| 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 | 39.6 | Very low | 75.8 | Confident | 239 Ų | 239 | 96.3 Ų | 96.3 | 100% | 1.177 | 48% | 0.477 | S | S | * | . | 0 | 133.7 | 0 | -62.8 | -175.6 | -151.7 | 0 | 0 | 105.9 | V3 | M1-V3 PolarHBondContact O-N 3.17Š| |||
| 2 | S | 53.4 | Low | 77.2 | Confident | 112 Ų | 112 | 89.3 Ų | 89.3 | 78% | 0.783 | 44% | 0.442 | S | S | * | . | trans | -63.3 | 119.1 | 172.9 | 60.2 | 0 | 0 | 0 | 0 | 107.4 | K4 | S2-K4 PolarHBondContact O-N 3.12Å; S2-K4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | V | 61.6 | Low | 77.9 | Confident | 48 Ų | 48 | 86.8 Ų | 86.8 | 29% | 0.291 | 45% | 0.454 | S | S | . | . | trans | -55.6 | 121.8 | 172.5 | -179.8 | 0 | 0 | 0 | 0 | 106.6 | M1 E5 Y26 E29 T30 | M1-V3 PolarHBondContact O-N 3.17Å; V3-E5 PolarHBondContact O-N 2.89Å; V3-Y26 HydrophobicContact CG1-CD2 3.55Å; V3-Y26 HydrophobicContact CG1-CE2 3.73Å; V3-E29 WeakPolarHBondContact CG1-OE2 3.45Å; V3-E29 HydrophobicContact CG2-CB 3.94Å; V3-E29 WeakPolarHBondContact CG2-OE2 3.27Å; V3-T30 HydrophobicContact CB-CG2 4.13Å; V3-T30 HydrophobicContact CG1-CG2 3.82Å; V3-T30 HydrophobicContact CG2-CG2 3.97Å | ||
| 4 | K | 70.6 | Confident | 78.8 | Confident | 158 Ų | 158 | 84.3 Ų | 84.3 | 69% | 0.687 | 44% | 0.439 | S | S | * | . | trans | -70.7 | 113.6 | 178.9 | -80.3 | -178.9 | -178.4 | 178.9 | 0 | 108.1 | S2 R22 | S2-K4 PolarHBondContact O-N 3.12Å; S2-K4 VanDerWaalsContact O-N 3.12Å; K4-R22 VanDerWaalsContact CB-NH2 3.31Å; K4-R22 PolarHBondContact O-NH2 2.85Å | ||
| 5 | E | 79.6 | Confident | 79.5 | Confident | 136 Ų | 136 | 89.1 Ų | 89.1 | 64% | 0.636 | 46% | 0.456 | S | S | * | . | trans | -48.8 | 143 | 174.4 | -73.5 | 170.4 | -172.8 | 0 | 0 | 112 | V3 | V3-E5 PolarHBondContact O-N 2.89Š| ||
| 6 | I | 87.1 | Confident | 80.2 | Confident | 7 Ų | 7 | 87.8 Ų | 87.8 | 4% | 0.036 | 44% | 0.443 | C | S | . | . | trans | -87.9 | 112.5 | 174.9 | -56.4 | 178.2 | 0 | 0 | 0 | 107.9 | Q10 I11 R22 I23 Y26 F39 | I6-Q10 HydrophobicContact CG2-CB 3.98Å; I6-I11 HydrophobicContact CG2-CD1 3.6Å; I6-I11 HydrophobicContact CG2-CG1 3.75Å; I6-R22 HydrophobicContact CD1-CG 3.97Å; I6-R22 HydrophobicContact CG1-CG 4.1Å; I6-I23 HydrophobicContact CD1-CG1 3.93Å; I6-Y26 HydrophobicContact CD1-CD2 4.2Å; I6-Y26 HydrophobicContact CD1-CG 3.95Å; I6-Y26 HydrophobicContact CG1-CD2 4.07Å; I6-Y26 HydrophobicContact CG1-CG 4.34Å; I6-F39 HydrophobicContact CB-CE1 4.31Å; I6-F39 HydrophobicContact CB-CE2 4.02Å; I6-F39 HydrophobicContact CB-CZ 3.87Å; I6-F39 HydrophobicContact CD1-CD2 4.04Å; I6-F39 HydrophobicContact CD1-CE2 3.9Å; I6-F39 HydrophobicContact CG1-CE2 4.24Å | ||
| 7 | T | 87.7 | Confident | 80.8 | Confident | 71 Ų | 71 | 90.1 Ų | 90.1 | 44% | 0.436 | 45% | 0.452 | S | S | . | . | trans | -77.7 | 156.5 | 179.4 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | R9 Q10 I11 | T7-R9 PolarHBondContact O-N 3.13Å; T7-Q10 WeakPolarHBondContact O-CB 3.26Å; T7-Q10 PolarHBondContact O-N 3.24Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.35Å; T7-Q10 PolarHBondContact OG1-OE1 2.85Å; T7-I11 PolarHBondContact O-N 3.16Å | ||
