; Q835-T839 VanDerWaalsContact O-N 3.07Å; Q835-T839 PolarHBondContact O-OG1 3.11Å; D836-T839 WeakPolarHBondContact O-CB 3.47Å; D836-T839 PolarHBondContact O-N 3.26Å; S837-T839 VanDerWaalsContact C-N 3.3Å; S837-T839 PolarHBondContact O-N 2.96Å; T839-L842 PolarHBondContact O-N 2.75Å; T839-L843 HydrophobicContact CG2-CD1 3.9Å; T839-L843 HydrophobicContact CG2-CG 4.39Å; T839-L843 WeakPolarHBondContact O-CB 3.4Å; T839-L843 WeakPolarHBondContact O-CG 3.27Å; T839-L843 PolarHBondContact O-N 3.46Å; T839-M876 HydrophobicContact CG2-CE 3.8Å |
| 840 | E | 90 | Very high | 85.7 | Confident | 131 Ų | 131 | 44.9 Ų | 44.9 | 61% | 0.612 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.2 | -46.2 | 179.9 | -166 | 169.3 | -173.2 | 0 | 0 | 111.1 | D836 S837 L843 G844 M876 | D836-E840 PolarHBondContact O-N 3.35Å; S837-E840 PolarHBondContact O-N 3.36Å; E840-L843 PolarHBondContact O-N 3.23Å; E840-G844 PolarHBondContact O-N 3.09Å; E840-M876 HydrophobicContact CB-CE 3.37Å; E840-M876 HydrophobicContact CG-CE 4Å |
| 841 | M | 87.3 | Confident | 85.4 | Confident | 47 Ų | 47 | 44.9 Ų | 44.9 | 23% | 0.232 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 178.6 | -172.2 | 179.4 | -76.1 | 0 | 0 | 112.1 | E804 L807 E808 L811 S837 T838 L843 G844 A845 | E804-M841 HydrophobicContact CB-CE 3.95Å; L807-M841 HydrophobicContact CB-SD 4.22Å; L807-M841 HydrophobicContact CD2-SD 4.2Å; L807-M841 HydrophobicContact CG-SD 4.16Å; E808-M841 HydrophobicContact CB-CE 3.94Å; E808-M841 HydrophobicContact CB-SD 3.82Å; L811-M841 HydrophobicContact CD1-CG 4.08Å; L811-M841 HydrophobicContact CD1-SD 4.38Å; S837-M841 WeakPolarHBondContact O-CB 3.38Å; S837-M841 PolarHBondContact O-N 3.14Å; T838-M841 PolarHBondContact O-N 2.87Å; M841-L843 VanDerWaalsContact C-N 3.35Å; M841-L843 PolarHBondContact O-N 3.48Å; M841-G844 PolarHBondContact O-N 2.99Å; M841-A845 WeakPolarHBondContact O-CB 3.38Å; M841-A845 PolarHBondContact O-N 3.07Å |
| 842 | L | 87.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.5 | -73 | 173.2 | 0 | 0 | 0 | 112 | L807 P826 L827 A830 T838 T839 L846 | L807-L842 HydrophobicContact CD1-CD2 4.09Å; L807-L842 HydrophobicContact CD2-CD1 4.43Å; L807-L842 HydrophobicContact CD2-CD2 3.98Å; L807-L842 HydrophobicContact CD2-CG 3.86Å; L807-L842 HydrophobicContact CG-CD2 4.46Å; P826-L842 HydrophobicContact CB-CD1 4.22Å; L827-L842 HydrophobicContact CB-CD1 4.2Å; L827-L842 HydrophobicContact CD1-CB 4.17Å; L827-L842 HydrophobicContact CD1-CD1 4.22Å; A830-L842 HydrophobicContact CB-CD1 4.23Å; T838-L842 WeakPolarHBondContact O-CB 3.34Å; T838-L842 VanDerWaalsContact O-CG 3.24Å; T838-L842 WeakPolarHBondContact O-CG 3.16Å; T838-L842 PolarHBondContact O-N 3.07Å; T839-L842 PolarHBondContact O-N 2.75Å; L842-L846 HydrophobicContact CD2-CD1 4.15Å; L842-L846 WeakPolarHBondContact O-CB 2.92Å; L842-L846 PolarHBondContact O-N 3.2Å |
| 843 | L | 87.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 178 | -71.5 | 175.7 | 0 | 0 | 0 | 112 | L827 T839 E840 M841 G847 V851 M876 L877 H880 | L827-L843 HydrophobicContact CD1-CD2 4.35Å; L827-L843 HydrophobicContact CD1-CG 4.28Å; L827-L843 HydrophobicContact CD2-CD2 3.94Å; T839-L843 HydrophobicContact CG2-CD1 3.9Å; T839-L843 HydrophobicContact CG2-CG 4.39Å; T839-L843 WeakPolarHBondContact O-CB 3.4Å; T839-L843 WeakPolarHBondContact O-CG 3.27Å; T839-L843 PolarHBondContact O-N 3.46Å; E840-L843 PolarHBondContact O-N 3.23Å; M841-L843 VanDerWaalsContact C-N 3.35Å; M841-L843 PolarHBondContact O-N 3.48Å; L843-G847 VanDerWaalsContact O-CA 3.22Å; L843-G847 WeakPolarHBondContact O-CA 3.38Å; L843-G847 PolarHBondContact O-N 2.84Å; L843-V851 HydrophobicContact CD2-CG2 3.39Å; L843-M876 HydrophobicContact CD1-CB 3.89Å; L843-M876 HydrophobicContact CD1-CE 4.18Å; L843-L877 HydrophobicContact CD1-CD2 4.46Å; L843-L877 HydrophobicContact CD2-CD2 4.16Å; L843-H880 HydrophobicContact CD2-CB 4.4Å |
| 844 | G | 84.2 | Confident | 84.7 | Confident | 61 Ų | 61 | 48.7 Ų | 48.7 | 63% | 0.629 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.1 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E840 M841 | E840-G844 PolarHBondContact O-N 3.09Å; M841-G844 PolarHBondContact O-N 2.99Å |
| 845 | A | 82.3 | Confident | 84.6 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -77 | -42.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L811 M841 | L811-A845 HydrophobicContact CD1-CB 3.97Å; L811-A845 HydrophobicContact CD2-CB 4.44Å; M841-A845 WeakPolarHBondContact O-CB 3.38Å; M841-A845 PolarHBondContact O-N 3.07Å |
| 846 | L | 77.4 | Confident | 84.4 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -103.8 | -12.8 | -171.3 | -58.2 | 175.7 | 0 | 0 | 0 | 113.5 | Y818 L842 I850 | Y818-L846 HydrophobicContact CD1-CD1 3.99Å; Y818-L846 HydrophobicContact CD1-CD2 3.94Å; Y818-L846 HydrophobicContact CD2-CD1 4.41Å; Y818-L846 HydrophobicContact CE1-CD1 4.14Å; Y818-L846 HydrophobicContact CE1-CD2 3.57Å; Y818-L846 HydrophobicContact CE1-CG 4.45Å; Y818-L846 HydrophobicContact CG-CD1 4.15Å; L842-L846 HydrophobicContact CD2-CD1 4.15Å; L842-L846 WeakPolarHBondContact O-CB 2.92Å; L842-L846 PolarHBondContact O-N 3.2Å; L846-I850 HydrophobicContact CB-CB 4.21Å; L846-I850 HydrophobicContact CB-CG2 3.74Å; L846-I850 HydrophobicContact CD1-CD1 3.6Å |
| 847 | G | 74.9 | Confident | 84.2 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -149.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L843 K849 I850 V851 | L843-G847 VanDerWaalsContact O-CA 3.22Å; L843-G847 WeakPolarHBondContact O-CA 3.38Å; L843-G847 PolarHBondContact O-N 2.84Å; G847-K849 PolarHBondContact O-N 3.05Å; G847-K849 VanDerWaalsContact O-N 3.07Å; G847-I850 WeakPolarHBondContact O-CG2 3.19Å; G847-I850 PolarHBondContact O-N 3.09Å; G847-V851 WeakPolarHBondContact O-CG2 3.3Å |
| 848 | A | 67.9 | Low | 84.2 | Confident | 64 Ų | 64 | 46.9 Ų | 46.9 | 53% | 0.529 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -13.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 849 | K | 71.9 | Confident | 84.2 | Confident | 169 Ų | 169 | 50.8 Ų | 50.8 | 74% | 0.735 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.5 | -34.6 | -177.1 | -68.8 | -177.9 | -179 | 177 | 0 | 112.8 | G847 | G847-K849 PolarHBondContact O-N 3.05Å; G847-K849 VanDerWaalsContact O-N 3.07Å |
| 850 | I | 80.6 | Confident | 84.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -90 | -25.2 | -177.7 | -167 | 163.8 | 0 | 0 | 0 | 112.6 | Y818 L827 L846 G847 N852 S853 | Y818-I850 HydrophobicContact CD2-CD1 4.36Å; L827-I850 HydrophobicContact CB-CD1 3.64Å; L827-I850 HydrophobicContact CB-CG1 3.78Å; L827-I850 HydrophobicContact CD2-CB 4.31Å; L827-I850 HydrophobicContact CD2-CD1 4.46Å; L827-I850 HydrophobicContact CD2-CG1 3.86Å; L827-I850 HydrophobicContact CD2-CG2 3.83Å; L827-I850 HydrophobicContact CG-CG1 4.48Å; L846-I850 HydrophobicContact CB-CB 4.21Å; L846-I850 HydrophobicContact CB-CG2 3.74Å; L846-I850 HydrophobicContact CD1-CD1 3.6Å; G847-I850 WeakPolarHBondContact O-CG2 3.19Å; G847-I850 PolarHBondContact O-N 3.09Å; I850-N852 VanDerWaalsContact C-N 3.33Å; I850-N852 PolarHBondContact O-N 3.09Å; I850-S853 VanDerWaalsContact O-CB 3.31Å; I850-S853 WeakPolarHBondContact O-CB 3.32Å; I850-S853 PolarHBondContact O-N 3.44Å; I850-S853 VanDerWaalsContact O-N 3.13Å; I850-S853 PolarHBondContact O-OG 3Å |
| 851 | V | 84.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -40.1 | -174.8 | 178.3 | 0 | 0 | 0 | 0 | 112.9 | L843 G847 P861 L877 H880 A882 | L843-V851 HydrophobicContact CD2-CG2 3.39Å; G847-V851 WeakPolarHBondContact O-CG2 3.3Å; V851-P861 WeakPolarHBondContact O-CD 3.29Å; V851-L877 HydrophobicContact CG1-CD2 4.36Å; V851-H880 HydrophobicContact CG2-CB 4.07Å; V851-A882 VanDerWaalsContact CG1-CA 3.46Å; V851-A882 HydrophobicContact CG1-CB 3.44Å; V851-A882 VanDerWaalsContact CG1-CB 3.44Å |
| 852 | N | 86.1 | Confident | 84.7 | Confident | 48 Ų | 48 | 42.4 Ų | 42.4 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 19.5 | 179.6 | -63.4 | -43.2 | 0 | 0 | 0 | 112.3 | I850 E883 | I850-N852 VanDerWaalsContact C-N 3.33Å; I850-N852 PolarHBondContact O-N 3.09Å; N852-E883 PolarHBondContact OD1-N 3.23Å; N852-E883 VanDerWaalsContact OD1-N 3.09Å |
| 853 | S | 87.8 | Confident | 84.9 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | trans | -60.4 | 144.2 | 172.2 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | T825 H828 I850 T860 P861 | T825-S853 PolarHBondContact OG1-OG 3.23Å; H828-S853 PolarHBondContact CE1-OG 2.79Å; I850-S853 VanDerWaalsContact O-CB 3.31Å; I850-S853 WeakPolarHBondContact O-CB 3.32Å; I850-S853 PolarHBondContact O-N 3.44Å; I850-S853 VanDerWaalsContact O-N 3.13Å; I850-S853 PolarHBondContact O-OG 3Å; S853-T860 WeakPolarHBondContact O-CA 3.33Å; S853-P861 VanDerWaalsContact O-CD 3.3Å; S853-P861 WeakPolarHBondContact O-CD 3.42Å | ||
| 854 | R | 88.1 | Confident | 85.2 | Confident | 116 Ų | 116 | 42.9 Ų | 42.9 | 44% | 0.438 | 25% | 0.252 | S | S | . | . | trans | -115.1 | 129.3 | -177.9 | -70.3 | -179.5 | 175.8 | -113.8 | 2.3 | 109.6 | G858 R859 T860 T887 | R854-G858 PolarHBondContact NH1-O 3.45Å; R854-R859 WeakPolarHBondContact CA-O 3.35Å; R854-T860 HydrophobicContact CG-CG2 4.3Å; R854-T887 PolarHBondContact NH1-O 3.03Å | ||
| 855 | D | 88.4 | Confident | 85.7 | Confident | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.059 | 22% | 0.222 | C | C | . | . | trans | -72.7 | -178.4 | 172 | 79.8 | -5 | 0 | 0 | 0 | 112.1 | F824 K857 G858 R859 | F824-D855 HydrophobicContact CD2-CB 4.02Å; D855-K857 PolarHBondContact O-N 3.02Å; D855-K857 VanDerWaalsContact OD1-CA 3.32Å; D855-K857 WeakPolarHBondContact OD1-CA 3.47Å; D855-K857 WeakPolarHBondContact OD1-CB 3.32Å; D855-K857 PolarHBondContact OD1-N 3.26Å; D855-G858 PolarHBondContact O-N 3.42Å; D855-G858 PolarHBondContact OD1-N 3.47Å; D855-G858 VanDerWaalsContact OD1-N 3.07Å; D855-R859 PolarHBondContact N-O 2.88Å; D855-R859 WeakPolarHBondContact OD1-CB 3.42Å; D855-R859 PolarHBondContact OD1-N 3.17Å; D855-R859 IonicContact OD1-NE 3.84Å; D855-R859 IonicContact OD2-CZ 3.11Å; D855-R859 IonicContact OD2-NE 3.14Å; D855-R859 PolarHBondContact OD2-NE 3.35Å; D855-R859 IonicContact OD2-NH2 2.71Å; D855-R859 PolarHBondContact OD2-NH2 2.66Å | ||
| 856 | A | 86.7 | Confident | 86.2 | Confident | 77 Ų | 77 | 37.1 Ų | 37.1 | 64% | 0.636 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P823 H889 | P823-A856 HydrophobicContact CG-CB 3.97Å; A856-H889 PolarHBondContact O-CE1 3.13Å |
| 857 | K | 86.4 | Confident | 87 | Confident | 128 Ų | 128 | 40.3 Ų | 40.3 | 56% | 0.557 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101 | 6.4 | 177.2 | -61.8 | -175.9 | -179.4 | -178.7 | 0 | 112.5 | D855 R859 H889 | D855-K857 PolarHBondContact O-N 3.02Å; D855-K857 VanDerWaalsContact OD1-CA 3.32Å; D855-K857 WeakPolarHBondContact OD1-CA 3.47Å; D855-K857 WeakPolarHBondContact OD1-CB 3.32Å; D855-K857 PolarHBondContact OD1-N 3.26Å; K857-R859 VanDerWaalsContact C-N 3.26Å; K857-R859 HydrophobicContact CB-CG 4.14Å; K857-R859 PolarHBondContact O-N 3.38Å; K857-H889 VanDerWaalsContact C-ND1 3.32Å; K857-H889 WeakPolarHBondContact O-CB 3.48Å; K857-H889 VanDerWaalsContact O-CG 3.24Å; K857-H889 PolarHBondContact O-N 2.98Å; K857-H889 VanDerWaalsContact O-N 3.13Å; K857-H889 PolarHBondContact O-ND1 3.11Å |
| 858 | G | 87.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 77.8 | 8.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R854 D855 H889 | R854-G858 PolarHBondContact NH1-O 3.45Å; D855-G858 PolarHBondContact O-N 3.42Å; D855-G858 PolarHBondContact OD1-N 3.47Å; D855-G858 VanDerWaalsContact OD1-N 3.07Å; G858-H889 WeakPolarHBondContact CA-NE2 3.19Å; G858-H889 PolarHBondContact N-CE1 3.49Å |
| 859 | R | 90.8 | Very high | 89 | Confident | 82 Ų | 82 | 39.2 Ų | 39.2 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | trans | -80.2 | 140.1 | -177.9 | -59.6 | 176.7 | -63.1 | 173.3 | 4.7 | 109.9 | H828 R854 D855 K857 H863 D888 | H828-R859 PolarHBondContact NE2-O 3.41Å; R854-R859 WeakPolarHBondContact CA-O 3.35Å; D855-R859 PolarHBondContact N-O 2.88Å; D855-R859 WeakPolarHBondContact OD1-CB 3.42Å; D855-R859 PolarHBondContact OD1-N 3.17Å; D855-R859 IonicContact OD1-NE 3.84Å; D855-R859 IonicContact OD2-CZ 3.11Å; D855-R859 IonicContact OD2-NE 3.14Å; D855-R859 PolarHBondContact OD2-NE 3.35Å; D855-R859 IonicContact OD2-NH2 2.71Å; D855-R859 PolarHBondContact OD2-NH2 2.66Å; K857-R859 VanDerWaalsContact C-N 3.26Å; K857-R859 HydrophobicContact CB-CG 4.14Å; K857-R859 PolarHBondContact O-N 3.38Å; R859-H863 HydrophobicContact CB-CB 4.04Å; R859-D888 HydrophobicContact CG-CB 3.78Å | ||
| 860 | T | 92.3 | Very high | 90 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | trans | -92.8 | 164.9 | 174.5 | 66.2 | 0 | 0 | 0 | 0 | 111.3 | S853 R854 L862 H863 A864 A886 | S853-T860 WeakPolarHBondContact O-CA 3.33Å; R854-T860 HydrophobicContact CG-CG2 4.3Å; T860-L862 PolarHBondContact O-N 2.9Å; T860-L862 VanDerWaalsContact O-N 3.08Å; T860-L862 PolarHBondContact OG1-N 3.33Å; T860-H863 PolarHBondContact N-ND1 2.9Å; T860-H863 VanDerWaalsContact N-ND1 3.18Å; T860-H863 WeakPolarHBondContact O-CA 3.34Å; T860-H863 VanDerWaalsContact O-CB 3.32Å; T860-H863 WeakPolarHBondContact O-CB 3.35Å; T860-H863 PolarHBondContact O-N 3.39Å; T860-H863 PolarHBondContact OG1-ND1 2.64Å; T860-A864 PolarHBondContact O-N 3.35Å; T860-A886 HydrophobicContact CG2-CB 4.07Å | ||
| 861 | P | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -52.7 | -30 | 170.8 | -28 | 34.1 | 0 | 0 | 0 | 113.3 | L827 H828 V851 S853 H863 A864 A865 L877 | L827-P861 HydrophobicContact CD2-CB 4.04Å; L827-P861 HydrophobicContact CD2-CG 3.82Å; L827-P861 HydrophobicContact CG-CB 4.09Å; L827-P861 HydrophobicContact CG-CG 4.14Å; H828-P861 WeakPolarHBondContact NE2-CD 3.32Å; V851-P861 WeakPolarHBondContact O-CD 3.29Å; S853-P861 VanDerWaalsContact O-CD 3.3Å; S853-P861 WeakPolarHBondContact O-CD 3.42Å; P861-H863 VanDerWaalsContact C-N 3.32Å; P861-H863 PolarHBondContact O-N 3.39Å; P861-A864 WeakPolarHBondContact O-CB 3.17Å; P861-A864 PolarHBondContact O-N 2.98Å; P861-A864 VanDerWaalsContact O-N 3.15Å; P861-A865 PolarHBondContact O-N 2.81Å; P861-L877 HydrophobicContact CB-CD1 4.13Å; P861-L877 HydrophobicContact CB-CD2 3.99Å |
| 862 | L | 92.7 | Very high | 91 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -35.3 | 175 | -162.3 | 75.7 | 0 | 0 | 0 | 112.5 | T860 A865 A866 L874 L877 L878 A882 A894 | T860-L862 PolarHBondContact O-N 2.9Å; T860-L862 VanDerWaalsContact O-N 3.08Å; T860-L862 PolarHBondContact OG1-N 3.33Å; L862-A865 PolarHBondContact O-N 3Å; L862-A866 WeakPolarHBondContact O-CB 3.35Å; L862-A866 PolarHBondContact O-N 2.98Å; L862-L874 HydrophobicContact CD1-CD2 3.58Å; L862-L874 HydrophobicContact CG-CD2 4.06Å; L862-L877 HydrophobicContact CB-CD1 4.47Å; L862-L877 HydrophobicContact CD1-CB 3.92Å; L862-L877 HydrophobicContact CD1-CD1 4.11Å; L862-L878 HydrophobicContact CD1-CD2 4.17Å; L862-L878 HydrophobicContact CD1-CG 4.29Å; L862-L878 HydrophobicContact CD2-CD2 4.37Å; L862-A882 HydrophobicContact CD1-CB 4.3Å; L862-A894 HydrophobicContact CB-CB 4.47Å; L862-A894 HydrophobicContact CD2-CB 3.91Å; L862-A894 HydrophobicContact CG-CB 3.91Å |
| 863 | H | 93.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.8 | -38.5 | 172.6 | -65.1 | 79.1 | 0 | 0 | 0 | 111.4 | R859 T860 P861 A866 F867 A886 R892 | R859-H863 HydrophobicContact CB-CB 4.04Å; T860-H863 PolarHBondContact N-ND1 2.9Å; T860-H863 VanDerWaalsContact N-ND1 3.18Å; T860-H863 WeakPolarHBondContact O-CA 3.34Å; T860-H863 VanDerWaalsContact O-CB 3.32Å; T860-H863 WeakPolarHBondContact O-CB 3.35Å; T860-H863 PolarHBondContact O-N 3.39Å; T860-H863 PolarHBondContact OG1-ND1 2.64Å; P861-H863 VanDerWaalsContact C-N 3.32Å; P861-H863 PolarHBondContact O-N 3.39Å; H863-A866 PolarHBondContact O-N 2.88Å; H863-F867 VanDerWaalsContact O-CB 3.32Å; H863-F867 WeakPolarHBondContact O-CB 3.4Å; H863-F867 PolarHBondContact O-N 3.39Å; H863-A886 PolarHBondContact CE1-O 2.88Å; H863-A886 PolarHBondContact NE2-O 2.93Å; H863-R892 PolarHBondContact NE2-O 2.98Å |