| 8 | S | 88.4 | Confident | 81.3 | Confident | 22 Ų | 22 | 88.3 Ų | 88.3 | 15% | 0.154 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -53 | -39.6 | 173.1 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | Q10 I11 F12 | S8-Q10 PolarHBondContact O-N 3.06Å; S8-I11 PolarHBondContact O-N 3.4Å; S8-F12 WeakPolarHBondContact O-CD2 3.47Å; S8-F12 PolarHBondContact O-N 2.98Å |
| 9 | R | 86 | Confident | 82 | Confident | 213 Ų | 213 | 83.7 Ų | 83.7 | 80% | 0.804 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.5 | -31.2 | 176.1 | -170.8 | 178.5 | -176.9 | 174.2 | 7 | 113.3 | T7 G13 | T7-R9 PolarHBondContact O-N 3.13Å; R9-G13 VanDerWaalsContact O-CA 3.29Å; R9-G13 WeakPolarHBondContact O-CA 3.45Å; R9-G13 PolarHBondContact O-N 3.12Å |
| 10 | Q | 88.2 | Confident | 82.5 | Confident | 53 Ų | 53 | 82.1 Ų | 82.1 | 25% | 0.248 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -75 | -47 | 176.3 | -74 | 169.4 | -72.4 | 0 | 0 | 111 | I6 T7 S8 F12 G13 M14 | I6-Q10 HydrophobicContact CG2-CB 3.98Å; T7-Q10 WeakPolarHBondContact O-CB 3.26Å; T7-Q10 PolarHBondContact O-N 3.24Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.35Å; T7-Q10 PolarHBondContact OG1-OE1 2.85Å; S8-Q10 PolarHBondContact O-N 3.06Å; Q10-F12 PolarHBondContact O-N 3.38Å; Q10-G13 PolarHBondContact O-N 3.17Å; Q10-M14 HydrophobicContact CB-CG 4.34Å; Q10-M14 HydrophobicContact CB-SD 3.67Å; Q10-M14 HydrophobicContact CG-SD 3.84Å; Q10-M14 WeakPolarHBondContact O-CB 3.46Å; Q10-M14 VanDerWaalsContact O-CG 3.27Å; Q10-M14 WeakPolarHBondContact O-CG 3.42Å; Q10-M14 PolarHBondContact O-N 2.85Å |
| 11 | I | 91.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 179.3 | -63.8 | -62.6 | 0 | 0 | 0 | 111.9 | I6 T7 S8 V19 I23 F39 A42 L43 R46 F177 | I6-I11 HydrophobicContact CG2-CD1 3.6Å; I6-I11 HydrophobicContact CG2-CG1 3.75Å; T7-I11 PolarHBondContact O-N 3.16Å; S8-I11 PolarHBondContact O-N 3.4Å; I11-V19 HydrophobicContact CD1-CG2 3.87Å; I11-I23 HydrophobicContact CD1-CD1 3.77Å; I11-I23 HydrophobicContact CD1-CG1 4.08Å; I11-F39 HydrophobicContact CD1-CB 4.04Å; I11-F39 HydrophobicContact CD1-CD1 4.2Å; I11-F39 HydrophobicContact CD1-CG 4.2Å; I11-F39 HydrophobicContact CG1-CD1 4.23Å; I11-A42 HydrophobicContact CG2-CB 3.79Å; I11-L43 HydrophobicContact CG2-CD2 4.07Å; I11-L43 HydrophobicContact CG2-CG 4.39Å; I11-R46 PolarHBondContact O-NH1 3.18Å; I11-F177 HydrophobicContact CB-CE1 4.48Å; I11-F177 HydrophobicContact CB-CZ 4.06Å; I11-F177 HydrophobicContact CG1-CE1 3.94Å; I11-F177 HydrophobicContact CG1-CZ 3.83Å; I11-F177 HydrophobicContact CG2-CZ 4.27Å |
| 12 | F | 92.3 | Very high | 85.4 | Confident | 12 Ų | 12 | 75 Ų | 75 | 5% | 0.053 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -89.8 | -7.8 | -176.8 | -64 | -67.4 | 0 | 0 | 0 | 114.4 | S8 Q10 A42 R46 W150 L152 L171 F177 | S8-F12 WeakPolarHBondContact O-CD2 3.47Å; S8-F12 PolarHBondContact O-N 2.98Å; Q10-F12 PolarHBondContact O-N 3.38Å; F12-A42 HydrophobicContact CZ-CB 4.01Å; F12-R46 HydrophobicContact CD1-CB 4.02Å; F12-R46 HydrophobicContact CD1-CG 4.2Å; F12-R46 HydrophobicContact CE1-CB 4.06Å; F12-W150 HydrophobicContact CB-CZ2 4.42Å; F12-W150 AromaticContact CD1-CZ2 3.74Å; F12-W150 HydrophobicContact CD1-CZ2 3.74Å; F12-W150 HydrophobicContact CD2-CZ2 4.05Å; F12-W150 AromaticContact CD2-NE1 3.6Å; F12-W150 AromaticContact CE1-CZ2 3.96Å; F12-W150 HydrophobicContact CE1-CZ2 3.96Å; F12-W150 HydrophobicContact CE2-CZ2 4.27Å; F12-W150 AromaticContact CG-CZ2 3.8Å; F12-W150 HydrophobicContact CG-CZ2 3.8Å; F12-W150 AromaticContact CG-NE1 3.98Å; F12-W150 HydrophobicContact CZ-CZ2 4.23Å; F12-L152 HydrophobicContact CB-CD1 3.99Å; F12-L152 HydrophobicContact CD1-CD1 4.14Å; F12-L152 WeakPolarHBondContact O-CD1 3.4Å; F12-L171 HydrophobicContact CE1-CD2 4.24Å; F12-L171 HydrophobicContact CE2-CD2 4.35Å; F12-L171 HydrophobicContact CZ-CD2 3.53Å; F12-F177 HydrophobicContact CE2-CD2 4.47Å; F12-F177 AromaticContact CE2-CE2 3.74Å; F12-F177 HydrophobicContact CE2-CE2 3.74Å; F12-F177 HydrophobicContact CE2-CZ 4.15Å; F12-F177 HydrophobicContact CZ-CE2 4.25Å |
| 13 | G | 87.1 | Confident | 87.3 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 60% | 0.598 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -119 | -19.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R9 Q10 | R9-G13 VanDerWaalsContact O-CA 3.29Å; R9-G13 WeakPolarHBondContact O-CA 3.45Å; R9-G13 PolarHBondContact O-N 3.12Å; Q10-G13 PolarHBondContact O-N 3.17Å |
| 14 | M | 90.5 | Very high | 88.7 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -81 | 156.2 | 179.3 | -70.1 | 176.9 | 70.2 | 0 | 0 | 111.4 | Q10 S18 V19 R22 R46 | Q10-M14 HydrophobicContact CB-CG 4.34Å; Q10-M14 HydrophobicContact CB-SD 3.67Å; Q10-M14 HydrophobicContact CG-SD 3.84Å; Q10-M14 WeakPolarHBondContact O-CB 3.46Å; Q10-M14 VanDerWaalsContact O-CG 3.27Å; Q10-M14 WeakPolarHBondContact O-CG 3.42Å; Q10-M14 PolarHBondContact O-N 2.85Å; M14-S18 VanDerWaalsContact CE-O 3.31Å; M14-S18 WeakPolarHBondContact CE-O 3.16Å; M14-V19 HydrophobicContact CB-CB 3.95Å; M14-R22 HydrophobicContact CE-CB 4.48Å; M14-R46 PolarHBondContact O-NH1 3.3Å; M14-R46 PolarHBondContact O-NH2 2.69Å; M14-R46 VanDerWaalsContact O-NH2 3.08Å |
| 15 | K | 88.8 | Confident | 89.7 | Confident | 157 Ų | 157 | 66.6 Ų | 66.6 | 68% | 0.683 | 32% | 0.323 | S | S | * | . | trans | -68.8 | 155.6 | 170.9 | -64.9 | -172.3 | 174.1 | -165.2 | 0 | 110.5 | E17 S18 V19 | K15-E17 PolarHBondContact O-N 3.29Å; K15-S18 PolarHBondContact O-N 3.09Å; K15-V19 PolarHBondContact O-N 3.23Å | ||
| 16 | R | 91.3 | Very high | 90.3 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 25% | 0.253 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -45 | -56.2 | -177.8 | -173 | -179.9 | 177.5 | 127.2 | -1.4 | 113 | S18 V19 E20 D53 F54 S55 M57 | R16-S18 VanDerWaalsContact C-N 3.28Å; R16-S18 PolarHBondContact O-N 3.02Å; R16-V19 VanDerWaalsContact O-CG1 3.3Å; R16-V19 WeakPolarHBondContact O-CG1 3.31Å; R16-V19 PolarHBondContact O-N 2.62Å; R16-E20 WeakPolarHBondContact O-CB 3.21Å; R16-E20 PolarHBondContact O-N 3.34Å; R16-D53 IonicContact CZ-OD2 3.76Å; R16-D53 VanDerWaalsContact NH1-C 3.25Å; R16-D53 PolarHBondContact NH1-O 3.45Å; R16-D53 