| 864 | A | 93.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V831 I832 T860 P861 F867 A868 | V831-A864 HydrophobicContact CG1-CB 4.47Å; I832-A864 HydrophobicContact CB-CB 4.39Å; T860-A864 PolarHBondContact O-N 3.35Å; P861-A864 WeakPolarHBondContact O-CB 3.17Å; P861-A864 PolarHBondContact O-N 2.98Å; P861-A864 VanDerWaalsContact O-N 3.15Å; A864-F867 WeakPolarHBondContact O-CB 3.37Å; A864-F867 PolarHBondContact O-N 3.41Å; A864-A868 PolarHBondContact O-N 2.93Å; A864-A868 VanDerWaalsContact O-N 3.09Å |
| 865 | A | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V831 P861 L862 F867 A868 D869 N870 L874 L877 | V831-A865 HydrophobicContact CG1-CB 3.27Å; V831-A865 VanDerWaalsContact CG1-N 3.35Å; P861-A865 PolarHBondContact O-N 2.81Å; L862-A865 PolarHBondContact O-N 3Å; A865-F867 VanDerWaalsContact C-N 3.28Å; A865-F867 PolarHBondContact O-N 3.42Å; A865-A868 PolarHBondContact O-N 3.29Å; A865-D869 PolarHBondContact O-N 3.48Å; A865-N870 HydrophobicContact CB-CB 4.32Å; A865-N870 PolarHBondContact O-N 3.24Å; A865-L874 HydrophobicContact CB-CD2 3.61Å; A865-L874 HydrophobicContact CB-CG 3.71Å; A865-L877 HydrophobicContact CB-CD1 4.01Å |
| 866 | A | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -33.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L862 H863 L874 A894 A898 Q903 L910 | L862-A866 WeakPolarHBondContact O-CB 3.35Å; L862-A866 PolarHBondContact O-N 2.98Å; H863-A866 PolarHBondContact O-N 2.88Å; A866-L874 HydrophobicContact CB-CD2 4.45Å; A866-A894 HydrophobicContact CB-CB 3.96Å; A866-A894 WeakPolarHBondContact CB-O 3.4Å; A866-A898 HydrophobicContact CB-CB 4.12Å; A866-Q903 WeakPolarHBondContact O-CG 3.41Å; A866-L910 HydrophobicContact CB-CD1 4.27Å |
| 867 | F | 94.1 | Very high | 91.9 | Very high | 92 Ų | 92 | 28.6 Ų | 28.6 | 40% | 0.404 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -68.1 | -38.2 | 174.6 | 178.8 | -93.6 | 0 | 0 | 0 | 112.3 | I832 H863 A864 A865 T897 N901 Q903 | I832-F867 HydrophobicContact CD1-CD1 4.08Å; I832-F867 HydrophobicContact CD1-CE1 4.41Å; I832-F867 HydrophobicContact CG1-CD1 4.2Å; H863-F867 VanDerWaalsContact O-CB 3.32Å; H863-F867 WeakPolarHBondContact O-CB 3.4Å; H863-F867 PolarHBondContact O-N 3.39Å; A864-F867 WeakPolarHBondContact O-CB 3.37Å; A864-F867 PolarHBondContact O-N 3.41Å; A865-F867 VanDerWaalsContact C-N 3.28Å; A865-F867 PolarHBondContact O-N 3.42Å; F867-T897 HydrophobicContact CB-CG2 3.99Å; F867-T897 HydrophobicContact CD2-CG2 4.3Å; F867-N901 WeakPolarHBondContact CD2-ND2 3.13Å; F867-Q903 PolarHBondContact O-NE2 3.43Å |
| 868 | A | 92.1 | Very high | 92 | Very high | 19 Ų | 19 | 24.3 Ų | 24.3 | 16% | 0.157 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -89.2 | -0.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | I832 A864 A865 N870 | I832-A868 HydrophobicContact CG1-CB 4.29Å; I832-A868 VanDerWaalsContact O-CB 3.23Å; I832-A868 WeakPolarHBondContact O-CB 3.17Å; A864-A868 PolarHBondContact O-N 2.93Å; A864-A868 VanDerWaalsContact O-N 3.09Å; A865-A868 PolarHBondContact O-N 3.29Å; A868-N870 VanDerWaalsContact C-N 3.26Å; A868-N870 PolarHBondContact O-N 3Å |
| 869 | D | 93.1 | Very high | 92 | Very high | 46 Ų | 46 | 30.7 Ų | 30.7 | 25% | 0.246 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 29.2 | -169.7 | -147.7 | 23.8 | 0 | 0 | 0 | 113.9 | A865 V871 Q903 A905 A906 | A865-D869 PolarHBondContact O-N 3.48Å; D869-V871 PolarHBondContact O-N 3.09Å; D869-Q903 HydrophobicContact CB-CB 3.94Å; D869-Q903 HydrophobicContact CB-CG 4.1Å; D869-Q903 WeakPolarHBondContact OD1-CB 3.43Å; D869-A905 PolarHBondContact OD1-N 3.04Å; D869-A906 VanDerWaalsContact OD1-CB 3.28Å; D869-A906 WeakPolarHBondContact OD1-CB 3.38Å; D869-A906 PolarHBondContact OD1-N 2.98Å |
| 870 | N | 92.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | trans | -80.1 | 86.6 | -176.2 | -166.1 | -12.4 | 0 | 0 | 0 | 112.3 | V831 N834 D836 A865 A868 S872 G873 L874 | V831-N870 PolarHBondContact O-ND2 3.42Å; V831-N870 VanDerWaalsContact O-ND2 3.08Å; N834-N870 WeakPolarHBondContact OD1-CB 3.39Å; N834-N870 VanDerWaalsContact OD1-CG 3.24Å; N834-N870 PolarHBondContact OD1-ND2 3.18Å; D836-N870 PolarHBondContact OD1-OD1 3.49Å; A865-N870 HydrophobicContact CB-CB 4.32Å; A865-N870 PolarHBondContact O-N 3.24Å; A868-N870 VanDerWaalsContact C-N 3.26Å; A868-N870 PolarHBondContact O-N 3Å; N870-S872 PolarHBondContact O-N 2.98Å; N870-S872 PolarHBondContact OD1-N 2.88Å; N870-S872 PolarHBondContact OD1-OG 3.08Å; N870-G873 PolarHBondContact O-N 2.87Å; N870-G873 PolarHBondContact OD1-N 2.85Å; N870-L874 WeakPolarHBondContact O-CB 3.42Å; N870-L874 WeakPolarHBondContact O-CG 3.46Å; N870-L874 PolarHBondContact O-N 3.5Å | ||
| 871 | V | 93.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 24% | 0.242 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -36.7 | -178.7 | 179.6 | 0 | 0 | 0 | 0 | 113.1 | D869 R875 A905 F909 | D869-V871 PolarHBondContact O-N 3.09Å; V871-R875 WeakPolarHBondContact O-CB 3.35Å; V871-R875 PolarHBondContact O-N 2.98Å; V871-A905 HydrophobicContact CG2-CB 3.59Å; V871-F909 HydrophobicContact CG1-CB 4.09Å; V871-F909 HydrophobicContact CG1-CD2 3.6Å; V871-F909 HydrophobicContact CG1-CE2 4.21Å; V871-F909 HydrophobicContact CG1-CG 3.87Å |
| 872 | S | 91.9 | Very high | 91.3 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.8 | -49 | 176.1 | 28.4 | 0 | 0 | 0 | 0 | 110.8 | D836 N870 L874 R875 M876 | D836-S872 VanDerWaalsContact CG-CB 3.47Å; D836-S872 WeakPolarHBondContact OD1-CB 3.42Å; D836-S872 PolarHBondContact OD1-OG 3.42Å; D836-S872 WeakPolarHBondContact OD2-CB 3.49Å; D836-S872 PolarHBondContact OD2-OG 3.32Å; N870-S872 PolarHBondContact O-N 2.98Å; N870-S872 PolarHBondContact OD1-N 2.88Å; N870-S872 PolarHBondContact OD1-OG 3.08Å; S872-L874 PolarHBondContact O-N 2.75Å; S872-R875 WeakPolarHBondContact O-CB 3.35Å; S872-R875 PolarHBondContact O-N 2.83Å; S872-R875 VanDerWaalsContact O-N 3.11Å; S872-M876 WeakPolarHBondContact O-CG 3.16Å; S872-M876 PolarHBondContact O-N 3.11Å |
| 873 | G | 90.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.4 | -45.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | N870 R875 M876 L877 | N870-G873 PolarHBondContact O-N 2.87Å; N870-G873 PolarHBondContact OD1-N 2.85Å; G873-R875 VanDerWaalsContact C-N 3.32Å; G873-R875 PolarHBondContact O-N 2.95Å; G873-M876 PolarHBondContact O-N 3.49Å; G873-L877 WeakPolarHBondContact O-CB 3.08Å; G873-L877 WeakPolarHBondContact O-CG 3.3Å; G873-L877 PolarHBondContact O-N 3.41Å |
| 874 | L | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 173.7 | -76.3 | 170.9 | 0 | 0 | 0 | 111.7 | L862 A865 A866 N870 S872 L878 A906 F909 L910 | L862-L874 HydrophobicContact CD1-CD2 3.58Å; L862-L874 HydrophobicContact CG-CD2 4.06Å; A865-L874 HydrophobicContact CB-CD2 3.61Å; A865-L874 HydrophobicContact CB-CG 3.71Å; A866-L874 HydrophobicContact CB-CD2 4.45Å; N870-L874 WeakPolarHBondContact O-CB 3.42Å; N870-L874 WeakPolarHBondContact O-CG 3.46Å; N870-L874 PolarHBondContact O-N 3.5Å; S872-L874 PolarHBondContact O-N 2.75Å; L874-L878 WeakPolarHBondContact O-CB 3.5Å; L874-L878 VanDerWaalsContact O-CG 3.23Å; L874-L878 WeakPolarHBondContact O-CG 3.38Å; L874-L878 PolarHBondContact O-N 2.94Å; L874-L878 VanDerWaalsContact O-N 3.09Å; L874-A906 HydrophobicContact CD1-CB 3.6Å; L874-F909 HydrophobicContact CB-CD1 3.76Å; L874-F909 HydrophobicContact CB-CE1 3.83Å; L874-F909 HydrophobicContact CD1-CD1 4.28Å; L874-L910 HydrophobicContact CD1-CG 4.29Å; L874-L910 HydrophobicContact CD2-CD1 4.44Å; L874-L910 HydrophobicContact CD2-CD2 4.07Å; L874-L910 HydrophobicContact CD2-CG 4.37Å |
| 875 | R | 92.4 | Very high | 90.8 | Very high | 116 Ų | 116 | 47.7 Ų | 47.7 | 44% | 0.438 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.7 | -47.8 | 178.3 | -176.5 | -172.8 | -56.7 | 166.5 | 4.8 | 111.9 | V871 S872 G873 L878 Q879 F909 | V871-R875 WeakPolarHBondContact O-CB 3.35Å; V871-R875 PolarHBondContact O-N 2.98Å; S872-R875 WeakPolarHBondContact O-CB 3.35Å; S872-R875 PolarHBondContact O-N 2.83Å; S872-R875 VanDerWaalsContact O-N 3.11Å; G873-R875 VanDerWaalsContact C-N 3.32Å; G873-R875 PolarHBondContact O-N 2.95Å; R875-L878 PolarHBondContact O-N 3.04Å; R875-Q879 WeakPolarHBondContact O-CG 3.39Å; R875-Q879 PolarHBondContact O-N 3.43Å; R875-F909 VanDerWaalsContact CA-CZ 3.5Å; R875-F909 HydrophobicContact CB-CE1 4.19Å; R875-F909 HydrophobicContact CB-CE2 4.13Å; R875-F909 HydrophobicContact CB-CZ 3.51Å; R875-F909 HydrophobicContact CG-CE2 4.45Å; R875-F909 HydrophobicContact CG-CZ 3.96Å |
| 876 | M | 90.2 | Very high | 90.6 | Very high | 24 Ų | 24 | 48 Ų | 48 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -43.3 | -177.2 | -68 | 164.3 | 55.9 | 0 | 0 | 111.6 | D836 T839 E840 L843 S872 G873 L878 Q879 H880 | D836-M876 WeakPolarHBondContact O-CE 3.47Å; T839-M876 HydrophobicContact CG2-CE 3.8Å; E840-M876 HydrophobicContact CB-CE 3.37Å; E840-M876 HydrophobicContact CG-CE 4Å; L843-M876 HydrophobicContact CD1-CB 3.89Å; L843-M876 HydrophobicContact CD1-CE 4.18Å; S872-M876 WeakPolarHBondContact O-CG 3.16Å; S872-M876 PolarHBondContact O-N 3.11Å; G873-M876 PolarHBondContact O-N 3.49Å; M876-L878 VanDerWaalsContact C-N 3.33Å; M876-L878 PolarHBondContact O-N 2.93Å; M876-Q879 PolarHBondContact O-N 3.3Å; M876-H880 PolarHBondContact O-CD2 2.93Å; M876-H880 PolarHBondContact O-N 2.85Å; M876-H880 VanDerWaalsContact O-N 3.07Å |
| 877 | L | 91.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 175.1 | -71.3 | 170 | 0 | 0 | 0 | 111.5 | L827 V831 L843 V851 P861 L862 A865 G873 H880 Q881 A882 | L827-L877 HydrophobicContact CD2-CD2 4.05Å; V831-L877 HydrophobicContact CG1-CD1 4.21Å; V831-L877 HydrophobicContact CG2-CD1 4.25Å; L843-L877 HydrophobicContact CD1-CD2 4.46Å; L843-L877 HydrophobicContact CD2-CD2 4.16Å; V851-L877 HydrophobicContact CG1-CD2 4.36Å; P861-L877 HydrophobicContact CB-CD1 4.13Å; P861-L877 HydrophobicContact CB-CD2 3.99Å; L862-L877 HydrophobicContact CB-CD1 4.47Å; L862-L877 HydrophobicContact CD1-CB 3.92Å; L862-L877 HydrophobicContact CD1-CD1 4.11Å; A865-L877 HydrophobicContact CB-CD1 4.01Å; G873-L877 WeakPolarHBondContact O-CB 3.08Å; G873-L877 WeakPolarHBondContact O-CG 3.3Å; G873-L877 PolarHBondContact O-N 3.41Å; L877-H880 CarbonylContact O-C 3.6Å; L877-H880 PolarHBondContact O-N 3.01Å; L877-Q881 PolarHBondContact O-N 3.4Å; L877-A882 HydrophobicContact CB-CB 3.96Å; L877-A882 WeakPolarHBondContact O-CB 3.44Å; L877-A882 PolarHBondContact O-N 2.89Å |
| 878 | L | 89.1 | Confident | 90.3 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 20% | 0.199 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.1 | -36.5 | 177.5 | -69.2 | -177.2 | 0 | 0 | 0 | 113.2 | L862 L874 R875 M876 H880 Q881 A882 V884 F909 | L862-L878 HydrophobicContact CD1-CD2 4.17Å; L862-L878 HydrophobicContact CD1-CG 4.29Å; L862-L878 HydrophobicContact CD2-CD2 4.37Å; L874-L878 WeakPolarHBondContact O-CB 3.5Å; L874-L878 VanDerWaalsContact O-CG 3.23Å; L874-L878 WeakPolarHBondContact O-CG 3.38Å; L874-L878 PolarHBondContact O-N 2.94Å; L874-L878 VanDerWaalsContact O-N 3.09Å; R875-L878 PolarHBondContact O-N 3.04Å; M876-L878 VanDerWaalsContact C-N 3.33Å; M876-L878 PolarHBondContact O-N 2.93Å; L878-H880 PolarHBondContact O-N 3.42Å; L878-Q881 PolarHBondContact O-N 3.24Å; L878-A882 HydrophobicContact CD2-CB 4.43Å; L878-V884 HydrophobicContact CD2-CB 4.3Å; L878-V884 HydrophobicContact CD2-CG1 4.45Å; L878-V884 HydrophobicContact CD2-CG2 3.38Å; L878-F909 HydrophobicContact CD1-CE1 3.87Å |
| 879 | Q | 88.2 | Confident | 90.2 | Very high | 134 Ų | 134 | 51.6 Ų | 51.6 | 63% | 0.626 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60.6 | -35.9 | 173.2 | -77.8 | 173.7 | -21.3 | 0 | 0 | 111.9 | R875 M876 Q881 | R875-Q879 WeakPolarHBondContact O-CG 3.39Å; R875-Q879 PolarHBondContact O-N 3.43Å; M876-Q879 PolarHBondContact O-N 3.3Å; Q879-Q881 VanDerWaalsContact C-N 3.27Å; Q879-Q881 PolarHBondContact O-N 3.01Å |
| 880 | H | 86.9 | Confident | 90 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 36% | 0.356 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 26.3 | 176.9 | -74.3 | -93.7 | 0 | 0 | 0 | 114 | L843 V851 M876 L877 L878 | L843-H880 HydrophobicContact CD2-CB 4.4Å; V851-H880 HydrophobicContact CG2-CB 4.07Å; M876-H880 PolarHBondContact O-CD2 2.93Å; M876-H880 PolarHBondContact O-N 2.85Å; M876-H880 VanDerWaalsContact O-N 3.07Å; L877-H880 CarbonylContact O-C 3.6Å; L877-H880 PolarHBondContact O-N 3.01Å; L878-H880 PolarHBondContact O-N 3.42Å |
| 881 | Q | 86.1 | Confident | 89.8 | Confident | 161 Ų | 161 | 52.5 Ų | 52.5 | 75% | 0.752 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 35.8 | 174.1 | -53.4 | 179.5 | 2 | 0 | 0 | 115.2 | L877 L878 Q879 | L877-Q881 PolarHBondContact O-N 3.4Å; L878-Q881 PolarHBondContact O-N 3.24Å; Q879-Q881 VanDerWaalsContact C-N 3.27Å; Q879-Q881 PolarHBondContact O-N 3.01Å |
| 882 | A | 87.3 | Confident | 89.8 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | trans | -61.6 | 137.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | V851 L862 L877 L878 V884 | V851-A882 VanDerWaalsContact CG1-CA 3.46Å; V851-A882 HydrophobicContact CG1-CB 3.44Å; V851-A882 VanDerWaalsContact CG1-CB 3.44Å; L862-A882 HydrophobicContact CD1-CB 4.3Å; L877-A882 HydrophobicContact CB-CB 3.96Å; L877-A882 WeakPolarHBondContact O-CB 3.44Å; L877-A882 PolarHBondContact O-N 2.89Å; L878-A882 HydrophobicContact CD2-CB 4.43Å; A882-V884 PolarHBondContact O-N 3.18Å; A882-V884 VanDerWaalsContact O-N 3.13Å | ||
| 883 | E | 88.8 | Confident | 89.9 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | trans | -71.7 | 104.3 | 176.2 | -70.6 | 177.1 | -171.6 | 0 | 0 | 110.9 | N852 N885 A886 | N852-E883 PolarHBondContact OD1-N 3.23Å; N852-E883 VanDerWaalsContact OD1-N 3.09Å; E883-N885 VanDerWaalsContact C-N 3.28Å; E883-N885 PolarHBondContact O-N 3.07Å; E883-A886 HydrophobicContact CB-CB 3.79Å; E883-A886 WeakPolarHBondContact O-CB 3.3Å; E883-A886 PolarHBondContact O-N 3.28Å | ||
| 884 | V | 88.9 | Confident | 90 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 19% | 0.194 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -38.4 | -175.7 | -164.8 | 0 | 0 | 0 | 0 | 112.7 | L878 A882 L910 A916 | L878-V884 HydrophobicContact CD2-CB 4.3Å; L878-V884 HydrophobicContact CD2-CG1 4.45Å; L878-V884 HydrophobicContact CD2-CG2 3.38Å; A882-V884 PolarHBondContact O-N 3.18Å; A882-V884 VanDerWaalsContact O-N 3.13Å; V884-L910 HydrophobicContact CG1-CD2 4.31Å; V884-A916 HydrophobicContact CG1-CB 3.88Å |
| 885 | N | 89.4 | Confident | 90.1 | Very high | 68 Ų | 68 | 52 Ų | 52 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 15.8 | -175.9 | -58.5 | -33.4 | 0 | 0 | 0 | 112.2 | E883 T887 D917 | E883-N885 VanDerWaalsContact C-N 3.28Å; E883-N885 PolarHBondContact O-N 3.07Å; N885-T887 PolarHBondContact O-N 3.44Å; N885-D917 WeakPolarHBondContact ND2-CB 3.42Å; N885-D917 PolarHBondContact OD1-N 3.04Å |
| 886 | A | 90 | Very high | 90.2 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | trans | -58.3 | 135.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T860 H863 E883 | T860-A886 HydrophobicContact CG2-CB 4.07Å; H863-A886 PolarHBondContact CE1-O 2.88Å; H863-A886 PolarHBondContact NE2-O 2.93Å; E883-A886 HydrophobicContact CB-CB 3.79Å; E883-A886 WeakPolarHBondContact O-CB 3.3Å; E883-A886 PolarHBondContact O-N 3.28Å | ||
| 887 | T | 90.9 | Very high | 90.3 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 30% | 0.301 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -105.5 | 143.1 | 177.4 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | R854 N885 R892 T893 V920 | R854-T887 PolarHBondContact NH1-O 3.03Å; N885-T887 PolarHBondContact O-N 3.44Å; T887-R892 VanDerWaalsContact CA-O 3.29Å; T887-R892 WeakPolarHBondContact CA-O 3.38Å; T887-T893 HydrophobicContact CG2-CG2 3.98Å; T887-V920 HydrophobicContact CG2-CG1 4.11Å |
| 888 | D | 91.4 | Very high | 90.5 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 10% | 0.096 | 23% | 0.234 | C | C | . | . | trans | -71.4 | -178.2 | 165.7 | 73.5 | 9.1 | 0 | 0 | 0 | 112 | R859 T890 G891 R892 | R859-D888 HydrophobicContact CG-CB 3.78Å; D888-T890 VanDerWaalsContact CG-OG1 3.29Å; D888-T890 PolarHBondContact O-N 3.19Å; D888-T890 VanDerWaalsContact O-N 3.15Å; D888-T890 VanDerWaalsContact OD1-CA 3.32Å; D888-T890 WeakPolarHBondContact OD1-CA 3.32Å; D888-T890 WeakPolarHBondContact OD1-CB 3.34Å; D888-T890 PolarHBondContact OD1-N 3.49Å; D888-T890 PolarHBondContact OD1-OG1 3.05Å; D888-T890 PolarHBondContact OD2-OG1 2.91Å; D888-G891 PolarHBondContact O-N 2.87Å; D888-G891 VanDerWaalsContact O-N 3.11Å; D888-G891 PolarHBondContact OD1-N 3.19Å; D888-R892 PolarHBondContact N-O 2.72Å; D888-R892 PolarHBondContact OD1-N 2.84Å | ||
| 889 | H | 90.7 | Very high | 90.7 | Very high | 120 Ų | 120 | 44.3 Ų | 44.3 | 56% | 0.556 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.8 | 178.8 | -66.6 | 164.9 | 0 | 0 | 0 | 113.7 | A856 K857 G858 | A856-H889 PolarHBondContact O-CE1 3.13Å; K857-H889 VanDerWaalsContact C-ND1 3.32Å; K857-H889 WeakPolarHBondContact O-CB 3.48Å; K857-H889 VanDerWaalsContact O-CG 3.24Å; K857-H889 PolarHBondContact O-N 2.98Å; K857-H889 VanDerWaalsContact O-N 3.13Å; K857-H889 PolarHBondContact O-ND1 3.11Å; G858-H889 WeakPolarHBondContact CA-NE2 3.19Å; G858-H889 PolarHBondContact N-CE1 3.49Å |
| 890 | T | 89 | Confident | 91 | Very high | 52 Ų | 52 | 39.4 Ų | 39.4 | 32% | 0.319 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 9.3 | 178.8 | 64.6 | 0 | 0 | 0 | 0 | 113.3 | D888 R892 E923 | D888-T890 VanDerWaalsContact CG-OG1 3.29Å; D888-T890 PolarHBondContact O-N 3.19Å; D888-T890 VanDerWaalsContact O-N 3.15Å; D888-T890 VanDerWaalsContact OD1-CA 3.32Å; D888-T890 WeakPolarHBondContact OD1-CA 3.32Å; D888-T890 WeakPolarHBondContact OD1-CB 3.34Å; D888-T890 PolarHBondContact OD1-N 3.49Å; D888-T890 PolarHBondContact OD1-OG1 3.05Å; D888-T890 PolarHBondContact OD2-OG1 2.91Å; T890-R892 VanDerWaalsContact C-N 3.27Å; T890-R892 PolarHBondContact O-N 3.14Å; T890-R892 VanDerWaalsContact OG1-CD 3.28Å; T890-R892 WeakPolarHBondContact OG1-CD 3.24Å; T890-R892 WeakPolarHBondContact OG1-CG 3.36Å; T890-E923 WeakPolarHBondContact O-CG 3.19Å; T890-E923 PolarHBondContact O-N 3.17Å |
| 891 | G | 88.8 | Confident | 91.2 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 76.2 | 9.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D888 | D888-G891 PolarHBondContact O-N 2.87Å; D888-G891 VanDerWaalsContact O-N 3.11Å; D888-G891 PolarHBondContact OD1-N 3.19Å |
| 892 | R | 91.6 | Very high | 91.5 | Very high | 61 Ų | 61 | 31.8 Ų | 31.8 | 23% | 0.23 | 17% | 0.172 | C | C | . | . | trans | -86.2 | 136.1 | -176.4 | -65.4 | 172.8 | 172.1 | -162.7 | -16.2 | 110.9 | H863 T887 D888 T890 M896 E900 D922 | H863-R892 PolarHBondContact NE2-O 2.98Å; T887-R892 VanDerWaalsContact CA-O 3.29Å; T887-R892 WeakPolarHBondContact CA-O 3.38Å; D888-R892 PolarHBondContact N-O 2.72Å; D888-R892 PolarHBondContact OD1-N 2.84Å; T890-R892 VanDerWaalsContact C-N 3.27Å; T890-R892 PolarHBondContact O-N 3.14Å; T890-R892 VanDerWaalsContact OG1-CD 3.28Å; T890-R892 WeakPolarHBondContact OG1-CD 3.24Å; T890-R892 WeakPolarHBondContact OG1-CG 3.36Å; R892-M896 HydrophobicContact CB-CB 4.28Å; R892-M896 HydrophobicContact CB-SD 4.33Å; R892-M896 HydrophobicContact CG-SD 4.44Å; R892-E900 IonicContact CZ-OE1 2.79Å; R892-E900 IonicContact CZ-OE2 3.59Å; R892-E900 VanDerWaalsContact CZ-OE2 3.29Å; R892-E900 IonicContact NH1-OE1 3.68Å; R892-E900 PolarHBondContact NH1-OE1 2.9Å; R892-E900 IonicContact NH1-OE2 3.13Å; R892-E900 PolarHBondContact NH1-OE2 3.33Å; R892-E900 IonicContact NH2-OE1 2.68Å; R892-E900 PolarHBondContact NH2-OE1 2.81Å; R892-E900 IonicContact NH2-OE2 3.33Å; R892-D922 HydrophobicContact CG-CB 4.02Å | ||
| 893 | T | 94.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -89.5 | 167.9 | 172.3 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | T887 L895 M896 T897 V920 | T887-T893 HydrophobicContact CG2-CG2 3.98Å; T893-L895 PolarHBondContact O-N 3.17Å; T893-M896 WeakPolarHBondContact O-CB 3.42Å; T893-M896 PolarHBondContact O-N 3.15Å; T893-M896 WeakPolarHBondContact OG1-CG 3.49Å; T893-M896 PolarHBondContact OG1-N 3.38Å; T893-T897 PolarHBondContact O-N 3.16Å; T893-T897 PolarHBondContact O-OG1 2.98Å; T893-V920 HydrophobicContact CG2-CB 3.92Å; T893-V920 HydrophobicContact CG2-CG1 3.57Å; T893-V920 HydrophobicContact CG2-CG2 4.18Å |
| 894 | A | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55 | -38.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L862 A866 M896 T897 A898 L910 | L862-A894 HydrophobicContact CB-CB 4.47Å; L862-A894 HydrophobicContact CD2-CB 3.91Å; L862-A894 HydrophobicContact CG-CB 3.91Å; A866-A894 HydrophobicContact CB-CB 3.96Å; A866-A894 WeakPolarHBondContact CB-O 3.4Å; A894-M896 PolarHBondContact O-N 3.41Å; A894-T897 PolarHBondContact O-N 3.23Å; A894-A898 PolarHBondContact O-N 3.36Å; A894-L910 HydrophobicContact CB-CD1 4.23Å |
| 895 | L | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.3 | -179.8 | 67.9 | 0 | 0 | 0 | 112.1 | T893 T897 A898 A899 V907 L910 L911 A916 L918 A928 | T893-L895 PolarHBondContact O-N 3.17Å; L895-T897 VanDerWaalsContact C-N 3.34Å; L895-A898 PolarHBondContact O-N 2.86Å; L895-A899 VanDerWaalsContact O-CB 3.27Å; L895-A899 WeakPolarHBondContact O-CB 3.23Å; L895-A899 PolarHBondContact O-N 3.47Å; L895-V907 HydrophobicContact CD1-CB 4.48Å; L895-V907 HydrophobicContact CD1-CG1 4.25Å; L895-V907 HydrophobicContact CD1-CG2 4.37Å; L895-L910 HydrophobicContact CB-CD1 4.31Å; L895-L910 HydrophobicContact CD1-CB 3.99Å; L895-L910 HydrophobicContact CD1-CD1 4.45Å; L895-L911 HydrophobicContact CD1-CD2 4.22Å; L895-L911 HydrophobicContact CD1-CG 4.17Å; L895-L911 HydrophobicContact CD2-CD2 3.98Å; L895-A916 HydrophobicContact CB-CB 4.12Å; L895-A916 HydrophobicContact CD2-CB 4.02Å; L895-L918 HydrophobicContact CD2-CD2 3.33Å; L895-A928 HydrophobicContact CD2-CB 4.11Å; L895-A928 HydrophobicContact CG-CB 4.09Å |
| 896 | M | 93.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.1 | -70.1 | -179.3 | -177.2 | 0 | 0 | 111.6 | R892 T893 A894 A899 E900 V920 D922 A928 L931 | R892-M896 HydrophobicContact CB-CB 4.28Å; R892-M896 HydrophobicContact CB-SD 4.33Å; R892-M896 HydrophobicContact CG-SD 4.44Å; T893-M896 WeakPolarHBondContact O-CB 3.42Å; T893-M896 PolarHBondContact O-N 3.15Å; T893-M896 WeakPolarHBondContact OG1-CG 3.49Å; T893-M896 PolarHBondContact OG1-N 3.38Å; A894-M896 PolarHBondContact O-N 3.41Å; M896-A899 PolarHBondContact O-N 2.99Å; M896-E900 WeakPolarHBondContact O-CB 3.49Å; M896-E900 PolarHBondContact O-N 3.28Å; M896-V920 HydrophobicContact CE-CB 4.15Å; M896-V920 HydrophobicContact CE-CG1 4.22Å; M896-V920 WeakPolarHBondContact CE-O 3.5Å; M896-D922 HydrophobicContact SD-CB 4.18Å; M896-A928 HydrophobicContact CG-CB 4.13Å; M896-L931 HydrophobicContact CB-CD1 3.67Å; M896-L931 HydrophobicContact CG-CD1 4Å; M896-L931 HydrophobicContact SD-CD1 4.35Å |
| 897 | T | 93.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 26.9 Ų | 26.9 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 175.5 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | F867 T893 A894 L895 N901 | F867-T897 HydrophobicContact CB-CG2 3.99Å; F867-T897 HydrophobicContact CD2-CG2 4.3Å; T893-T897 PolarHBondContact O-N 3.16Å; T893-T897 PolarHBondContact O-OG1 2.98Å; A894-T897 PolarHBondContact O-N 3.23Å; L895-T897 VanDerWaalsContact C-N 3.34Å; T897-N901 PolarHBondContact O-N 2.85Å; T897-N901 PolarHBondContact O-ND2 3.44Å |
| 898 | A | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A866 A894 L895 N901 G902 Q903 A906 V907 | A866-A898 HydrophobicContact CB-CB 4.12Å; A894-A898 PolarHBondContact O-N 3.36Å; L895-A898 PolarHBondContact O-N 2.86Å; A898-N901 PolarHBondContact O-N 3.13Å; A898-G902 PolarHBondContact O-N 3.13Å; A898-Q903 HydrophobicContact CB-CB 4.22Å; A898-Q903 PolarHBondContact O-N 2.87Å; A898-A906 HydrophobicContact CB-CB 3.97Å; A898-V907 HydrophobicContact CB-CG2 3.68Å |
| 899 | A | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L895 M896 V907 A928 A932 H937 I944 | L895-A899 VanDerWaalsContact O-CB 3.27Å; L895-A899 WeakPolarHBondContact O-CB 3.23Å; L895-A899 PolarHBondContact O-N 3.47Å; M896-A899 PolarHBondContact O-N 2.99Å; A899-V907 HydrophobicContact CB-CG2 4.39Å; A899-A928 HydrophobicContact CB-CB 4.18Å; A899-A932 HydrophobicContact CB-CB 4.23Å; A899-H937 PolarHBondContact O-CD2 3.44Å; A899-I944 HydrophobicContact CB-CD1 4.1Å |
| 900 | E | 93.3 | Very high | 92.9 | Very high | 32 Ų | 32 | 23.5 Ų | 23.5 | 15% | 0.15 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.7 | -34.8 | 177.3 | -171.8 | -178.2 | -151.7 | 0 | 0 | 112.7 | R892 M896 L931 K935 H937 | R892-E900 IonicContact CZ-OE1 2.79Å; R892-E900 IonicContact CZ-OE2 3.59Å; R892-E900 VanDerWaalsContact CZ-OE2 3.29Å; R892-E900 IonicContact NH1-OE1 3.68Å; R892-E900 PolarHBondContact NH1-OE1 2.9Å; R892-E900 IonicContact NH1-OE2 3.13Å; R892-E900 PolarHBondContact NH1-OE2 3.33Å; R892-E900 IonicContact NH2-OE1 2.68Å; R892-E900 PolarHBondContact NH2-OE1 2.81Å; R892-E900 IonicContact NH2-OE2 3.33Å; M896-E900 WeakPolarHBondContact O-CB 3.49Å; M896-E900 PolarHBondContact O-N 3.28Å; E900-L931 HydrophobicContact CB-CB 4.31Å; E900-K935 HydrophobicContact CG-CD 4.5Å; E900-K935 HydrophobicContact CG-CG 3.92Å; E900-K935 WeakPolarHBondContact O-CG 3.28Å; E900-H937 PolarHBondContact O-CD2 2.88Å; E900-H937 PolarHBondContact O-NE2 3.29Å; E900-H937 VanDerWaalsContact O-NE2 3.12Å |
| 901 | N | 92.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 21.8 Ų | 21.8 | 32% | 0.321 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -91.7 | -2.9 | -179.7 | -67.1 | -69.2 | 0 | 0 | 0 | 113.8 | F867 T897 A898 Q903 | F867-N901 WeakPolarHBondContact CD2-ND2 3.13Å; T897-N901 PolarHBondContact O-N 2.85Å; T897-N901 PolarHBondContact O-ND2 3.44Å; A898-N901 PolarHBondContact O-N 3.13Å; N901-Q903 HydrophobicContact CB-CG 4.04Å |
| 902 | G | 92.8 | Very high | 92.8 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 18% | 0.175 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 23.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A898 T904 H937 C940 | A898-G902 PolarHBondContact O-N 3.13Å; G902-T904 PolarHBondContact O-N 3.37Å; G902-H937 WeakPolarHBondContact CA-CD2 3.44Å; G902-H937 PolarHBondContact N-CD2 3.46Å; G902-H937 VanDerWaalsContact N-CD2 3.28Å; G902-H937 PolarHBondContact N-NE2 3.15Å; G902-C940 VanDerWaalsContact C-SG 3.58Å |
| 903 | Q | 94.9 | Very high | 92.5 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 23% | 0.234 | 16% | 0.155 | C | C | . | . | trans | -81 | 86.3 | -176.1 | -57.1 | -59.4 | 20.8 | 0 | 0 | 111 | A866 F867 D869 A898 N901 A905 A906 V907 | A866-Q903 WeakPolarHBondContact O-CG 3.41Å; F867-Q903 PolarHBondContact O-NE2 3.43Å; D869-Q903 HydrophobicContact CB-CB 3.94Å; D869-Q903 HydrophobicContact CB-CG 4.1Å; D869-Q903 WeakPolarHBondContact OD1-CB 3.43Å; A898-Q903 HydrophobicContact CB-CB 4.22Å; A898-Q903 PolarHBondContact O-N 2.87Å; N901-Q903 HydrophobicContact CB-CG 4.04Å; Q903-A905 PolarHBondContact O-N 3.18Å; Q903-A906 HydrophobicContact CB-CB 4.05Å; Q903-A906 PolarHBondContact O-N 2.94Å; Q903-V907 VanDerWaalsContact O-CG2 3.3Å; Q903-V907 WeakPolarHBondContact O-CG2 3.48Å; Q903-V907 PolarHBondContact O-N 3.47Å | ||
| 904 | T | 93.8 | Very high | 91.7 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 22% | 0.221 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | -169.3 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | G902 E908 K939 C940 | G902-T904 PolarHBondContact O-N 3.37Å; T904-E908 WeakPolarHBondContact O-CB 3.39Å; T904-E908 PolarHBondContact O-N 3.46Å; T904-K939 HydrophobicContact CG2-CB 3.94Å; T904-K939 HydrophobicContact CG2-CD 3.93Å; T904-K939 HydrophobicContact CG2-CG 3.93Å; T904-C940 VanDerWaalsContact CG2-SG 3.51Å |
| 905 | A | 92.4 | Very high | 91.4 | Very high | 33 Ų | 33 | 41 Ų | 41 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -75.9 | -38.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D869 V871 Q903 E908 F909 | D869-A905 PolarHBondContact OD1-N 3.04Å; V871-A905 HydrophobicContact CG2-CB 3.59Å; Q903-A905 PolarHBondContact O-N 3.18Å; A905-E908 PolarHBondContact O-N 2.92Å; A905-F909 VanDerWaalsContact O-CB 3.29Å; A905-F909 WeakPolarHBondContact O-CB 3.39Å; A905-F909 PolarHBondContact O-N 3.42Å |
| 906 | A | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | D869 L874 A898 Q903 F909 L910 | D869-A906 VanDerWaalsContact OD1-CB 3.28Å; D869-A906 WeakPolarHBondContact OD1-CB 3.38Å; D869-A906 PolarHBondContact OD1-N 2.98Å; L874-A906 HydrophobicContact CD1-CB 3.6Å; A898-A906 HydrophobicContact CB-CB 3.97Å; Q903-A906 HydrophobicContact CB-CB 4.05Å; Q903-A906 PolarHBondContact O-N 2.94Å; A906-F909 PolarHBondContact O-N 2.94Å; A906-L910 VanDerWaalsContact O-CB 3.3Å; A906-L910 WeakPolarHBondContact O-CB 3.48Å; A906-L910 VanDerWaalsContact O-CG 3.29Å; A906-L910 WeakPolarHBondContact O-CG 3.45Å; A906-L910 PolarHBondContact O-N 3.09Å |
| 907 | V | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.1 | -51 | 174.6 | 168.8 | 0 | 0 | 0 | 0 | 110.4 | L895 A898 A899 Q903 F909 L910 L911 C940 M943 I944 | L895-V907 HydrophobicContact CD1-CB 4.48Å; L895-V907 HydrophobicContact CD1-CG1 4.25Å; L895-V907 HydrophobicContact CD1-CG2 4.37Å; A898-V907 HydrophobicContact CB-CG2 3.68Å; A899-V907 HydrophobicContact CB-CG2 4.39Å; Q903-V907 VanDerWaalsContact O-CG2 3.3Å; Q903-V907 WeakPolarHBondContact O-CG2 3.48Å; Q903-V907 PolarHBondContact O-N 3.47Å; V907-F909 VanDerWaalsContact C-N 3.33Å; V907-F909 PolarHBondContact O-N 3.11Å; V907-L910 PolarHBondContact O-N 3.3Å; V907-L911 HydrophobicContact CG1-CD1 3.65Å; V907-L911 HydrophobicContact CG1-CG 4.29Å; V907-L911 WeakPolarHBondContact O-CB 3.19Å; V907-L911 WeakPolarHBondContact O-CG 3.4Å; V907-L911 PolarHBondContact O-N 2.85Å; V907-C940 HydrophobicContact CG2-CB 4.36Å; V907-M943 HydrophobicContact CG1-CB 4.33Å; V907-I944 HydrophobicContact CG1-CD1 4.38Å; V907-I944 HydrophobicContact CG1-CG1 3.97Å |
| 908 | E | 93.1 | Very high | 90.5 | Very high | 96 Ų | 96 | 45.3 Ų | 45.3 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.1 | -48.1 | 177 | -174.3 | 178.1 | 175.9 | 0 | 0 | 111.2 | T904 A905 L911 Y912 M943 | T904-E908 WeakPolarHBondContact O-CB 3.39Å; T904-E908 PolarHBondContact O-N 3.46Å; A905-E908 PolarHBondContact O-N 2.92Å; E908-L911 PolarHBondContact O-N 3.12Å; E908-Y912 HydrophobicContact CG-CD2 3.62Å; E908-Y912 HydrophobicContact CG-CE2 3.86Å; E908-Y912 WeakPolarHBondContact O-CD2 3.47Å; E908-Y912 PolarHBondContact O-N 3.28Å; E908-M943 HydrophobicContact CB-CE 4.49Å; E908-M943 HydrophobicContact CB-SD 4.26Å |
| 909 | F | 92.8 | Very high | 90.1 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | -178.9 | -173.4 | -95.2 | 0 | 0 | 0 | 113 | V871 L874 R875 L878 A905 A906 V907 L911 R913 G914 | V871-F909 HydrophobicContact CG1-CB 4.09Å; V871-F909 HydrophobicContact CG1-CD2 3.6Å; V871-F909 HydrophobicContact CG1-CE2 4.21Å; V871-F909 HydrophobicContact CG1-CG 3.87Å; L874-F909 HydrophobicContact CB-CD1 3.76Å; L874-F909 HydrophobicContact CB-CE1 3.83Å; L874-F909 HydrophobicContact CD1-CD1 4.28Å; R875-F909 VanDerWaalsContact CA-CZ 3.5Å; R875-F909 HydrophobicContact CB-CE1 4.19Å; R875-F909 HydrophobicContact CB-CE2 4.13Å; R875-F909 HydrophobicContact CB-CZ 3.51Å; R875-F909 HydrophobicContact CG-CE2 4.45Å; R875-F909 HydrophobicContact CG-CZ 3.96Å; L878-F909 HydrophobicContact CD1-CE1 3.87Å; A905-F909 VanDerWaalsContact O-CB 3.29Å; A905-F909 WeakPolarHBondContact O-CB 3.39Å; A905-F909 PolarHBondContact O-N 3.42Å; A906-F909 PolarHBondContact O-N 2.94Å; V907-F909 VanDerWaalsContact C-N 3.33Å; V907-F909 PolarHBondContact O-N 3.11Å; F909-L911 VanDerWaalsContact C-N 3.33Å; F909-L911 PolarHBondContact O-N 3.27Å; F909-R913 HydrophobicContact CD2-CB 4.1Å; F909-R913 HydrophobicContact CD2-CG 4.16Å; F909-R913 HydrophobicContact CE1-CB 4.44Å; F909-R913 HydrophobicContact CE2-CB 3.85Å; F909-R913 HydrophobicContact CE2-CG 4.01Å; F909-R913 HydrophobicContact CG-CB 4.49Å; F909-R913 HydrophobicContact CZ-CB 4.01Å; F909-R913 WeakPolarHBondContact O-CA 3.32Å; F909-R913 WeakPolarHBondContact O-CB 3.38Å; F909-R913 PolarHBondContact O-N 3Å; F909-G914 PolarHBondContact O-N 3.49Å |
| 910 | L | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -34.8 | 179.5 | -75 | 170.8 | 0 | 0 | 0 | 112.3 | A866 L874 V884 A894 L895 A906 V907 G914 K915 A916 | A866-L910 HydrophobicContact CB-CD1 4.27Å; L874-L910 HydrophobicContact CD1-CG 4.29Å; L874-L910 HydrophobicContact CD2-CD1 4.44Å; L874-L910 HydrophobicContact CD2-CD2 4.07Å; L874-L910 HydrophobicContact CD2-CG 4.37Å; V884-L910 HydrophobicContact CG1-CD2 4.31Å; A894-L910 HydrophobicContact CB-CD1 4.23Å; L895-L910 HydrophobicContact CB-CD1 4.31Å; L895-L910 HydrophobicContact CD1-CB 3.99Å; L895-L910 HydrophobicContact CD1-CD1 4.45Å; A906-L910 VanDerWaalsContact O-CB 3.3Å; A906-L910 WeakPolarHBondContact O-CB 3.48Å; A906-L910 VanDerWaalsContact O-CG 3.29Å; A906-L910 WeakPolarHBondContact O-CG 3.45Å; A906-L910 PolarHBondContact O-N 3.09Å; V907-L910 PolarHBondContact O-N 3.3Å; L910-G914 CarbonylContact O-C 3.41Å; L910-G914 VanDerWaalsContact O-C 3.3Å; L910-G914 VanDerWaalsContact O-CA 3.31Å; L910-G914 WeakPolarHBondContact O-CA 3.49Å; L910-G914 PolarHBondContact O-N 3.05Å; L910-K915 PolarHBondContact O-N 2.91Å; L910-A916 HydrophobicContact CB-CB 4.29Å; L910-A916 WeakPolarHBondContact O-CB 3.49Å; L910-A916 PolarHBondContact O-N 3.37Å |
| 911 | L | 88.9 | Confident | 89.7 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.3 | -57.4 | 175.3 | -69.7 | 172.9 | 0 | 0 | 0 | 111.7 | L895 V907 E908 F909 L918 M943 I944 E947 | L895-L911 HydrophobicContact CD1-CD2 4.22Å; L895-L911 HydrophobicContact CD1-CG 4.17Å; L895-L911 HydrophobicContact CD2-CD2 3.98Å; V907-L911 HydrophobicContact CG1-CD1 3.65Å; V907-L911 HydrophobicContact CG1-CG 4.29Å; V907-L911 WeakPolarHBondContact O-CB 3.19Å; V907-L911 WeakPolarHBondContact O-CG 3.4Å; V907-L911 PolarHBondContact O-N 2.85Å; E908-L911 PolarHBondContact O-N 3.12Å; F909-L911 VanDerWaalsContact C-N 3.33Å; F909-L911 PolarHBondContact O-N 3.27Å; L911-L918 HydrophobicContact CD2-CD1 4.17Å; L911-L918 HydrophobicContact CD2-CD2 3.65Å; L911-L918 HydrophobicContact CD2-CG 4.32Å; L911-M943 HydrophobicContact CD1-CB 4.36Å; L911-I944 HydrophobicContact CD1-CG1 4.02Å; L911-E947 HydrophobicContact CB-CG 4.42Å |
| 912 | Y | 86.4 | Confident | 89.6 | Confident | 110 Ų | 110 | 50.6 Ų | 50.6 | 43% | 0.431 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -80.6 | -39.5 | -170.2 | -71.8 | -69 | 0 | 0 | 0 | 113.9 | E908 E947 | E908-Y912 HydrophobicContact CG-CD2 3.62Å; E908-Y912 HydrophobicContact CG-CE2 3.86Å; E908-Y912 WeakPolarHBondContact O-CD2 3.47Å; E908-Y912 PolarHBondContact O-N 3.28Å; Y912-E947 HydrophobicContact CE1-CG 3.89Å; Y912-E947 WeakPolarHBondContact CE1-OE1 3.31Å; Y912-E947 VanDerWaalsContact CZ-CD 3.49Å; Y912-E947 PolarHBondContact OH-OE1 2.97Å |
| 913 | R | 85 | Confident | 89.6 | Confident | 189 Ų | 189 | 56.4 Ų | 56.4 | 71% | 0.713 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -39.5 | -175.4 | -63.5 | -132.9 | -177.4 | -173.3 | 1.1 | 112.7 | F909 K915 | F909-R913 HydrophobicContact CD2-CB 4.1Å; F909-R913 HydrophobicContact CD2-CG 4.16Å; F909-R913 HydrophobicContact CE1-CB 4.44Å; F909-R913 HydrophobicContact CE2-CB 3.85Å; F909-R913 HydrophobicContact CE2-CG 4.01Å; F909-R913 HydrophobicContact CG-CB 4.49Å; F909-R913 HydrophobicContact CZ-CB 4.01Å; F909-R913 WeakPolarHBondContact O-CA 3.32Å; F909-R913 WeakPolarHBondContact O-CB 3.38Å; F909-R913 PolarHBondContact O-N 3Å; R913-K915 VanDerWaalsContact C-N 3.33Å |
| 914 | G | 79.4 | Confident | 89.3 | Confident | 11 Ų | 11 | 58 Ų | 58 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F909 L910 A916 | F909-G914 PolarHBondContact O-N 3.49Å; L910-G914 CarbonylContact O-C 3.41Å; L910-G914 VanDerWaalsContact O-C 3.3Å; L910-G914 VanDerWaalsContact O-CA 3.31Å; L910-G914 WeakPolarHBondContact O-CA 3.49Å; L910-G914 PolarHBondContact O-N 3.05Å; G914-A916 PolarHBondContact O-N 3Å |
| 915 | K | 85.1 | Confident | 89 | Confident | 175 Ų | 175 | 62.3 Ų | 62.3 | 76% | 0.761 | 30% | 0.301 | S | S | * | . | trans | 47.4 | 43.9 | -172.9 | -61.1 | -175.6 | 178.8 | -178.4 | 0 | 111.7 | L910 R913 | L910-K915 PolarHBondContact O-N 2.91Å; R913-K915 VanDerWaalsContact C-N 3.33Å | ||
| 916 | A | 88.3 | Confident | 89 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | trans | -59.2 | 139 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V884 L895 L910 G914 L918 | V884-A916 HydrophobicContact CG1-CB 3.88Å; L895-A916 HydrophobicContact CB-CB 4.12Å; L895-A916 HydrophobicContact CD2-CB 4.02Å; L910-A916 HydrophobicContact CB-CB 4.29Å; L910-A916 WeakPolarHBondContact O-CB 3.49Å; L910-A916 PolarHBondContact O-N 3.37Å; G914-A916 PolarHBondContact O-N 3Å; A916-L918 PolarHBondContact O-N 3.21Å | ||
| 917 | D | 87.6 | Confident | 88.9 | Confident | 64 Ų | 64 | 62 Ų | 62 | 34% | 0.342 | 29% | 0.294 | S | S | . | . | trans | -76.9 | 124.4 | -178.8 | -173.1 | -5.2 | 0 | 0 | 0 | 110.5 | N885 T919 V920 | N885-D917 WeakPolarHBondContact ND2-CB 3.42Å; N885-D917 PolarHBondContact OD1-N 3.04Å; D917-T919 VanDerWaalsContact C-N 3.35Å; D917-T919 WeakPolarHBondContact OD1-CB 3.28Å; D917-T919 WeakPolarHBondContact OD1-CG2 3.4Å; D917-T919 PolarHBondContact OD1-N 2.89Å; D917-T919 PolarHBondContact OD1-OG1 3.19Å; D917-T919 PolarHBondContact OD2-OG1 2.87Å; D917-T919 VanDerWaalsContact OD2-OG1 3.1Å; D917-V920 HydrophobicContact CB-CG2 4Å | ||
| 918 | L | 86.4 | Confident | 88.8 | Confident | 33 Ų | 33 | 62.1 Ų | 62.1 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -86.8 | -9.2 | -177.9 | -63.2 | 172.6 | 0 | 0 | 0 | 113.2 | L895 L911 A916 I944 T948 L953 | L895-L918 HydrophobicContact CD2-CD2 3.33Å; L911-L918 HydrophobicContact CD2-CD1 4.17Å; L911-L918 HydrophobicContact CD2-CD2 3.65Å; L911-L918 HydrophobicContact CD2-CG 4.32Å; A916-L918 PolarHBondContact O-N 3.21Å; L918-I944 HydrophobicContact CD2-CG2 4.28Å; L918-T948 HydrophobicContact CD1-CG2 3.42Å; L918-T948 VanDerWaalsContact CD1-CG2 3.42Å; L918-L953 HydrophobicContact CB-CD1 3.95Å |
| 919 | T | 86.4 | Confident | 88.7 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -86.2 | -13 | -179.2 | 70 | 0 | 0 | 0 | 0 | 113.2 | D917 L953 | D917-T919 VanDerWaalsContact C-N 3.35Å; D917-T919 WeakPolarHBondContact OD1-CB 3.28Å; D917-T919 WeakPolarHBondContact OD1-CG2 3.4Å; D917-T919 PolarHBondContact OD1-N 2.89Å; D917-T919 PolarHBondContact OD1-OG1 3.19Å; D917-T919 PolarHBondContact OD2-OG1 2.87Å; D917-T919 VanDerWaalsContact OD2-OG1 3.1Å; T919-L953 HydrophobicContact CG2-CD2 4.37Å |
| 920 | V | 89.5 | Confident | 88.6 | Confident | 30 Ų | 30 | 57 Ų | 57 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | trans | -63.4 | 141.1 | 177 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | T887 T893 M896 D917 | T887-V920 HydrophobicContact CG2-CG1 4.11Å; T893-V920 HydrophobicContact CG2-CB 3.92Å; T893-V920 HydrophobicContact CG2-CG1 3.57Å; T893-V920 HydrophobicContact CG2-CG2 4.18Å; M896-V920 HydrophobicContact CE-CB 4.15Å; M896-V920 HydrophobicContact CE-CG1 4.22Å; M896-V920 WeakPolarHBondContact CE-O 3.5Å; D917-V920 HydrophobicContact CB-CG2 4Å | ||
| 921 | L | 90.3 | Very high | 88.7 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | trans | -122.5 | 139.5 | -177.3 | -61.2 | -179.5 | 0 | 0 | 0 | 110.1 | K925 T927 | L921-K925 HydrophobicContact CD1-CB 4.38Å; L921-T927 HydrophobicContact CD2-CG2 3.57Å | ||
| 922 | D | 90.9 | Very high | 88.9 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | trans | -73.6 | 177.7 | 170.2 | 78 | -2 | 0 | 0 | 0 | 111.8 | R892 M896 N924 K925 N926 | R892-D922 HydrophobicContact CG-CB 4.02Å; M896-D922 HydrophobicContact SD-CB 4.18Å; D922-N924 PolarHBondContact O-N 3.07Å; D922-N924 VanDerWaalsContact OD1-C 3.3Å; D922-N924 WeakPolarHBondContact OD1-CA 3.42Å; D922-N924 WeakPolarHBondContact OD1-CB 3.31Å; D922-N924 PolarHBondContact OD1-N 3.31Å; D922-K925 PolarHBondContact O-N 3.02Å; D922-K925 PolarHBondContact OD1-N 3.15Å; D922-K925 VanDerWaalsContact OD1-N 3.13Å; D922-N926 PolarHBondContact N-O 2.82Å; D922-N926 VanDerWaalsContact N-O 3.16Å; D922-N926 WeakPolarHBondContact OD1-CB 3.32Å; D922-N926 PolarHBondContact OD1-N 3.27Å; D922-N926 PolarHBondContact OD1-ND2 3.25Å; D922-N926 WeakPolarHBondContact OD2-CB 3.48Å; D922-N926 PolarHBondContact OD2-ND2 3.3Å | ||
| 923 | E | 90.8 | Very high | 89.2 | Confident | 139 Ų | 139 | 51.5 Ų | 51.5 | 65% | 0.65 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -28.3 | 176.1 | -79.8 | 178 | 167.5 | 0 | 0 | 114.3 | T890 | T890-E923 WeakPolarHBondContact O-CG 3.19Å; T890-E923 PolarHBondContact O-N 3.17Å |
| 924 | N | 89.6 | Confident | 89.5 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 12.7 | 180 | -67.4 | -51.3 | 0 | 0 | 0 | 113 | D922 N926 S959 | D922-N924 PolarHBondContact O-N 3.07Å; D922-N924 VanDerWaalsContact OD1-C 3.3Å; D922-N924 WeakPolarHBondContact OD1-CA 3.42Å; D922-N924 WeakPolarHBondContact OD1-CB 3.31Å; D922-N924 PolarHBondContact OD1-N 3.31Å; N924-N926 WeakPolarHBondContact CB-ND2 3.4Å; N924-N926 PolarHBondContact O-N 3.09Å; N924-S959 WeakPolarHBondContact O-CB 3.4Å; N924-S959 PolarHBondContact O-N 3.49Å; N924-S959 PolarHBondContact O-OG 3.41Å |
| 925 | K | 88.2 | Confident | 90.1 | Very high | 127 Ų | 127 | 50.6 Ų | 50.6 | 55% | 0.552 | 26% | 0.256 | S | S | * | . | trans | 60.5 | 24.8 | -174.7 | -55.2 | -179.7 | 179.5 | 177.6 | 0 | 114 | L921 D922 | L921-K925 HydrophobicContact CD1-CB 4.38Å; D922-K925 PolarHBondContact O-N 3.02Å; D922-K925 PolarHBondContact OD1-N 3.15Å; D922-K925 VanDerWaalsContact OD1-N 3.13Å | ||
| 926 | N | 91 | Very high | 90.3 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | trans | -80.7 | 136.6 | 174.2 | -61 | -55.5 | 0 | 0 | 0 | 110.5 | D922 N924 H930 L931 N958 | D922-N926 PolarHBondContact N-O 2.82Å; D922-N926 VanDerWaalsContact N-O 3.16Å; D922-N926 WeakPolarHBondContact OD1-CB 3.32Å; D922-N926 PolarHBondContact OD1-N 3.27Å; D922-N926 PolarHBondContact OD1-ND2 3.25Å; D922-N926 WeakPolarHBondContact OD2-CB 3.48Å; D922-N926 PolarHBondContact OD2-ND2 3.3Å; N924-N926 WeakPolarHBondContact CB-ND2 3.4Å; N924-N926 PolarHBondContact O-N 3.09Å; N926-H930 HydrophobicContact CB-CB 3.86Å; N926-L931 HydrophobicContact CB-CD2 4.19Å; N926-L931 HydrophobicContact CB-CG 4.22Å; N926-N958 WeakPolarHBondContact OD1-CB 3.24Å; N926-N958 PolarHBondContact OD1-ND2 3.46Å | ||
| 927 | T | 91.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | trans | -83.9 | 167.3 | 163.6 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | L921 L929 H930 L931 L953 A956 | L921-T927 HydrophobicContact CD2-CG2 3.57Å; T927-L929 PolarHBondContact O-N 3.18Å; T927-L929 VanDerWaalsContact O-N 3.13Å; T927-L929 PolarHBondContact OG1-N 3.34Å; T927-H930 PolarHBondContact N-ND1 3.16Å; T927-H930 WeakPolarHBondContact O-CB 3.23Å; T927-H930 PolarHBondContact O-N 3.04Å; T927-H930 PolarHBondContact OG1-ND1 2.77Å; T927-L931 PolarHBondContact O-N 2.9Å; T927-L953 HydrophobicContact CG2-CD2 4.38Å; T927-A956 HydrophobicContact CG2-CB 4.22Å | ||
| 928 | A | 90.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.6 | -32.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L895 M896 A899 L931 A932 I944 | L895-A928 HydrophobicContact CD2-CB 4.11Å; L895-A928 HydrophobicContact CG-CB 4.09Å; M896-A928 HydrophobicContact CG-CB 4.13Å; A899-A928 HydrophobicContact CB-CB 4.18Å; A928-L931 PolarHBondContact O-N 2.66Å; A928-A932 PolarHBondContact O-N 3.25Å; A928-I944 HydrophobicContact CB-CD1 4.08Å |
| 929 | L | 91.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 176.2 | -176.6 | 61.7 | 0 | 0 | 0 | 112.5 | T927 L931 C933 A941 I944 L945 P964 L980 | T927-L929 PolarHBondContact O-N 3.18Å; T927-L929 VanDerWaalsContact O-N 3.13Å; T927-L929 PolarHBondContact OG1-N 3.34Å; L929-L931 VanDerWaalsContact C-N 3.34Å; L929-C933 WeakPolarHBondContact O-CB 3.45Å; L929-C933 PolarHBondContact O-N 3.31Å; L929-C933 PolarHBondContact O-SG 3.38Å; L929-A941 HydrophobicContact CD1-CB 4.07Å; L929-I944 HydrophobicContact CB-CG2 4.09Å; L929-I944 HydrophobicContact CD1-CB 4.41Å; L929-I944 HydrophobicContact CD1-CG2 4.34Å; L929-L945 HydrophobicContact CD1-CD1 4.23Å; L929-L945 HydrophobicContact CD1-CD2 4.2Å; L929-L945 HydrophobicContact CD1-CG 3.83Å; L929-L945 HydrophobicContact CD2-CD2 3.68Å; L929-L945 HydrophobicContact CD2-CG 4.25Å; L929-P964 HydrophobicContact CD2-CB 3.83Å; L929-P964 HydrophobicContact CD2-CG 3.77Å; L929-P964 HydrophobicContact CG-CB 3.91Å; L929-P964 HydrophobicContact CG-CG 4.06Å; L929-L980 HydrophobicContact CD2-CD2 4.33Å |
| 930 | H | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.7 | -71.2 | 86.7 | 0 | 0 | 0 | 111.1 | N926 T927 C933 S934 A956 Q962 P964 I967 | N926-H930 HydrophobicContact CB-CB 3.86Å; T927-H930 PolarHBondContact N-ND1 3.16Å; T927-H930 WeakPolarHBondContact O-CB 3.23Å; T927-H930 PolarHBondContact O-N 3.04Å; T927-H930 PolarHBondContact OG1-ND1 2.77Å; H930-C933 PolarHBondContact O-N 3.01Å; H930-S934 WeakPolarHBondContact O-CB 3.35Å; H930-S934 PolarHBondContact O-N 3.07Å; H930-A956 PolarHBondContact CE1-O 3.45Å; H930-A956 VanDerWaalsContact CE1-O 3.27Å; H930-A956 PolarHBondContact NE2-O 2.93Å; H930-A956 VanDerWaalsContact NE2-O 3.15Å; H930-Q962 PolarHBondContact NE2-O 2.96Å; H930-Q962 VanDerWaalsContact NE2-O 3.09Å; H930-P964 WeakPolarHBondContact NE2-CD 3.46Å; H930-I967 HydrophobicContact CB-CD1 4.28Å |
| 931 | L | 92.3 | Very high | 91.4 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -44.2 | -179.4 | -63.8 | 173.8 | 0 | 0 | 0 | 112 | M896 E900 N926 T927 A928 L929 C933 S934 K935 | M896-L931 HydrophobicContact CB-CD1 3.67Å; M896-L931 HydrophobicContact CG-CD1 4Å; M896-L931 HydrophobicContact SD-CD1 4.35Å; E900-L931 HydrophobicContact CB-CB 4.31Å; N926-L931 HydrophobicContact CB-CD2 4.19Å; N926-L931 HydrophobicContact CB-CG 4.22Å; T927-L931 PolarHBondContact O-N 2.9Å; A928-L931 PolarHBondContact O-N 2.66Å; L929-L931 VanDerWaalsContact C-N 3.34Å; L931-C933 PolarHBondContact O-N 3.5Å; L931-S934 PolarHBondContact O-N 3.26Å; L931-K935 PolarHBondContact O-N 2.89Å; L931-K935 VanDerWaalsContact O-N 3.09Å |
| 932 | A | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A899 A928 G936 H937 C940 A941 I944 | A899-A932 HydrophobicContact CB-CB 4.23Å; A928-A932 PolarHBondContact O-N 3.25Å; A932-G936 PolarHBondContact O-N 3.4Å; A932-H937 PolarHBondContact O-N 3.26Å; A932-C940 HydrophobicContact CB-CB 4.23Å; A932-A941 HydrophobicContact CB-CB 4.04Å; A932-I944 HydrophobicContact CB-CD1 4.38Å |
| 933 | C | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -40.2 | 177 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | L929 H930 L931 K935 G936 I967 A968 N971 L973 | L929-C933 WeakPolarHBondContact O-CB 3.45Å; L929-C933 PolarHBondContact O-N 3.31Å; L929-C933 PolarHBondContact O-SG 3.38Å; H930-C933 PolarHBondContact O-N 3.01Å; L931-C933 PolarHBondContact O-N 3.5Å; C933-K935 VanDerWaalsContact C-N 3.35Å; C933-K935 PolarHBondContact O-N 3Å; C933-G936 PolarHBondContact O-N 2.97Å; C933-I967 HydrophobicContact CB-CB 4.19Å; C933-I967 HydrophobicContact CB-CG2 3.86Å; C933-A968 HydrophobicContact CB-CB 4.38Å; C933-N971 PolarHBondContact O-ND2 2.88Å; C933-L973 HydrophobicContact CB-CD1 4.38Å |
| 934 | S | 92.1 | Very high | 91.3 | Very high | 63 Ų | 63 | 39.1 Ų | 39.1 | 44% | 0.441 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.9 | -38.7 | -178.3 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | H930 L931 I967 N971 | H930-S934 WeakPolarHBondContact O-CB 3.35Å; H930-S934 PolarHBondContact O-N 3.07Å; L931-S934 PolarHBondContact O-N 3.26Å; S934-I967 VanDerWaalsContact CA-CG2 3.42Å; S934-N971 PolarHBondContact O-ND2 2.86Å |
| 935 | K | 91.3 | Very high | 91.2 | Very high | 117 Ų | 117 | 35.1 Ų | 35.1 | 51% | 0.509 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -89.2 | -2.1 | 177.9 | -62.2 | -66.3 | -173.3 | 179.3 | 0 | 114.2 | E900 L931 C933 H937 | E900-K935 HydrophobicContact CG-CD 4.5Å; E900-K935 HydrophobicContact CG-CG 3.92Å; E900-K935 WeakPolarHBondContact O-CG 3.28Å; L931-K935 PolarHBondContact O-N 2.89Å; L931-K935 VanDerWaalsContact O-N 3.09Å; C933-K935 VanDerWaalsContact C-N 3.35Å; C933-K935 PolarHBondContact O-N 3Å; K935-H937 VanDerWaalsContact CB-CD2 3.47Å; K935-H937 WeakPolarHBondContact CB-CD2 3.36Å |
| 936 | G | 91.1 | Very high | 91.1 | Very high | 32 Ų | 32 | 31.1 Ų | 31.1 | 33% | 0.33 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 19.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A932 C933 E938 | A932-G936 PolarHBondContact O-N 3.4Å; C933-G936 PolarHBondContact O-N 2.97Å; G936-E938 PolarHBondContact O-N 3.47Å |
| 937 | H | 94.6 | Very high | 90.7 | Very high | 59 Ų | 59 | 34.4 Ų | 34.4 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | trans | -84.1 | 76.9 | -178.3 | -61.3 | -49.9 | 0 | 0 | 0 | 111.4 | A899 E900 G902 A932 K935 K939 C940 A941 | A899-H937 PolarHBondContact O-CD2 3.44Å; E900-H937 PolarHBondContact O-CD2 2.88Å; E900-H937 PolarHBondContact O-NE2 3.29Å; E900-H937 VanDerWaalsContact O-NE2 3.12Å; G902-H937 WeakPolarHBondContact CA-CD2 3.44Å; G902-H937 PolarHBondContact N-CD2 3.46Å; G902-H937 VanDerWaalsContact N-CD2 3.28Å; G902-H937 PolarHBondContact N-NE2 3.15Å; A932-H937 PolarHBondContact O-N 3.26Å; K935-H937 VanDerWaalsContact CB-CD2 3.47Å; K935-H937 WeakPolarHBondContact CB-CD2 3.36Å; H937-K939 VanDerWaalsContact C-N 3.34Å; H937-K939 PolarHBondContact O-N 2.79Å; H937-C940 HydrophobicContact CB-CB 4.13Å; H937-C940 PolarHBondContact O-N 3.39Å; H937-A941 PolarHBondContact O-N 3.09Å | ||
| 938 | E | 92.1 | Very high | 90.1 | Very high | 70 Ų | 70 | 34.4 Ų | 34.4 | 33% | 0.327 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -51 | -46.6 | -176 | 175.9 | 161.1 | -142.3 | 0 | 0 | 113.5 | G936 A941 L942 L973 S975 V976 | G936-E938 PolarHBondContact O-N 3.47Å; E938-A941 PolarHBondContact O-N 3.08Å; E938-L942 HydrophobicContact CG-CD1 4.05Å; E938-L942 VanDerWaalsContact O-CG 3.32Å; E938-L942 WeakPolarHBondContact O-CG 3.28Å; E938-L942 PolarHBondContact O-N 2.68Å; E938-L973 HydrophobicContact CB-CD2 4.34Å; E938-S975 WeakPolarHBondContact OE1-CB 3.3Å; E938-S975 PolarHBondContact OE1-N 3.1Å; E938-S975 PolarHBondContact OE1-OG 2.87Å; E938-V976 HydrophobicContact CB-CG2 4.26Å; E938-V976 HydrophobicContact CG-CG2 3.84Å |
| 939 | K | 91.1 | Very high | 89.4 | Confident | 127 Ų | 127 | 42.6 Ų | 42.6 | 55% | 0.552 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66.6 | -42 | -177.9 | -169.8 | 171 | 175.3 | -166.9 | 0 | 112.7 | T904 H937 L942 M943 | T904-K939 HydrophobicContact CG2-CB 3.94Å; T904-K939 HydrophobicContact CG2-CD 3.93Å; T904-K939 HydrophobicContact CG2-CG 3.93Å; H937-K939 VanDerWaalsContact C-N 3.34Å; H937-K939 PolarHBondContact O-N 2.79Å; K939-L942 PolarHBondContact O-N 2.91Å; K939-M943 HydrophobicContact CD-CE 4.35Å; K939-M943 HydrophobicContact CG-CE 3.99Å; K939-M943 HydrophobicContact CG-SD 4.45Å; K939-M943 VanDerWaalsContact O-CG 3.31Å; K939-M943 WeakPolarHBondContact O-CG 3.27Å; K939-M943 PolarHBondContact O-N 3.47Å |
| 940 | C | 92.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.8 | -65 | 0 | 0 | 0 | 0 | 111.2 | G902 T904 V907 A932 H937 L942 M943 I944 | G902-C940 VanDerWaalsContact C-SG 3.58Å; T904-C940 VanDerWaalsContact CG2-SG 3.51Å; V907-C940 HydrophobicContact CG2-CB 4.36Å; A932-C940 HydrophobicContact CB-CB 4.23Å; H937-C940 HydrophobicContact CB-CB 4.13Å; H937-C940 PolarHBondContact O-N 3.39Å; C940-L942 PolarHBondContact O-N 3.31Å; C940-M943 PolarHBondContact O-N 3.16Å; C940-I944 WeakPolarHBondContact O-CG1 3.42Å; C940-I944 PolarHBondContact O-N 3.11Å |
| 941 | A | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L929 A932 H937 E938 I944 L945 V976 | L929-A941 HydrophobicContact CD1-CB 4.07Å; A932-A941 HydrophobicContact CB-CB 4.04Å; H937-A941 PolarHBondContact O-N 3.09Å; E938-A941 PolarHBondContact O-N 3.08Å; A941-I944 PolarHBondContact O-N 3.43Å; A941-L945 WeakPolarHBondContact O-CB 3.19Å; A941-L945 VanDerWaalsContact O-CG 3.23Å; A941-L945 WeakPolarHBondContact O-CG 3.46Å; A941-L945 PolarHBondContact O-N 3.5Å; A941-V976 HydrophobicContact CB-CG1 3.98Å; A941-V976 HydrophobicContact CB-CG2 3.97Å |
| 942 | L | 91.3 | Very high | 87.7 | Confident | 61 Ų | 61 | 53 Ų | 53 | 32% | 0.319 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 176.4 | -70.5 | 174.3 | 0 | 0 | 0 | 113 | E938 K939 C940 L945 A946 V976 A979 | E938-L942 HydrophobicContact CG-CD1 4.05Å; E938-L942 VanDerWaalsContact O-CG 3.32Å; E938-L942 WeakPolarHBondContact O-CG 3.28Å; E938-L942 PolarHBondContact O-N 2.68Å; K939-L942 PolarHBondContact O-N 2.91Å; C940-L942 PolarHBondContact O-N 3.31Å; L942-L945 CarbonylContact O-C 3.53Å; L942-L945 PolarHBondContact O-N 2.97Å; L942-A946 PolarHBondContact O-N 2.66Å; L942-V976 HydrophobicContact CD2-CG2 4.31Å; L942-V976 HydrophobicContact CG-CG2 4.2Å; L942-A979 HydrophobicContact CD2-CB 3.67Å |
| 943 | M | 89.6 | Confident | 87.2 | Confident | 30 Ų | 30 | 54.3 Ų | 54.3 | 15% | 0.148 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.8 | -73.4 | 168.8 | 169.8 | 0 | 0 | 111.7 | V907 E908 L911 K939 C940 L945 A946 E947 | V907-M943 HydrophobicContact CG1-CB 4.33Å; E908-M943 HydrophobicContact CB-CE 4.49Å; E908-M943 HydrophobicContact CB-SD 4.26Å; L911-M943 HydrophobicContact CD1-CB 4.36Å; K939-M943 HydrophobicContact CD-CE 4.35Å; K939-M943 HydrophobicContact CG-CE 3.99Å; K939-M943 HydrophobicContact CG-SD 4.45Å; K939-M943 VanDerWaalsContact O-CG 3.31Å; K939-M943 WeakPolarHBondContact O-CG 3.27Å; K939-M943 PolarHBondContact O-N 3.47Å; C940-M943 PolarHBondContact O-N 3.16Å; M943-L945 VanDerWaalsContact C-N 3.28Å; M943-L945 PolarHBondContact O-N 3.39Å; M943-A946 WeakPolarHBondContact O-CB 3.2Å; M943-A946 PolarHBondContact O-N 3.49Å; M943-E947 PolarHBondContact O-N 3.12Å |
| 944 | I | 89.2 | Confident | 86.8 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.2 | -63.4 | 164.2 | 0 | 0 | 0 | 110.5 | A899 V907 L911 L918 A928 L929 A932 C940 A941 A946 E947 T948 | A899-I944 HydrophobicContact CB-CD1 4.1Å; V907-I944 HydrophobicContact CG1-CD1 4.38Å; V907-I944 HydrophobicContact CG1-CG1 3.97Å; L911-I944 HydrophobicContact CD1-CG1 4.02Å; L918-I944 HydrophobicContact CD2-CG2 4.28Å; A928-I944 HydrophobicContact CB-CD1 4.08Å; L929-I944 HydrophobicContact CB-CG2 4.09Å; L929-I944 HydrophobicContact CD1-CB 4.41Å; L929-I944 HydrophobicContact CD1-CG2 4.34Å; A932-I944 HydrophobicContact CB-CD1 4.38Å; C940-I944 WeakPolarHBondContact O-CG1 3.42Å; C940-I944 PolarHBondContact O-N 3.11Å; A941-I944 PolarHBondContact O-N 3.43Å; I944-A946 VanDerWaalsContact C-N 3.33Å; I944-A946 PolarHBondContact O-N 2.92Å; I944-E947 PolarHBondContact O-N 3.25Å; I944-T948 HydrophobicContact CG2-CG2 4.38Å; I944-T948 WeakPolarHBondContact O-CG2 3.33Å; I944-T948 PolarHBondContact O-N 2.85Å; I944-T948 VanDerWaalsContact O-N 3.11Å; I944-T948 PolarHBondContact O-OG1 3.14Å |
| 945 | L | 87.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.6 | -23.3 | 175.5 | -73.7 | 170.5 | 0 | 0 | 0 | 114.5 | L929 A941 L942 M943 E947 T948 V976 A979 L980 R983 | L929-L945 HydrophobicContact CD1-CD1 4.23Å; L929-L945 HydrophobicContact CD1-CD2 4.2Å; L929-L945 HydrophobicContact CD1-CG 3.83Å; L929-L945 HydrophobicContact CD2-CD2 3.68Å; L929-L945 HydrophobicContact CD2-CG 4.25Å; A941-L945 WeakPolarHBondContact O-CB 3.19Å; A941-L945 VanDerWaalsContact O-CG 3.23Å; A941-L945 WeakPolarHBondContact O-CG 3.46Å; A941-L945 PolarHBondContact O-N 3.5Å; L942-L945 CarbonylContact O-C 3.53Å; L942-L945 PolarHBondContact O-N 2.97Å; M943-L945 VanDerWaalsContact C-N 3.28Å; M943-L945 PolarHBondContact O-N 3.39Å; L945-E947 VanDerWaalsContact C-N 3.35Å; L945-T948 WeakPolarHBondContact CA-OG1 3.46Å; L945-V976 HydrophobicContact CD1-CG1 3.78Å; L945-A979 HydrophobicContact CD1-CB 4.27Å; L945-L980 HydrophobicContact CD1-CD2 4.07Å; L945-L980 HydrophobicContact CD1-CG 3.89Å; L945-L980 HydrophobicContact CD2-CD2 3.54Å; L945-L980 HydrophobicContact CD2-CG 4.27Å; L945-L980 HydrophobicContact CG-CD2 4.45Å; L945-R983 PolarHBondContact O-NE 2.84Å; L945-R983 PolarHBondContact O-NH2 3.03Å |
| 946 | A | 85.6 | Confident | 86.3 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L942 M943 I944 | L942-A946 PolarHBondContact O-N 2.66Å; M943-A946 WeakPolarHBondContact O-CB 3.2Å; M943-A946 PolarHBondContact O-N 3.49Å; I944-A946 VanDerWaalsContact C-N 3.33Å; I944-A946 PolarHBondContact O-N 2.92Å |
| 947 | E | 82.6 | Confident | 86.2 | Confident | 87 Ų | 87 | 50.2 Ų | 50.2 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -88.4 | -17.4 | -177.9 | -64.1 | -53.5 | 113.4 | 0 | 0 | 114.1 | L911 Y912 M943 I944 L945 | L911-E947 HydrophobicContact CB-CG 4.42Å; Y912-E947 HydrophobicContact CE1-CG 3.89Å; Y912-E947 WeakPolarHBondContact CE1-OE1 3.31Å; Y912-E947 VanDerWaalsContact CZ-CD 3.49Å; Y912-E947 PolarHBondContact OH-OE1 2.97Å; M943-E947 PolarHBondContact O-N 3.12Å; I944-E947 PolarHBondContact O-N 3.25Å; L945-E947 VanDerWaalsContact C-N 3.35Å |
| 948 | T | 79 | Confident | 86 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | trans | -94.1 | 117.2 | 178.1 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | L918 I944 L945 L953 | L918-T948 HydrophobicContact CD1-CG2 3.42Å; L918-T948 VanDerWaalsContact CD1-CG2 3.42Å; I944-T948 HydrophobicContact CG2-CG2 4.38Å; I944-T948 WeakPolarHBondContact O-CG2 3.33Å; I944-T948 PolarHBondContact O-N 2.85Å; I944-T948 VanDerWaalsContact O-N 3.11Å; I944-T948 PolarHBondContact O-OG1 3.14Å; L945-T948 WeakPolarHBondContact CA-OG1 3.46Å; T948-L953 HydrophobicContact CG2-CD1 4.11Å | ||
| 949 | Q | 74.9 | Confident | 85.9 | Confident | 175 Ų | 175 | 48.1 Ų | 48.1 | 82% | 0.818 | 27% | 0.269 | S | S | * | . | trans | -111.2 | -4.8 | 168.7 | -62.5 | -178.6 | 11.1 | 0 | 0 | 112.4 | L951 | Q949-L951 PolarHBondContact O-N 2.91Š| ||
| 950 | D | 81.3 | Confident | 85.6 | Confident | 92 Ų | 92 | 43 Ų | 43 | 49% | 0.492 | 25% | 0.251 | S | S | . | . | trans | -74.8 | 115.1 | -179.9 | -171.4 | -2.1 | 0 | 0 | 0 | 110.7 | G952 L953 I954 | D950-G952 PolarHBondContact O-N 2.89Å; D950-G952 PolarHBondContact OD1-N 3.07Å; D950-L953 HydrophobicContact CB-CB 4.46Å; D950-L953 HydrophobicContact CB-CD1 4.27Å; D950-L953 HydrophobicContact CB-CG 4.31Å; D950-L953 PolarHBondContact O-N 2.91Å; D950-L953 VanDerWaalsContact O-N 3.09Å; D950-I954 WeakPolarHBondContact O-CG1 3.37Å; D950-I954 PolarHBondContact O-N 3.07Å; D950-I954 VanDerWaalsContact O-N 3.17Å | ||
| 951 | L | 79.1 | Confident | 85.3 | Confident | 99 Ų | 99 | 47.3 Ų | 47.3 | 52% | 0.518 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.7 | -25.8 | 175 | -71.3 | 170.3 | 0 | 0 | 0 | 112.2 | Q949 N955 R983 | Q949-L951 PolarHBondContact O-N 2.91Å; L951-N955 WeakPolarHBondContact O-CB 3.34Å; L951-N955 PolarHBondContact O-N 2.63Å; L951-N955 VanDerWaalsContact O-N 3.07Å; L951-N955 PolarHBondContact O-ND2 3.27Å; L951-R983 WeakPolarHBondContact CD2-O 3.36Å |
| 952 | G | 80.9 | Confident | 85.2 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 46% | 0.464 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D950 A956 | D950-G952 PolarHBondContact O-N 2.89Å; D950-G952 PolarHBondContact OD1-N 3.07Å; G952-A956 WeakPolarHBondContact O-CA 3.32Å; G952-A956 WeakPolarHBondContact O-CB 3.15Å; G952-A956 PolarHBondContact O-N 3.2Å |
| 953 | L | 81.6 | Confident | 85.2 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -80.1 | -34.9 | 177.8 | -68.5 | 175 | 0 | 0 | 0 | 112.3 | L918 T919 T927 T948 D950 N955 A956 | L918-L953 HydrophobicContact CB-CD1 3.95Å; T919-L953 HydrophobicContact CG2-CD2 4.37Å; T927-L953 HydrophobicContact CG2-CD2 4.38Å; T948-L953 HydrophobicContact CG2-CD1 4.11Å; D950-L953 HydrophobicContact CB-CB 4.46Å; D950-L953 HydrophobicContact CB-CD1 4.27Å; D950-L953 HydrophobicContact CB-CG 4.31Å; D950-L953 PolarHBondContact O-N 2.91Å; D950-L953 VanDerWaalsContact O-N 3.09Å; L953-N955 VanDerWaalsContact C-N 3.34Å; L953-A956 WeakPolarHBondContact O-CB 3.36Å; L953-A956 PolarHBondContact O-N 2.97Å |
| 954 | I | 84.9 | Confident | 85.2 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 177 | -66.7 | 167.3 | 0 | 0 | 0 | 111.2 | D950 L980 R983 A985 | D950-I954 WeakPolarHBondContact O-CG1 3.37Å; D950-I954 PolarHBondContact O-N 3.07Å; D950-I954 VanDerWaalsContact O-N 3.17Å; I954-L980 HydrophobicContact CG2-CD2 3.97Å; I954-R983 HydrophobicContact CD1-CB 3.91Å; I954-A985 HydrophobicContact CG2-CB 3.8Å |
| 955 | N | 85.8 | Confident | 85.2 | Confident | 38 Ų | 38 | 45.1 Ų | 45.1 | 20% | 0.203 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 16.5 | 177.7 | -60.6 | -67.2 | 0 | 0 | 0 | 112.9 | L951 L953 T957 M963 A985 T986 | L951-N955 WeakPolarHBondContact O-CB 3.34Å; L951-N955 PolarHBondContact O-N 2.63Å; L951-N955 VanDerWaalsContact O-N 3.07Å; L951-N955 PolarHBondContact O-ND2 3.27Å; L953-N955 VanDerWaalsContact C-N 3.34Å; N955-T957 PolarHBondContact O-N 2.83Å; N955-M963 HydrophobicContact CB-SD 3.97Å; N955-A985 WeakPolarHBondContact OD1-CA 2.85Å; N955-T986 PolarHBondContact OD1-N 3.31Å; N955-T986 PolarHBondContact OD1-OG1 3.48Å |
| 956 | A | 87.4 | Confident | 85.3 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | trans | -61.8 | 138.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | T927 H930 G952 L953 M963 P964 | T927-A956 HydrophobicContact CG2-CB 4.22Å; H930-A956 PolarHBondContact CE1-O 3.45Å; H930-A956 VanDerWaalsContact CE1-O 3.27Å; H930-A956 PolarHBondContact NE2-O 2.93Å; H930-A956 VanDerWaalsContact NE2-O 3.15Å; G952-A956 WeakPolarHBondContact O-CA 3.32Å; G952-A956 WeakPolarHBondContact O-CB 3.15Å; G952-A956 PolarHBondContact O-N 3.2Å; L953-A956 WeakPolarHBondContact O-CB 3.36Å; L953-A956 PolarHBondContact O-N 2.97Å; A956-M963 WeakPolarHBondContact O-CA 3.45Å; A956-P964 WeakPolarHBondContact O-CD 3.26Å | ||
| 957 | T | 88.2 | Confident | 85.5 | Confident | 66 Ų | 66 | 43.7 Ų | 43.7 | 41% | 0.405 | 25% | 0.247 | S | C | . | . | trans | -109.2 | 132.7 | 178.3 | 56 | 0 | 0 | 0 | 0 | 110.3 | N955 M963 | N955-T957 PolarHBondContact O-N 2.83Å; T957-M963 HydrophobicContact CG2-CG 3.92Å | ||
| 958 | N | 90.1 | Very high | 85.9 | Confident | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | trans | -75.3 | -173.5 | 171.8 | 70.8 | 5.6 | 0 | 0 | 0 | 112.5 | N926 A960 L961 Q962 | N926-N958 WeakPolarHBondContact OD1-CB 3.24Å; N926-N958 PolarHBondContact OD1-ND2 3.46Å; N958-A960 PolarHBondContact O-N 2.72Å; N958-A960 WeakPolarHBondContact OD1-CA 3.19Å; N958-A960 PolarHBondContact OD1-N 3.41Å; N958-L961 PolarHBondContact O-N 2.94Å; N958-L961 PolarHBondContact OD1-N 3.14Å; N958-Q962 PolarHBondContact N-O 2.9Å; N958-Q962 VanDerWaalsContact N-O 3.09Å; N958-Q962 WeakPolarHBondContact OD1-CB 3.42Å; N958-Q962 PolarHBondContact OD1-N 3.29Å; N958-Q962 PolarHBondContact OD1-O 3.25Å | ||
| 959 | S | 89.8 | Confident | 86.3 | Confident | 72 Ų | 72 | 39.9 Ų | 39.9 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.9 | 178.2 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | N924 L961 | N924-S959 WeakPolarHBondContact O-CB 3.4Å; N924-S959 PolarHBondContact O-N 3.49Å; N924-S959 PolarHBondContact O-OG 3.41Å; S959-L961 VanDerWaalsContact C-N 3.3Å |
| 960 | A | 85.8 | Confident | 86.9 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 16.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N958 Q962 E992 | N958-A960 PolarHBondContact O-N 2.72Å; N958-A960 WeakPolarHBondContact OD1-CA 3.19Å; N958-A960 PolarHBondContact OD1-N 3.41Å; A960-Q962 HydrophobicContact CB-CG 4.24Å; A960-Q962 PolarHBondContact O-N 2.99Å; A960-E992 WeakPolarHBondContact O-CB 3.32Å; A960-E992 PolarHBondContact O-N 3.25Å |
| 961 | L | 86.7 | Confident | 87.2 | Confident | 91 Ų | 91 | 37.7 Ų | 37.7 | 48% | 0.476 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 58.7 | 15.6 | -175.8 | -58.1 | 173.9 | 0 | 0 | 0 | 114.6 | N958 S959 | N958-L961 PolarHBondContact O-N 2.94Å; N958-L961 PolarHBondContact OD1-N 3.14Å; S959-L961 VanDerWaalsContact C-N 3.3Å |
| 962 | Q | 87.8 | Confident | 87.6 | Confident | 39 Ų | 39 | 35.8 Ų | 35.8 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | trans | -83.9 | 125.6 | -179.8 | -66.2 | 174.1 | -25.5 | 0 | 0 | 110.4 | H930 N958 A960 H966 I967 D991 | H930-Q962 PolarHBondContact NE2-O 2.96Å; H930-Q962 VanDerWaalsContact NE2-O 3.09Å; N958-Q962 PolarHBondContact N-O 2.9Å; N958-Q962 VanDerWaalsContact N-O 3.09Å; N958-Q962 WeakPolarHBondContact OD1-CB 3.42Å; N958-Q962 PolarHBondContact OD1-N 3.29Å; N958-Q962 PolarHBondContact OD1-O 3.25Å; A960-Q962 HydrophobicContact CB-CG 4.24Å; A960-Q962 PolarHBondContact O-N 2.99Å; Q962-H966 HydrophobicContact CB-CB 4.3Å; Q962-I967 HydrophobicContact CB-CD1 4.45Å; Q962-I967 HydrophobicContact CB-CG1 4.22Å; Q962-D991 HydrophobicContact CG-CB 3.7Å | ||
| 963 | M | 90.9 | Very high | 88 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | trans | -76.8 | 159.5 | 164 | -56.1 | -174 | -54.2 | 0 | 0 | 111.7 | N955 A956 T957 L965 H966 I967 T986 A989 P997 | N955-M963 HydrophobicContact CB-SD 3.97Å; A956-M963 WeakPolarHBondContact O-CA 3.45Å; T957-M963 HydrophobicContact CG2-CG 3.92Å; M963-L965 PolarHBondContact O-N 3.02Å; M963-H966 WeakPolarHBondContact CB-ND1 3.36Å; M963-H966 PolarHBondContact N-ND1 3.12Å; M963-H966 WeakPolarHBondContact O-CB 3.42Å; M963-H966 PolarHBondContact O-N 3.06Å; M963-I967 PolarHBondContact O-N 3.49Å; M963-T986 WeakPolarHBondContact CE-O 3.48Å; M963-A989 HydrophobicContact CE-CB 3.42Å; M963-A989 VanDerWaalsContact CE-CB 3.42Å; M963-A989 HydrophobicContact CG-CB 4.49Å; M963-A989 HydrophobicContact SD-CB 3.69Å; M963-P997 HydrophobicContact CE-CG 4.31Å | ||
| 964 | P | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.9 | -32.2 | 173.2 | -27 | 35.5 | 0 | 0 | 0 | 113.3 | L929 H930 A956 H966 I967 A968 L980 | L929-P964 HydrophobicContact CD2-CB 3.83Å; L929-P964 HydrophobicContact CD2-CG 3.77Å; L929-P964 HydrophobicContact CG-CB 3.91Å; L929-P964 HydrophobicContact CG-CG 4.06Å; H930-P964 WeakPolarHBondContact NE2-CD 3.46Å; A956-P964 WeakPolarHBondContact O-CD 3.26Å; P964-H966 PolarHBondContact O-N 3.34Å; P964-I967 PolarHBondContact O-N 3.31Å; P964-A968 VanDerWaalsContact O-CB 3.25Å; P964-A968 WeakPolarHBondContact O-CB 3.45Å; P964-A968 PolarHBondContact O-N 3.5Å; P964-L980 HydrophobicContact CB-CD1 4.36Å; P964-L980 HydrophobicContact CB-CD2 4.48Å |
| 965 | L | 90.2 | Very high | 88.7 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 175.9 | -173.4 | 63.2 | 0 | 0 | 0 | 112.9 | M963 A969 V977 L980 L981 A985 V987 P997 | M963-L965 PolarHBondContact O-N 3.02Å; L965-A969 WeakPolarHBondContact O-CB 3.47Å; L965-A969 PolarHBondContact O-N 2.82Å; L965-V977 HydrophobicContact CD1-CB 4.44Å; L965-V977 HydrophobicContact CD1-CG1 4.02Å; L965-V977 HydrophobicContact CD1-CG2 4.41Å; L965-L980 HydrophobicContact CB-CD1 4.2Å; L965-L980 HydrophobicContact CD1-CB 3.99Å; L965-L980 HydrophobicContact CD1-CD1 4.07Å; L965-L981 HydrophobicContact CD1-CD2 4.37Å; L965-L981 HydrophobicContact CD1-CG 4.32Å; L965-L981 HydrophobicContact CD2-CD2 3.98Å; L965-A985 HydrophobicContact CB-CB 4.42Å; L965-A985 HydrophobicContact CD2-CB 3.91Å; L965-V987 HydrophobicContact CD2-CG1 4.32Å; L965-P997 HydrophobicContact CB-CB 4.47Å; L965-P997 HydrophobicContact CB-CG 4.45Å; L965-P997 HydrophobicContact CD2-CB 3.93Å; L965-P997 HydrophobicContact CD2-CG 3.79Å; L965-P997 HydrophobicContact CG-CB 3.75Å; L965-P997 HydrophobicContact CG-CG 4.01Å |
| 966 | H | 89 | Confident | 88.9 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.2 | -64 | 92.9 | 0 | 0 | 0 | 110.7 | Q962 M963 P964 R970 A989 H995 P997 A1000 | Q962-H966 HydrophobicContact CB-CB 4.3Å; M963-H966 WeakPolarHBondContact CB-ND1 3.36Å; M963-H966 PolarHBondContact N-ND1 3.12Å; M963-H966 WeakPolarHBondContact O-CB 3.42Å; M963-H966 PolarHBondContact O-N 3.06Å; P964-H966 PolarHBondContact O-N 3.34Å; H966-R970 VanDerWaalsContact O-CB 3.32Å; H966-R970 WeakPolarHBondContact O-CB 3.2Å; H966-R970 PolarHBondContact O-N 3.39Å; H966-A989 PolarHBondContact NE2-O 3.18Å; H966-H995 PolarHBondContact NE2-O 3.41Å; H966-P997 WeakPolarHBondContact NE2-CD 3.4Å; H966-A1000 HydrophobicContact CB-CB 4.33Å |
| 967 | I | 89.6 | Confident | 89 | Confident | 14 Ų | 14 | 37.7 Ų | 37.7 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.1 | -44.7 | -178 | -57.1 | 177.7 | 0 | 0 | 0 | 110.6 | H930 C933 S934 Q962 M963 P964 A969 R970 N971 | H930-I967 HydrophobicContact CB-CD1 4.28Å; C933-I967 HydrophobicContact CB-CB 4.19Å; C933-I967 HydrophobicContact CB-CG2 3.86Å; S934-I967 VanDerWaalsContact CA-CG2 3.42Å; Q962-I967 HydrophobicContact CB-CD1 4.45Å; Q962-I967 HydrophobicContact CB-CG1 4.22Å; M963-I967 PolarHBondContact O-N 3.49Å; P964-I967 PolarHBondContact O-N 3.31Å; I967-A969 PolarHBondContact O-N 3.26Å; I967-R970 PolarHBondContact O-N 2.95Å; I967-N971 WeakPolarHBondContact O-CB 3.48Å; I967-N971 PolarHBondContact O-N 3.38Å |
| 968 | A | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C933 P964 N971 G972 L973 V976 V977 L980 | C933-A968 HydrophobicContact CB-CB 4.38Å; P964-A968 VanDerWaalsContact O-CB 3.25Å; P964-A968 WeakPolarHBondContact O-CB 3.45Å; P964-A968 PolarHBondContact O-N 3.5Å; A968-N971 PolarHBondContact O-N 3.48Å; A968-G972 PolarHBondContact O-N 3.44Å; A968-G972 VanDerWaalsContact O-N 3.14Å; A968-L973 HydrophobicContact CB-CB 4.29Å; A968-L973 HydrophobicContact CB-CD1 4.41Å; A968-L973 PolarHBondContact O-N 2.91Å; A968-V976 HydrophobicContact CB-CB 4.41Å; A968-V976 HydrophobicContact CB-CG1 4.11Å; A968-V977 HydrophobicContact CB-CG2 3.89Å; A968-L980 HydrophobicContact CB-CD1 4.16Å |
| 969 | A | 88.8 | Confident | 89 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 12% | 0.116 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.4 | -45.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L965 I967 N971 G972 V977 P997 | L965-A969 WeakPolarHBondContact O-CB 3.47Å; L965-A969 PolarHBondContact O-N 2.82Å; I967-A969 PolarHBondContact O-N 3.26Å; A969-N971 VanDerWaalsContact C-N 3.3Å; A969-N971 PolarHBondContact O-N 3.44Å; A969-G972 PolarHBondContact O-N 2.96Å; A969-G972 VanDerWaalsContact O-N 3.12Å; A969-V977 HydrophobicContact CB-CG2 4.25Å; A969-P997 WeakPolarHBondContact CB-O 3.32Å |
| 970 | R | 87.2 | Confident | 88.9 | Confident | 149 Ų | 149 | 37.8 Ų | 37.8 | 56% | 0.562 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -58.6 | -39.6 | 175.8 | -175.6 | 173.6 | 175.5 | 178 | 0.7 | 113.1 | H966 I967 G972 A1000 | H966-R970 VanDerWaalsContact O-CB 3.32Å; H966-R970 WeakPolarHBondContact O-CB 3.2Å; H966-R970 PolarHBondContact O-N 3.39Å; I967-R970 PolarHBondContact O-N 2.95Å; R970-G972 VanDerWaalsContact C-N 3.33Å; R970-A1000 VanDerWaalsContact CB-O 3.3Å; R970-A1000 WeakPolarHBondContact CB-O 3.13Å; R970-A1000 WeakPolarHBondContact CG-O 3.35Å |
| 971 | N | 87.2 | Confident | 89 | Confident | 71 Ų | 71 | 40.6 Ų | 40.6 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 2.8 | -180 | -72.4 | -17.5 | 0 | 0 | 0 | 113.8 | C933 S934 I967 A968 A969 L973 | C933-N971 PolarHBondContact O-ND2 2.88Å; S934-N971 PolarHBondContact O-ND2 2.86Å; I967-N971 WeakPolarHBondContact O-CB 3.48Å; I967-N971 PolarHBondContact O-N 3.38Å; A968-N971 PolarHBondContact O-N 3.48Å; A969-N971 VanDerWaalsContact C-N 3.3Å; A969-N971 PolarHBondContact O-N 3.44Å; N971-L973 HydrophobicContact CB-CG 4.22Å; N971-L973 PolarHBondContact O-N 3.13Å |
| 972 | G | 87.4 | Confident | 89 | Confident | 60 Ų | 60 | 40.6 Ų | 40.6 | 62% | 0.619 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 24.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A968 A969 R970 A974 | A968-G972 PolarHBondContact O-N 3.44Å; A968-G972 VanDerWaalsContact O-N 3.14Å; A969-G972 PolarHBondContact O-N 2.96Å; A969-G972 VanDerWaalsContact O-N 3.12Å; R970-G972 VanDerWaalsContact C-N 3.33Å; G972-A974 VanDerWaalsContact C-N 3.33Å; G972-A974 PolarHBondContact O-N 2.7Å |
| 973 | L | 90.3 | Very high | 88.8 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | trans | -80.2 | 73.3 | -177 | -56.3 | -178.9 | 0 | 0 | 0 | 111.7 | C933 E938 A968 N971 S975 V976 V977 | C933-L973 HydrophobicContact CB-CD1 4.38Å; E938-L973 HydrophobicContact CB-CD2 4.34Å; A968-L973 HydrophobicContact CB-CB 4.29Å; A968-L973 HydrophobicContact CB-CD1 4.41Å; A968-L973 PolarHBondContact O-N 2.91Å; N971-L973 HydrophobicContact CB-CG 4.22Å; N971-L973 PolarHBondContact O-N 3.13Å; L973-S975 VanDerWaalsContact C-N 3.35Å; L973-S975 PolarHBondContact O-N 3.05Å; L973-V976 HydrophobicContact CB-CB 3.89Å; L973-V976 HydrophobicContact CB-CG2 3.84Å; L973-V976 HydrophobicContact CD1-CG2 4.26Å; L973-V976 PolarHBondContact O-N 3.17Å; L973-V976 VanDerWaalsContact O-N 3.1Å; L973-V977 WeakPolarHBondContact O-CG2 3.22Å; L973-V977 PolarHBondContact O-N 3.47Å | ||
| 974 | A | 88.9 | Confident | 88.5 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 59% | 0.587 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -57.1 | -41.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G972 V977 Q978 | G972-A974 VanDerWaalsContact C-N 3.33Å; G972-A974 PolarHBondContact O-N 2.7Å; A974-V977 PolarHBondContact O-N 3.41Å; A974-Q978 WeakPolarHBondContact O-CB 3.32Å; A974-Q978 PolarHBondContact O-N 3.11Å |
| 975 | S | 91.6 | Very high | 88.3 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.5 | -35.4 | -180 | -31.3 | 0 | 0 | 0 | 0 | 111.8 | E938 L973 Q978 A979 | E938-S975 WeakPolarHBondContact OE1-CB 3.3Å; E938-S975 PolarHBondContact OE1-N 3.1Å; E938-S975 PolarHBondContact OE1-OG 2.87Å; L973-S975 VanDerWaalsContact C-N 3.35Å; L973-S975 PolarHBondContact O-N 3.05Å; S975-Q978 PolarHBondContact O-N 2.84Å; S975-A979 VanDerWaalsContact O-CB 3.3Å; S975-A979 WeakPolarHBondContact O-CB 3.32Å; S975-A979 PolarHBondContact O-N 3.01Å |
| 976 | V | 89.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -45 | 174.4 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | E938 A941 L942 L945 A968 L973 Q978 A979 L980 | E938-V976 HydrophobicContact CB-CG2 4.26Å; E938-V976 HydrophobicContact CG-CG2 3.84Å; A941-V976 HydrophobicContact CB-CG1 3.98Å; A941-V976 HydrophobicContact CB-CG2 3.97Å; L942-V976 HydrophobicContact CD2-CG2 4.31Å; L942-V976 HydrophobicContact CG-CG2 4.2Å; L945-V976 HydrophobicContact CD1-CG1 3.78Å; A968-V976 HydrophobicContact CB-CB 4.41Å; A968-V976 HydrophobicContact CB-CG1 4.11Å; L973-V976 HydrophobicContact CB-CB 3.89Å; L973-V976 HydrophobicContact CB-CG2 3.84Å; L973-V976 HydrophobicContact CD1-CG2 4.26Å; L973-V976 PolarHBondContact O-N 3.17Å; L973-V976 VanDerWaalsContact O-N 3.1Å; V976-Q978 VanDerWaalsContact C-N 3.34Å; V976-Q978 PolarHBondContact O-N 3.15Å; V976-A979 PolarHBondContact O-N 3Å; V976-L980 HydrophobicContact CG1-CD1 3.97Å; V976-L980 HydrophobicContact CG1-CG 4.38Å; V976-L980 WeakPolarHBondContact O-CB 3.42Å; V976-L980 WeakPolarHBondContact O-CG 3.36Å; V976-L980 PolarHBondContact O-N 3.22Å |
| 977 | V | 89.6 | Confident | 87.8 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | L965 A968 A969 L973 A974 A979 L980 L981 | L965-V977 HydrophobicContact CD1-CB 4.44Å; L965-V977 HydrophobicContact CD1-CG1 4.02Å; L965-V977 HydrophobicContact CD1-CG2 4.41Å; A968-V977 HydrophobicContact CB-CG2 3.89Å; A969-V977 HydrophobicContact CB-CG2 4.25Å; L973-V977 WeakPolarHBondContact O-CG2 3.22Å; L973-V977 PolarHBondContact O-N 3.47Å; A974-V977 PolarHBondContact O-N 3.41Å; V977-A979 VanDerWaalsContact C-N 3.33Å; V977-A979 PolarHBondContact O-N 3.24Å; V977-L980 PolarHBondContact O-N 2.94Å; V977-L981 HydrophobicContact CG1-CD1 3.89Å; V977-L981 HydrophobicContact CG1-CG 4.42Å; V977-L981 WeakPolarHBondContact O-CB 3.33Å; V977-L981 VanDerWaalsContact O-CG 3.22Å; V977-L981 WeakPolarHBondContact O-CG 3.45Å; V977-L981 PolarHBondContact O-N 3.2Å |
| 978 | Q | 89.2 | Confident | 87.4 | Confident | 142 Ų | 142 | 58.2 Ų | 58.2 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 175.9 | -173.4 | 180 | 5.8 | 0 | 0 | 112.2 | A974 S975 V976 L981 S982 | A974-Q978 WeakPolarHBondContact O-CB 3.32Å; A974-Q978 PolarHBondContact O-N 3.11Å; S975-Q978 PolarHBondContact O-N 2.84Å; V976-Q978 VanDerWaalsContact C-N 3.34Å; V976-Q978 PolarHBondContact O-N 3.15Å; Q978-L981 PolarHBondContact O-N 2.97Å; Q978-S982 WeakPolarHBondContact O-CB 3.36Å; Q978-S982 PolarHBondContact O-N 3.25Å; Q978-S982 PolarHBondContact O-OG 3.01Å |
| 979 | A | 88.9 | Confident | 87.1 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.3 | -33.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L942 L945 S975 V976 V977 S982 R983 | L942-A979 HydrophobicContact CD2-CB 3.67Å; L945-A979 HydrophobicContact CD1-CB 4.27Å; S975-A979 VanDerWaalsContact O-CB 3.3Å; S975-A979 WeakPolarHBondContact O-CB 3.32Å; S975-A979 PolarHBondContact O-N 3.01Å; V976-A979 PolarHBondContact O-N 3Å; V977-A979 VanDerWaalsContact C-N 3.33Å; V977-A979 PolarHBondContact O-N 3.24Å; A979-S982 PolarHBondContact O-OG 2.92Å; A979-S982 VanDerWaalsContact O-OG 3.06Å; A979-R983 VanDerWaalsContact O-CG 3.31Å; A979-R983 WeakPolarHBondContact O-CG 3.41Å; A979-R983 PolarHBondContact O-N 3.4Å; A979-R983 PolarHBondContact O-NH1 3.09Å |
| 980 | L | 88.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.1 | -46.5 | 173.1 | -78.5 | 167.5 | 0 | 0 | 0 | 110.9 | L929 L945 I954 P964 L965 A968 V976 V977 R983 G984 A985 | L929-L980 HydrophobicContact CD2-CD2 4.33Å; L945-L980 HydrophobicContact CD1-CD2 4.07Å; L945-L980 HydrophobicContact CD1-CG 3.89Å; L945-L980 HydrophobicContact CD2-CD2 3.54Å; L945-L980 HydrophobicContact CD2-CG 4.27Å; L945-L980 HydrophobicContact CG-CD2 4.45Å; I954-L980 HydrophobicContact CG2-CD2 3.97Å; P964-L980 HydrophobicContact CB-CD1 4.36Å; P964-L980 HydrophobicContact CB-CD2 4.48Å; L965-L980 HydrophobicContact CB-CD1 4.2Å; L965-L980 HydrophobicContact CD1-CB 3.99Å; L965-L980 HydrophobicContact CD1-CD1 4.07Å; A968-L980 HydrophobicContact CB-CD1 4.16Å; V976-L980 HydrophobicContact CG1-CD1 3.97Å; V976-L980 HydrophobicContact CG1-CG 4.38Å; V976-L980 WeakPolarHBondContact O-CB 3.42Å; V976-L980 WeakPolarHBondContact O-CG 3.36Å; V976-L980 PolarHBondContact O-N 3.22Å; V977-L980 PolarHBondContact O-N 2.94Å; L980-R983 CarbonylContact O-C 3.55Å; L980-R983 PolarHBondContact O-N 3.45Å; L980-G984 PolarHBondContact O-N 3.13Å; L980-A985 HydrophobicContact CB-CB 3.9Å; L980-A985 WeakPolarHBondContact O-CB 3.42Å; L980-A985 PolarHBondContact O-N 3.47Å |
| 981 | L | 87.5 | Confident | 86.8 | Confident | 79 Ų | 79 | 56 Ų | 56 | 41% | 0.414 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 178.4 | -69.8 | 173.2 | 0 | 0 | 0 | 112.1 | L965 V977 Q978 R983 G984 V987 | L965-L981 HydrophobicContact CD1-CD2 4.37Å; L965-L981 HydrophobicContact CD1-CG 4.32Å; L965-L981 HydrophobicContact CD2-CD2 3.98Å; V977-L981 HydrophobicContact CG1-CD1 3.89Å; V977-L981 HydrophobicContact CG1-CG 4.42Å; V977-L981 WeakPolarHBondContact O-CB 3.33Å; V977-L981 VanDerWaalsContact O-CG 3.22Å; V977-L981 WeakPolarHBondContact O-CG 3.45Å; V977-L981 PolarHBondContact O-N 3.2Å; Q978-L981 PolarHBondContact O-N 2.97Å; L981-R983 PolarHBondContact O-N 3.43Å; L981-G984 PolarHBondContact O-N 3.07Å; L981-V987 HydrophobicContact CD2-CG1 3.29Å |
| 982 | S | 86.3 | Confident | 86.6 | Confident | 92 Ų | 92 | 59.2 Ų | 59.2 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.1 | -21.8 | 178 | 67 | 0 | 0 | 0 | 0 | 113.4 | Q978 A979 | Q978-S982 WeakPolarHBondContact O-CB 3.36Å; Q978-S982 PolarHBondContact O-N 3.25Å; Q978-S982 PolarHBondContact O-OG 3.01Å; A979-S982 PolarHBondContact O-OG 2.92Å; A979-S982 VanDerWaalsContact O-OG 3.06Å |
| 983 | R | 84.5 | Confident | 86.3 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 10.5 | 176.9 | -68.2 | 176.4 | 171.3 | 74 | -2.4 | 113.9 | L945 L951 I954 A979 L980 L981 | L945-R983 PolarHBondContact O-NE 2.84Å; L945-R983 PolarHBondContact O-NH2 3.03Å; L951-R983 WeakPolarHBondContact CD2-O 3.36Å; I954-R983 HydrophobicContact CD1-CB 3.91Å; A979-R983 VanDerWaalsContact O-CG 3.31Å; A979-R983 WeakPolarHBondContact O-CG 3.41Å; A979-R983 PolarHBondContact O-N 3.4Å; A979-R983 PolarHBondContact O-NH1 3.09Å; L980-R983 CarbonylContact O-C 3.55Å; L980-R983 PolarHBondContact O-N 3.45Å; L981-R983 PolarHBondContact O-N 3.43Å |
| 984 | G | 83.1 | Confident | 85.7 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 43% | 0.433 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 26.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L980 L981 T986 | L980-G984 PolarHBondContact O-N 3.13Å; L981-G984 PolarHBondContact O-N 3.07Å; G984-T986 PolarHBondContact O-N 3.13Å |
| 985 | A | 86.3 | Confident | 85.4 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 7% | 0.074 | 35% | 0.348 | C | S | . | . | trans | -60.9 | 133.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I954 N955 L965 L980 V987 | I954-A985 HydrophobicContact CG2-CB 3.8Å; N955-A985 WeakPolarHBondContact OD1-CA 2.85Å; L965-A985 HydrophobicContact CB-CB 4.42Å; L965-A985 HydrophobicContact CD2-CB 3.91Å; L980-A985 HydrophobicContact CB-CB 3.9Å; L980-A985 WeakPolarHBondContact O-CB 3.42Å; L980-A985 PolarHBondContact O-N 3.47Å; A985-V987 PolarHBondContact O-N 2.83Å | ||
| 986 | T | 85.2 | Confident | 85.2 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | trans | -73.4 | 126 | -176 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | N955 M963 G984 L988 A989 | N955-T986 PolarHBondContact OD1-N 3.31Å; N955-T986 PolarHBondContact OD1-OG1 3.48Å; M963-T986 WeakPolarHBondContact CE-O 3.48Å; G984-T986 PolarHBondContact O-N 3.13Å; T986-L988 HydrophobicContact CG2-CB 4.2Å; T986-A989 HydrophobicContact CG2-CB 4.45Å | ||
| 987 | V | 83 | Confident | 84.9 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -89.1 | -4.8 | 177.7 | -64.3 | 0 | 0 | 0 | 0 | 113.8 | L965 L981 A985 | L965-V987 HydrophobicContact CD2-CG1 4.32Å; L981-V987 HydrophobicContact CD2-CG1 3.29Å; A985-V987 PolarHBondContact O-N 2.83Å |
| 988 | L | 82.4 | Confident | 84.5 | Confident | 141 Ų | 141 | 61.2 Ų | 61.2 | 74% | 0.738 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -106.3 | -6.6 | -173.4 | -61.7 | 178.6 | 0 | 0 | 0 | 113.9 | T986 | T986-L988 HydrophobicContact CG2-CB 4.2Š|
| 989 | A | 83.1 | Confident | 84.2 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 22% | 0.223 | 33% | 0.332 | C | S | . | . | trans | -67.6 | 151.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | M963 H966 T986 T996 P997 | M963-A989 HydrophobicContact CE-CB 3.42Å; M963-A989 VanDerWaalsContact CE-CB 3.42Å; M963-A989 HydrophobicContact CG-CB 4.49Å; M963-A989 HydrophobicContact SD-CB 3.69Å; H966-A989 PolarHBondContact NE2-O 3.18Å; T986-A989 HydrophobicContact CG2-CB 4.45Å; A989-T996 WeakPolarHBondContact O-CA 3.46Å; A989-P997 WeakPolarHBondContact O-CD 3.41Å | ||
| 990 | V | 83.7 | Confident | 83.8 | Confident | 76 Ų | 76 | 55.4 Ų | 55.4 | 46% | 0.461 | 33% | 0.331 | S | S | . | . | trans | -119.1 | 142.7 | 178.1 | -66.9 | 0 | 0 | 0 | 0 | 109.5 | G994 H995 T996 | V990-G994 WeakPolarHBondContact CG1-O 3.49Å; V990-H995 WeakPolarHBondContact CA-O 3.29Å; V990-T996 HydrophobicContact CG1-CG2 4.14Å | ||
| 991 | D | 85.6 | Confident | 83.4 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.07 | 35% | 0.353 | C | S | . | . | trans | -77.3 | -177.7 | 170.7 | 67.3 | 7.2 | 0 | 0 | 0 | 112.1 | Q962 E993 G994 H995 | Q962-D991 HydrophobicContact CG-CB 3.7Å; D991-E993 PolarHBondContact O-N 2.95Å; D991-E993 VanDerWaalsContact O-N 3.14Å; D991-E993 PolarHBondContact OD1-N 2.84Å; D991-E993 VanDerWaalsContact OD1-N 3.09Å; D991-G994 PolarHBondContact O-N 2.98Å; D991-G994 PolarHBondContact OD1-N 3.2Å; D991-H995 PolarHBondContact N-O 3.42Å; D991-H995 VanDerWaalsContact N-O 3.11Å; D991-H995 WeakPolarHBondContact OD1-CB 3.46Å; D991-H995 IonicContact OD1-CG 3.82Å; D991-H995 PolarHBondContact OD1-N 3.39Å; D991-H995 IonicContact OD1-ND1 3.38Å | ||
| 992 | E | 84.3 | Confident | 83.1 | Confident | 139 Ų | 139 | 55.4 Ų | 55.4 | 65% | 0.65 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.1 | 177.4 | -173.3 | 175.7 | -172.6 | 0 | 0 | 113.5 | A960 G994 | A960-E992 WeakPolarHBondContact O-CB 3.32Å; A960-E992 PolarHBondContact O-N 3.25Å; E992-G994 VanDerWaalsContact C-N 3.34Å |
| 993 | E | 80 | Confident | 82.6 | Confident | 104 Ų | 104 | 56 Ų | 56 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3 | 178.4 | -66.6 | -63.2 | 154.3 | 0 | 0 | 113.4 | D991 H995 K1005 | D991-E993 PolarHBondContact O-N 2.95Å; D991-E993 VanDerWaalsContact O-N 3.14Å; D991-E993 PolarHBondContact OD1-N 2.84Å; D991-E993 VanDerWaalsContact OD1-N 3.09Å; E993-H995 WeakPolarHBondContact CB-ND1 3.42Å; E993-K1005 IonicContact OE2-NZ 3.11Å; E993-K1005 PolarHBondContact OE2-NZ 3.24Å |
| 994 | G | 78.9 | Confident | 82.5 | Confident | 44 Ų | 44 | 55.4 Ų | 55.4 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 84 | 9.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | V990 D991 E992 | V990-G994 WeakPolarHBondContact CG1-O 3.49Å; D991-G994 PolarHBondContact O-N 2.98Å; D991-G994 PolarHBondContact OD1-N 3.2Å; E992-G994 VanDerWaalsContact C-N 3.34Å |
| 995 | H | 82.9 | Confident | 82.4 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 10% | 0.097 | 34% | 0.343 | C | S | . | . | trans | -85.5 | 131.8 | -178.1 | -59 | 130.4 | 0 | 0 | 0 | 111.3 | H966 V990 D991 E993 L999 A1008 | H966-H995 PolarHBondContact NE2-O 3.41Å; V990-H995 WeakPolarHBondContact CA-O 3.29Å; D991-H995 PolarHBondContact N-O 3.42Å; D991-H995 VanDerWaalsContact N-O 3.11Å; D991-H995 WeakPolarHBondContact OD1-CB 3.46Å; D991-H995 IonicContact OD1-CG 3.82Å; D991-H995 PolarHBondContact OD1-N 3.39Å; D991-H995 IonicContact OD1-ND1 3.38Å; E993-H995 WeakPolarHBondContact CB-ND1 3.42Å; H995-L999 HydrophobicContact CB-CB 3.96Å; H995-A1008 WeakPolarHBondContact NE2-CB 3.47Å | ||
| 996 | T | 85.4 | Confident | 82.1 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | trans | -69.4 | 162.2 | 164.1 | 60 | 0 | 0 | 0 | 0 | 110.2 | A989 V990 A998 L999 A1000 | A989-T996 WeakPolarHBondContact O-CA 3.46Å; V990-T996 HydrophobicContact CG1-CG2 4.14Å; T996-A998 PolarHBondContact O-N 2.69Å; T996-L999 WeakPolarHBondContact O-CA 3.4Å; T996-L999 PolarHBondContact O-N 3.39Å; T996-L999 WeakPolarHBondContact OG1-CG 3.4Å; T996-A1000 PolarHBondContact O-N 3.43Å | ||
| 997 | P | 83.9 | Confident | 81.9 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.3 | 178.9 | -24.2 | 31.6 | 0 | 0 | 0 | 114.1 | M963 L965 H966 A969 A989 | M963-P997 HydrophobicContact CE-CG 4.31Å; L965-P997 HydrophobicContact CB-CB 4.47Å; L965-P997 HydrophobicContact CB-CG 4.45Å; L965-P997 HydrophobicContact CD2-CB 3.93Å; L965-P997 HydrophobicContact CD2-CG 3.79Å; L965-P997 HydrophobicContact CG-CB 3.75Å; L965-P997 HydrophobicContact CG-CG 4.01Å; H966-P997 WeakPolarHBondContact NE2-CD 3.4Å; A969-P997 WeakPolarHBondContact CB-O 3.32Å; A989-P997 WeakPolarHBondContact O-CD 3.41Å |
| 998 | A | 81.4 | Confident | 81.8 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 53% | 0.529 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -34.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T996 | T996-A998 PolarHBondContact O-N 2.69Š|
| 999 | L | 83.3 | Confident | 81.7 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -27.8 | 176.9 | -63.2 | 176.9 | 0 | 0 | 0 | 111.8 | H995 T996 C1001 A1002 A1008 L1011 A1012 L1015 | H995-L999 HydrophobicContact CB-CB 3.96Å; T996-L999 WeakPolarHBondContact O-CA 3.4Å; T996-L999 PolarHBondContact O-N 3.39Å; T996-L999 WeakPolarHBondContact OG1-CG 3.4Å; L999-C1001 PolarHBondContact O-N 3.35Å; L999-C1001 VanDerWaalsContact O-N 3.13Å; L999-A1002 VanDerWaalsContact O-CB 3.24Å; L999-A1002 WeakPolarHBondContact O-CB 3.3Å; L999-A1002 PolarHBondContact O-N 2.8Å; L999-A1008 HydrophobicContact CB-CB 4.49Å; L999-L1011 HydrophobicContact CD2-CB 4.02Å; L999-A1012 HydrophobicContact CD1-CB 3.88Å; L999-A1012 HydrophobicContact CD2-CB 3.81Å; L999-L1015 HydrophobicContact CD2-CD1 4.16Å |
| 1000 | A | 80.3 | Confident | 81.5 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H966 R970 T996 A1002 | H966-A1000 HydrophobicContact CB-CB 4.33Å; R970-A1000 VanDerWaalsContact CB-O 3.3Å; R970-A1000 WeakPolarHBondContact CB-O 3.13Å; R970-A1000 WeakPolarHBondContact CG-O 3.35Å; T996-A1000 PolarHBondContact O-N 3.43Å; A1000-A1002 PolarHBondContact O-N 3.23Å |
| 1001 | C | 80.2 | Confident | 81.3 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.2 | 169.1 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | L999 | L999-C1001 PolarHBondContact O-N 3.35Å; L999-C1001 VanDerWaalsContact O-N 3.13Å |
| 1002 | A | 82 | Confident | 80.9 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -72 | 139 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L999 A1000 N1004 V1007 A1008 L1011 | L999-A1002 VanDerWaalsContact O-CB 3.24Å; L999-A1002 WeakPolarHBondContact O-CB 3.3Å; L999-A1002 PolarHBondContact O-N 2.8Å; A1000-A1002 PolarHBondContact O-N 3.23Å; A1002-N1004 VanDerWaalsContact C-N 3.25Å; A1002-N1004 PolarHBondContact O-N 2.88Å; A1002-V1007 HydrophobicContact CB-CB 4.15Å; A1002-V1007 HydrophobicContact CB-CG1 3.99Å; A1002-A1008 HydrophobicContact CB-CB 3.62Å; A1002-L1011 HydrophobicContact CB-CD1 4.02Å |
| 1003 | P | 76.3 | Confident | 80.6 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 68% | 0.682 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -68.7 | -22.6 | -178.2 | 27.2 | -34.9 | 0 | 0 | 0 | 113.5 | V1007 | P1003-V1007 HydrophobicContact CG-CB 4.43Å; P1003-V1007 HydrophobicContact CG-CG1 4.44Å; P1003-V1007 HydrophobicContact CG-CG2 4.36Å |
| 1004 | N | 81.9 | Confident | 80.4 | Confident | 82 Ų | 82 | 57.1 Ų | 57.1 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -150.6 | 169 | 175.7 | 64.4 | 32.3 | 0 | 0 | 0 | 110.9 | A1002 D1006 V1007 A1008 | A1002-N1004 VanDerWaalsContact C-N 3.25Å; A1002-N1004 PolarHBondContact O-N 2.88Å; N1004-D1006 PolarHBondContact O-N 3.37Å; N1004-D1006 PolarHBondContact OD1-N 3.24Å; N1004-V1007 PolarHBondContact O-N 3.07Å; N1004-V1007 WeakPolarHBondContact OD1-CB 3.35Å; N1004-V1007 WeakPolarHBondContact OD1-CG2 3.29Å; N1004-V1007 PolarHBondContact OD1-N 3.24Å; N1004-A1008 PolarHBondContact O-N 3.33Å; N1004-A1008 VanDerWaalsContact O-N 3.08Å |
| 1005 | K | 79.8 | Confident | 80.2 | Confident | 98 Ų | 98 | 59.4 Ų | 59.4 | 43% | 0.426 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | -177.7 | -170.5 | 169.4 | -168.5 | 148.6 | 0 | 113 | E993 V1007 A1008 D1009 | E993-K1005 IonicContact OE2-NZ 3.11Å; E993-K1005 PolarHBondContact OE2-NZ 3.24Å; K1005-V1007 VanDerWaalsContact C-N 3.31Å; K1005-V1007 PolarHBondContact O-N 3.46Å; K1005-A1008 WeakPolarHBondContact O-CA 3.49Å; K1005-A1008 VanDerWaalsContact O-CB 3.32Å; K1005-A1008 WeakPolarHBondContact O-CB 3.35Å; K1005-A1008 PolarHBondContact O-N 3.49Å; K1005-D1009 PolarHBondContact O-N 3.43Å |
| 1006 | D | 80.5 | Confident | 79.6 | Confident | 116 Ų | 116 | 62.1 Ų | 62.1 | 62% | 0.62 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | -179.1 | -55.6 | -44.1 | 0 | 0 | 0 | 112.1 | N1004 C1010 | N1004-D1006 PolarHBondContact O-N 3.37Å; N1004-D1006 PolarHBondContact OD1-N 3.24Å; D1006-C1010 PolarHBondContact O-N 3.38Å; D1006-C1010 PolarHBondContact O-SG 2.93Å |
| 1007 | V | 81.3 | Confident | 78.6 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 35% | 0.345 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.5 | -35.1 | 175.7 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | A1002 P1003 N1004 K1005 C1010 L1011 | A1002-V1007 HydrophobicContact CB-CB 4.15Å; A1002-V1007 HydrophobicContact CB-CG1 3.99Å; P1003-V1007 HydrophobicContact CG-CB 4.43Å; P1003-V1007 HydrophobicContact CG-CG1 4.44Å; P1003-V1007 HydrophobicContact CG-CG2 4.36Å; N1004-V1007 PolarHBondContact O-N 3.07Å; N1004-V1007 WeakPolarHBondContact OD1-CB 3.35Å; N1004-V1007 WeakPolarHBondContact OD1-CG2 3.29Å; N1004-V1007 PolarHBondContact OD1-N 3.24Å; K1005-V1007 VanDerWaalsContact C-N 3.31Å; K1005-V1007 PolarHBondContact O-N 3.46Å; V1007-C1010 PolarHBondContact O-N 3.35Å; V1007-L1011 HydrophobicContact CG1-CD1 4.1Å; V1007-L1011 WeakPolarHBondContact O-CB 3.37Å; V1007-L1011 WeakPolarHBondContact O-CG 3.28Å; V1007-L1011 PolarHBondContact O-N 2.89Å |
| 1008 | A | 81.2 | Confident | 77.5 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.008 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H995 L999 A1002 N1004 K1005 C1010 L1011 A1012 | H995-A1008 WeakPolarHBondContact NE2-CB 3.47Å; L999-A1008 HydrophobicContact CB-CB 4.49Å; A1002-A1008 HydrophobicContact CB-CB 3.62Å; N1004-A1008 PolarHBondContact O-N 3.33Å; N1004-A1008 VanDerWaalsContact O-N 3.08Å; K1005-A1008 WeakPolarHBondContact O-CA 3.49Å; K1005-A1008 VanDerWaalsContact O-CB 3.32Å; K1005-A1008 WeakPolarHBondContact O-CB 3.35Å; K1005-A1008 PolarHBondContact O-N 3.49Å; A1008-C1010 PolarHBondContact O-N 3Å; A1008-L1011 PolarHBondContact O-N 2.69Å; A1008-A1012 WeakPolarHBondContact O-CB 3.23Å; A1008-A1012 PolarHBondContact O-N 2.92Å |
| 1009 | D | 79.6 | Confident | 76.1 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 43% | 0.433 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 176.8 | -72.4 | -24.3 | 0 | 0 | 0 | 111.5 | K1005 A1012 L1013 | K1005-D1009 PolarHBondContact O-N 3.43Å; D1009-A1012 PolarHBondContact O-N 3.08Å; D1009-L1013 WeakPolarHBondContact O-CG 3.33Å; D1009-L1013 PolarHBondContact O-N 3.2Å |
| 1010 | C | 78.4 | Confident | 74.1 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 49% | 0.486 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 172.8 | -68.5 | 0 | 0 | 0 | 0 | 112.1 | D1006 V1007 A1008 L1013 I1014 | D1006-C1010 PolarHBondContact O-N 3.38Å; D1006-C1010 PolarHBondContact O-SG 2.93Å; V1007-C1010 PolarHBondContact O-N 3.35Å; A1008-C1010 PolarHBondContact O-N 3Å; C1010-L1013 PolarHBondContact O-N 3.47Å; C1010-I1014 WeakPolarHBondContact O-CG1 3.43Å; C1010-I1014 PolarHBondContact O-N 2.94Å |
| 1011 | L | 80.9 | Confident | 72.1 | Confident | 64 Ų | 64 | 87.6 Ų | 87.6 | 34% | 0.335 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 177 | -81.9 | 162.9 | 0 | 0 | 0 | 112.1 | L999 A1002 V1007 A1008 L1013 I1014 L1015 | L999-L1011 HydrophobicContact CD2-CB 4.02Å; A1002-L1011 HydrophobicContact CB-CD1 4.02Å; V1007-L1011 HydrophobicContact CG1-CD1 4.1Å; V1007-L1011 WeakPolarHBondContact O-CB 3.37Å; V1007-L1011 WeakPolarHBondContact O-CG 3.28Å; V1007-L1011 PolarHBondContact O-N 2.89Å; A1008-L1011 PolarHBondContact O-N 2.69Å; L1011-L1013 VanDerWaalsContact C-N 3.35Å; L1011-I1014 PolarHBondContact O-N 3.13Å; L1011-L1015 WeakPolarHBondContact O-CB 3.22Å; L1011-L1015 VanDerWaalsContact O-CG 3.31Å; L1011-L1015 WeakPolarHBondContact O-CG 3.34Å; L1011-L1015 PolarHBondContact O-N 2.97Å |
| 1012 | A | 76.5 | Confident | 70.8 | Confident | 34 Ų | 34 | 89.3 Ų | 89.3 | 28% | 0.281 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L999 A1008 D1009 L1015 S1016 | L999-A1012 HydrophobicContact CD1-CB 3.88Å; L999-A1012 HydrophobicContact CD2-CB 3.81Å; A1008-A1012 WeakPolarHBondContact O-CB 3.23Å; A1008-A1012 PolarHBondContact O-N 2.92Å; D1009-A1012 PolarHBondContact O-N 3.08Å; A1012-L1015 PolarHBondContact O-N 2.76Å; A1012-S1016 VanDerWaalsContact O-CB 3.27Å; A1012-S1016 WeakPolarHBondContact O-CB 3.48Å; A1012-S1016 PolarHBondContact O-N 3.43Å; A1012-S1016 PolarHBondContact O-OG 3.14Å |
| 1013 | L | 77.8 | Confident | 69.3 | Low | 120 Ų | 120 | 94 Ų | 94 | 63% | 0.628 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.3 | -48.5 | 173.8 | -72.4 | 167.4 | 0 | 0 | 0 | 111.4 | D1009 C1010 L1011 S1016 T1017 | D1009-L1013 WeakPolarHBondContact O-CG 3.33Å; D1009-L1013 PolarHBondContact O-N 3.2Å; C1010-L1013 PolarHBondContact O-N 3.47Å; L1011-L1013 VanDerWaalsContact C-N 3.35Å; L1013-S1016 PolarHBondContact O-N 3.49Å; L1013-S1016 PolarHBondContact O-OG 3.26Å; L1013-T1017 WeakPolarHBondContact O-CG2 3.32Å; L1013-T1017 PolarHBondContact O-N 3.08Å |
| 1014 | I | 76.3 | Confident | 67.3 | Low | 87 Ų | 87 | 97.8 Ų | 97.8 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -50.2 | 178.1 | -66.1 | 165.3 | 0 | 0 | 0 | 110.8 | C1010 L1011 S1016 T1017 M1018 | C1010-I1014 WeakPolarHBondContact O-CG1 3.43Å; C1010-I1014 PolarHBondContact O-N 2.94Å; L1011-I1014 PolarHBondContact O-N 3.13Å; I1014-S1016 VanDerWaalsContact C-N 3.29Å; I1014-S1016 PolarHBondContact O-N 3.27Å; I1014-T1017 PolarHBondContact O-N 3.3Å; I1014-T1017 VanDerWaalsContact O-N 3.13Å; I1014-T1017 PolarHBondContact O-OG1 2.86Å; I1014-M1018 HydrophobicContact CG2-CE 4.03Å; I1014-M1018 PolarHBondContact O-N 3.34Å |
| 1015 | L | 74.4 | Confident | 64.7 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 48% | 0.482 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.3 | -34.1 | 179.9 | -71.9 | 170.9 | 0 | 0 | 0 | 112.5 | L999 L1011 A1012 T1017 M1018 | L999-L1015 HydrophobicContact CD2-CD1 4.16Å; L1011-L1015 WeakPolarHBondContact O-CB 3.22Å; L1011-L1015 VanDerWaalsContact O-CG 3.31Å; L1011-L1015 WeakPolarHBondContact O-CG 3.34Å; L1011-L1015 PolarHBondContact O-N 2.97Å; A1012-L1015 PolarHBondContact O-N 2.76Å; L1015-T1017 VanDerWaalsContact C-N 3.28Å; L1015-T1017 PolarHBondContact O-N 2.8Å; L1015-M1018 PolarHBondContact O-N 3.09Å |
| 1016 | S | 70.1 | Confident | 62.4 | Low | 78 Ų | 78 | 100.5 Ų | 100.5 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.3 | -29.1 | 176.2 | 77.4 | 0 | 0 | 0 | 0 | 113.2 | A1012 L1013 I1014 | A1012-S1016 VanDerWaalsContact O-CB 3.27Å; A1012-S1016 WeakPolarHBondContact O-CB 3.48Å; A1012-S1016 PolarHBondContact O-N 3.43Å; A1012-S1016 PolarHBondContact O-OG 3.14Å; L1013-S1016 PolarHBondContact O-N 3.49Å; L1013-S1016 PolarHBondContact O-OG 3.26Å; I1014-S1016 VanDerWaalsContact C-N 3.29Å; I1014-S1016 PolarHBondContact O-N 3.27Å |
| 1017 | T | 65.6 | Low | 60 | Low | 111 Ų | 111 | 101.1 Ų | 101.1 | 68% | 0.681 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -85.6 | -17.9 | 177.8 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | L1013 I1014 L1015 K1019 | L1013-T1017 WeakPolarHBondContact O-CG2 3.32Å; L1013-T1017 PolarHBondContact O-N 3.08Å; I1014-T1017 PolarHBondContact O-N 3.3Å; I1014-T1017 VanDerWaalsContact O-N 3.13Å; I1014-T1017 PolarHBondContact O-OG1 2.86Å; L1015-T1017 VanDerWaalsContact C-N 3.28Å; L1015-T1017 PolarHBondContact O-N 2.8Å; T1017-K1019 VanDerWaalsContact C-N 3.27Å; T1017-K1019 PolarHBondContact O-N 3.39Å |
| 1018 | M | 60.8 | Low | 57.7 | Low | 139 Ų | 139 | 103.3 Ų | 103.3 | 69% | 0.685 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 6 | 179.5 | -73.5 | -152.9 | 178.7 | 0 | 0 | 115.2 | I1014 L1015 P1020 | I1014-M1018 HydrophobicContact CG2-CE 4.03Å; I1014-M1018 PolarHBondContact O-N 3.34Å; L1015-M1018 PolarHBondContact O-N 3.09Å; M1018-P1020 WeakPolarHBondContact O-CD 3.38Å |
| 1019 | K | 50.1 | Low | 55.8 | Low | 141 Ų | 141 | 108 Ų | 108 | 61% | 0.613 | 62% | 0.618 | S | S | * | * | trans | -84.9 | 131.8 | 173 | -91.8 | -176.2 | 173.8 | 178.8 | 0 | 112.9 | T1017 F1021 | T1017-K1019 VanDerWaalsContact C-N 3.27Å; T1017-K1019 PolarHBondContact O-N 3.39Å; K1019-F1021 HydrophobicContact CD-CD2 3.9Å; K1019-F1021 HydrophobicContact CD-CE2 3.63Å; K1019-F1021 HydrophobicContact CD-CZ 4.36Å; K1019-F1021 VanDerWaalsContact NZ-CE2 3.3Å | ||
| 1020 | P | 42.7 | Very low | 53.4 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 79% | 0.792 | 64% | 0.639 | S | S | * | * | trans | -109.9 | 145.5 | 135.2 | 30.8 | -19.7 | 0 | 0 | 0 | 110.6 | M1018 | M1018-P1020 WeakPolarHBondContact O-CD 3.38Š| ||
| 1021 | F | 36.8 | Very low | 50.9 | Low | 160 Ų | 160 | 114.8 Ų | 114.8 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | trans | -112.8 | 175.8 | -173.4 | -116.2 | -47.5 | 0 | 0 | 0 | 110.5 | K1019 | K1019-F1021 HydrophobicContact CD-CD2 3.9Å; K1019-F1021 HydrophobicContact CD-CE2 3.63Å; K1019-F1021 HydrophobicContact CD-CZ 4.36Å; K1019-F1021 VanDerWaalsContact NZ-CE2 3.3Å | ||
| 1022 | P | 54.8 | Low | 48.4 | Very low | 105 Ų | 105 | 121 Ų | 121 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | -100.9 | -157 | -129.8 | 42.9 | -26.4 | 0 | 0 | 0 | 112.8 | |||||
| 1023 | P | 49.8 | Very low | 46.1 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 71% | 0.714 | 69% | 0.694 | S | S | * | * | cis | -149.5 | -175.3 | 11.1 | 44.5 | -22 | 0 | 0 | 0 | 119.6 | ||||
| 1024 | K | 32.9 | Very low | 43.8 | Very low | 184 Ų | 184 | 125.9 Ų | 125.9 | 80% | 0.8 | 70% | 0.702 | S | S | * | * | trans | 92.8 | 135.1 | 148.2 | -81 | 179.6 | -177.4 | -176.9 | 0 | 121.7 | ||||
| 1025 | D | 27.8 | Very low | 41.5 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | 87.1 | 97.3 | 159.5 | -54.7 | -18.9 | 0 | 0 | 0 | 119.7 | ||||
| 1026 | A | 31.6 | Very low | 39.3 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | trans | 62.8 | 109.8 | 130.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1027 | V | 30.8 | Very low | 37.2 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 70.8 | 94.9 | 136.4 | -168.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1028 | S | 31.9 | Very low | 35.3 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 44.5 | 165.4 | 130.8 | 78.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1029 | P | 41.3 | Very low | 33.7 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | -133.1 | 171.1 | -46.7 | 37.1 | -20.7 | 0 | 0 | 0 | 114 | ||||
| 1030 | F | 29.3 | Very low | 32.7 | Very low | 199 Ų | 199 | 139.8 Ų | 139.8 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | trans | 64.2 | 114.7 | 160.4 | -70.8 | -73.8 | 0 | 0 | 0 | 120.3 | ||||
| 1031 | S | 26.1 | Very low | 31.9 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | -179.8 | 141.9 | 106.5 | 46.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1032 | F | 28 | Very low | 31.5 | Very low | 193 Ų | 193 | 136 Ų | 136 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | -165.7 | 115.3 | 129 | -105.3 | -70.8 | 0 | 0 | 0 | 110.2 | |||||
| 1033 | S | 28.7 | Very low | 30.3 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -71 | 119.3 | 158.7 | 48.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1034 | L | 29.3 | Very low | 29.1 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | trans | -151.5 | 113.5 | 155.6 | -136 | 108 | 0 | 0 | 0 | 108.9 | ||||
| 1035 | L | 28.1 | Very low | 28.7 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | 144.6 | 85.2 | 156 | -77.9 | 160.3 | 0 | 0 | 0 | 110.3 | ||||
| 1036 | K | 27.8 | Very low | 28.5 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | -94 | 137.7 | 152 | -124.1 | 177.8 | -176.9 | 178.6 | 0 | 106.7 | ||||
| 1037 | N | 26.5 | Very low | 28.2 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | 102.9 | 85.8 | 162 | -52.8 | -8.7 | 0 | 0 | 0 | 116.8 | ||||
| 1038 | C | 26.7 | Very low | 27.8 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | -121.4 | 102 | 146.2 | -80.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1039 | S | 25.6 | Very low | 27.2 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -85.7 | 125.7 | 160.5 | 36.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1040 | I | 29.6 | Very low | 26.3 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -68.9 | 127.1 | -178.3 | -67 | 159.9 | 0 | 0 | 0 | 109.9 | ||||
| 1041 | A | 25.9 | Very low | 26 | Very low | 103 Ų | 103 | 131 Ų | 131 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -133.6 | 112.2 | 163 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1042 | A | 29 | Very low | 25.9 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -106.6 | 126.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1043 | A | 28.8 | Very low | 26 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -77 | 145 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1044 | K | 25.5 | Very low | 25.7 | Very low | 207 Ų | 207 | 133.2 Ų | 133.2 | 90% | 0.9 | 84% | 0.837 | S | S | * | * | trans | -123 | 119.6 | 160.9 | -92.6 | -176.1 | 175.3 | 178.8 | 0 | 108.2 | ||||
| 1045 | T | 23.4 | Very low | 25.4 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 83% | 0.828 | 83% | 0.833 | S | S | * | * | trans | -176.6 | 139.5 | 151.7 | 45.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1046 | V | 25.4 | Very low | 25.1 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | -170.5 | 147.4 | 60.5 | 168.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1047 | G | 23.8 | Very low | 24.9 | Very low | 77 Ų | 77 | 121.1 Ų | 121.1 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 82.1 | 135.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1048 | G | 22.1 | Very low | 24.6 | Very low | 73 Ų | 73 | 119.8 Ų | 119.8 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | cis | 130.1 | 115.7 | 12.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1049 | C | 20.9 | Very low | 24.7 | Very low | 144 Ų | 144 | 118.3 Ų | 118.3 | 97% | 0.973 | 81% | 0.811 | S | S | * | * | trans | 83.8 | 125.3 | 163.6 | -61.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1050 | G | 21.9 | Very low | 24.6 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | 126.5 | 105.5 | 129.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1051 | A | 23 | Very low | 24.3 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | trans | 82.4 | 116.3 | 140 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1052 | L | 23.2 | Very low | 24.2 | Very low | 150 Ų | 150 | 123 Ų | 123 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -51.7 | 167.1 | 145.2 | -77.4 | 165.1 | 0 | 0 | 0 | 112 | ||||
| 1053 | P | 30.5 | Very low | 24 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | cis | -148.8 | 161.5 | 38.5 | 38.5 | -15.6 | 0 | 0 | 0 | 120.3 | ||||
| 1054 | H | 23 | Very low | 23.8 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 27.9 | 134.8 | 144.9 | -71.5 | -63.7 | 0 | 0 | 0 | 122.7 | ||||
| 1055 | G | 22.6 | Very low | 23.9 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 177.5 | 92.1 | 145 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1056 | A | 22.7 | Very low | 23.9 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 61 | 119.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1057 | S | 21.9 | Very low | 23.8 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | 123.1 | 147.8 | 52.2 | 55.4 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1058 | C | 22.1 | Very low | 24.1 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | 103.9 | 147.3 | 171.1 | -78.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1059 | P | 28 | Very low | 24.4 | Very low | 104 Ų | 104 | 120.3 Ų | 120.3 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | -132.8 | 170.6 | -65.5 | 24 | -1.9 | 0 | 0 | 0 | 110.7 | S1061 | P1059-S1061 PolarHBondContact O-N 3.13Š| |||
| 1060 | Y | 24 | Very low | 25.1 | Very low | 214 Ų | 214 | 115.7 Ų | 115.7 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | trans | 14 | 96.6 | 153 | -79.6 | -90.2 | 0 | 0 | 0 | 117.8 | Q1062 | Y1060-Q1062 HydrophobicContact CD1-CG 4.41Š| ||
| 1061 | S | 22.3 | Very low | 25.4 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | trans | -92.9 | 93 | 149.6 | 47.8 | 0 | 0 | 0 | 0 | 108.4 | P1059 E1063 | P1059-S1061 PolarHBondContact O-N 3.13Å; S1061-E1063 PolarHBondContact O-N 3.33Å | ||
| 1062 | Q | 25.1 | Very low | 25.7 | Very low | 160 Ų | 160 | 117.8 Ų | 117.8 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -68 | 102.2 | 163 | -77.3 | -179.2 | -14.4 | 0 | 0 | 108.5 | Y1060 | Y1060-Q1062 HydrophobicContact CD1-CG 4.41Š| ||
| 1063 | E | 24.6 | Very low | 26 | Very low | 186 Ų | 186 | 112.2 Ų | 112.2 | 87% | 0.869 | 68% | 0.679 | S | S | * | * | trans | -96.4 | 111.2 | 156.4 | -75.2 | -166.4 | 164.4 | 0 | 0 | 109 | S1061 | S1061-E1063 PolarHBondContact O-N 3.33Š| ||
| 1064 | R | 24.7 | Very low | 26.1 | Very low | 205 Ų | 205 | 113.1 Ų | 113.1 | 77% | 0.774 | 67% | 0.669 | S | S | * | * | trans | -63.6 | 137.8 | 177.1 | -64.6 | 174.1 | 177.4 | 178.7 | -2.3 | 110.2 | G1066 | R1064-G1066 PolarHBondContact O-N 3.07Š| ||
| 1065 | P | 27.1 | Very low | 26.2 | Very low | 127 Ų | 127 | 109.7 Ų | 109.7 | 83% | 0.825 | 67% | 0.665 | S | S | * | * | trans | -70.4 | 112 | 143.5 | 16.5 | -4.6 | 0 | 0 | 0 | 106.7 | A1067 | P1065-A1067 PolarHBondContact O-N 3.5Å; P1065-A1067 VanDerWaalsContact O-N 3.11Å | ||
| 1066 | G | 23.9 | Very low | 26.3 | Very low | 48 Ų | 48 | 119 Ų | 119 | 50% | 0.495 | 69% | 0.689 | S | S | . | * | trans | -50.7 | 121 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1064 I1068 | R1064-G1066 PolarHBondContact O-N 3.07Å; G1066-I1068 PolarHBondContact O-N 3.35Å | ||
| 1067 | A | 23.5 | Very low | 26.5 | Very low | 58 Ų | 58 | 120.4 Ų | 120.4 | 48% | 0.479 | 69% | 0.686 | S | S | . | * | trans | -40.7 | 135 | 159 | 0 | 0 | 0 | 0 | 0 | 108.6 | T509 P1065 G1069 | T509-A1067 HydrophobicContact CG2-CB 3.24Å; P1065-A1067 PolarHBondContact O-N 3.5Å; P1065-A1067 VanDerWaalsContact O-N 3.11Å; A1067-G1069 VanDerWaalsContact C-N 3.33Å; A1067-G1069 PolarHBondContact O-N 3.47Å | ||
| 1068 | I | 29.2 | Very low | 26.7 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 45% | 0.451 | 68% | 0.683 | S | S | . | * | trans | -56.4 | 104.5 | 170.1 | -65.3 | 171.7 | 0 | 0 | 0 | 105.9 | G1066 L1070 | G1066-I1068 PolarHBondContact O-N 3.35Å; I1068-L1070 HydrophobicContact CG2-CB 3.56Å; I1068-L1070 HydrophobicContact CG2-CD1 3.28Å; I1068-L1070 HydrophobicContact CG2-CG 3.36Å; I1068-L1070 PolarHBondContact O-N 2.93Å | ||
| 1069 | G | 28.7 | Very low | 27 | Very low | 63 Ų | 63 | 121.2 Ų | 121.2 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 69.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | A1067 | A1067-G1069 VanDerWaalsContact C-N 3.33Å; A1067-G1069 PolarHBondContact O-N 3.47Å |
| 1070 | L | 35.8 | Very low | 26.9 | Very low | 47 Ų | 47 | 122.2 Ų | 122.2 | 25% | 0.246 | 68% | 0.676 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -123.9 | -14.4 | 168.3 | -64.1 | 169.9 | 0 | 0 | 0 | 112.1 | Y248 I1068 C1073 | Y248-L1070 HydrophobicContact CD1-CD1 4.22Å; Y248-L1070 HydrophobicContact CD1-CD2 4.46Å; Y248-L1070 HydrophobicContact CD2-CD1 3.89Å; Y248-L1070 HydrophobicContact CE1-CB 3.89Å; Y248-L1070 HydrophobicContact CE1-CD1 3.77Å; Y248-L1070 HydrophobicContact CE1-CD2 4.15Å; Y248-L1070 HydrophobicContact CE1-CG 4.14Å; Y248-L1070 HydrophobicContact CE2-CD1 3.39Å; Y248-L1070 HydrophobicContact CG-CD1 4.28Å; Y248-L1070 VanDerWaalsContact OH-CB 3.25Å; Y248-L1070 WeakPolarHBondContact OH-CB 3.31Å; I1068-L1070 HydrophobicContact CG2-CB 3.56Å; I1068-L1070 HydrophobicContact CG2-CD1 3.28Å; I1068-L1070 HydrophobicContact CG2-CG 3.36Å; I1068-L1070 PolarHBondContact O-N 2.93Å; L1070-C1073 PolarHBondContact O-N 3.14Å |
| 1071 | D | 27 | Very low | 27.1 | Very low | 156 Ų | 156 | 116.4 Ų | 116.4 | 83% | 0.834 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -3.8 | 173.9 | -71.8 | -19.8 | 0 | 0 | 0 | 114.3 | C1073 | D1071-C1073 VanDerWaalsContact C-N 3.28Š|
| 1072 | G | 29.2 | Very low | 27.4 | Very low | 72 Ų | 72 | 116.5 Ų | 116.5 | 74% | 0.742 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 9.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1073 | C | 30.7 | Very low | 27.6 | Very low | 33 Ų | 33 | 113.4 Ų | 113.4 | 22% | 0.223 | 65% | 0.65 | C | S | . | * | S | Bend | trans | -112.9 | 119.2 | -178.9 | -60.9 | 0 | 0 | 0 | 0 | 108.1 | L1070 D1071 | L1070-C1073 PolarHBondContact O-N 3.14Å; D1071-C1073 VanDerWaalsContact C-N 3.28Å |
| 1074 | Y | 32.1 | Very low | 27.8 | Very low | 130 Ų | 130 | 107.8 Ų | 107.8 | 51% | 0.51 | 63% | 0.633 | S | S | . | * | S | Bend | trans | 91.1 | 29.6 | 169.4 | -43.4 | -72.2 | 0 | 0 | 0 | 119.4 | F182 A215 L249 | F182-Y1074 HydrophobicContact CE2-CE1 4.03Å; F182-Y1074 HydrophobicContact CZ-CE1 4.27Å; A215-Y1074 WeakPolarHBondContact CB-OH 3.28Å; L249-Y1074 HydrophobicContact CD1-CE2 4.2Å; L249-Y1074 HydrophobicContact CD2-CE2 4.11Å |
| 1075 | S | 24.7 | Very low | 28.1 | Very low | 110 Ų | 110 | 99.7 Ų | 99.7 | 77% | 0.769 | 62% | 0.621 | S | S | * | * | trans | -115.3 | 90.3 | 151.6 | 68.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1076 | E | 24.8 | Very low | 28.1 | Very low | 264 Ų | 264 | 97.2 Ų | 97.2 | 100% | 1.234 | 60% | 0.603 | S | S | * | * | trans | -162.2 | 0 | 141.8 | -105.2 | -172.7 | -177.7 | 0 | 0 | 108.6 |
Retrieved 1,076 of 1,076 residues in 2451.3 ms
(Link to these results)