IonicContact NH1-OD1 3.8Å; R16-D53 IonicContact NH1-OD2 2.66Å; R16-D53 PolarHBondContact NH1-OD2 3.33Å; R16-F54 HydrophobicContact CB-CD1 4.22Å; R16-F54 HydrophobicContact CB-CE1 3.97Å; R16-F54 HydrophobicContact CG-CD1 4.27Å; R16-S55 PolarHBondContact NH2-O 3.04Å; R16-M57 HydrophobicContact CG-CE 3.71Å; R16-M57 HydrophobicContact CG-CG 4.41Å; R16-M57 HydrophobicContact CG-SD 3.77Å; R16-M57 VanDerWaalsContact O-CE 3.28Å; R16-M57 WeakPolarHBondContact O-CE 3.48Å |
| 17 | E | 89.4 | Confident | 90.5 | Very high | 128 Ų | 128 | 61.6 Ų | 61.6 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68.8 | -30.8 | -175.8 | -49.5 | 80.7 | -177.5 | 0 | 0 | 112.1 | K15 K21 | K15-E17 PolarHBondContact O-N 3.29Å; E17-K21 WeakPolarHBondContact O-CB 3.42Å; E17-K21 PolarHBondContact O-N 3.09Å |
| 18 | S | 91 | Very high | 90.5 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -77.2 | -36.9 | -178.3 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | M14 K15 R16 R22 | M14-S18 VanDerWaalsContact CE-O 3.31Å; M14-S18 WeakPolarHBondContact CE-O 3.16Å; K15-S18 PolarHBondContact O-N 3.09Å; R16-S18 VanDerWaalsContact C-N 3.28Å; R16-S18 PolarHBondContact O-N 3.02Å; S18-R22 WeakPolarHBondContact O-CB 3.44Å; S18-R22 PolarHBondContact O-N 3.4Å |
| 19 | V | 93.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.2 | -38.6 | 177.7 | 71.9 | 0 | 0 | 0 | 0 | 111 | I11 M14 K15 R16 R22 I23 L43 M57 | I11-V19 HydrophobicContact CD1-CG2 3.87Å; M14-V19 HydrophobicContact CB-CB 3.95Å; K15-V19 PolarHBondContact O-N 3.23Å; R16-V19 VanDerWaalsContact O-CG1 3.3Å; R16-V19 WeakPolarHBondContact O-CG1 3.31Å; R16-V19 PolarHBondContact O-N 2.62Å; V19-R22 PolarHBondContact O-N 3.02Å; V19-I23 HydrophobicContact CG2-CD1 4.05Å; V19-I23 WeakPolarHBondContact O-CG1 3.44Å; V19-I23 PolarHBondContact O-N 2.95Å; V19-L43 HydrophobicContact CG1-CD1 4.45Å; V19-L43 HydrophobicContact CG1-CD2 3.98Å; V19-L43 HydrophobicContact CG2-CD2 4.19Å; V19-M57 HydrophobicContact CG1-CE 3.74Å |
| 20 | E | 92.6 | Very high | 90.7 | Very high | 50 Ų | 50 | 61.7 Ų | 61.7 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.9 | -59.3 | 174.7 | -171.7 | 154 | -138.4 | 0 | 0 | 110.8 | R16 R22 I23 E24 M57 L58 | R16-E20 WeakPolarHBondContact O-CB 3.21Å; R16-E20 PolarHBondContact O-N 3.34Å; E20-R22 PolarHBondContact O-N 3.17Å; E20-R22 VanDerWaalsContact O-N 3.11Å; E20-I23 PolarHBondContact O-N 3.16Å; E20-E24 WeakPolarHBondContact O-CG 3.33Å; E20-E24 PolarHBondContact O-N 2.74Å; E20-M57 HydrophobicContact CB-CE 3.59Å; E20-M57 HydrophobicContact CG-CE 4.24Å; E20-L58 HydrophobicContact CG-CD2 3.86Å; E20-L58 HydrophobicContact CG-CG 4.09Å; E20-L58 PolarHBondContact OE1-N 2.92Å |
| 21 | K | 91.1 | Very high | 90.7 | Very high | 124 Ų | 124 | 65.3 Ų | 65.3 | 54% | 0.539 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.2 | -37.4 | 178.1 | -171.7 | -177 | -176.8 | -158.4 | 0 | 112.6 | E17 E24 E25 | E17-K21 WeakPolarHBondContact O-CB 3.42Å; E17-K21 PolarHBondContact O-N 3.09Å; K21-E24 PolarHBondContact O-N 3.3Å; K21-E25 WeakPolarHBondContact CE-OE1 3.49Å; K21-E25 HydrophobicContact CG-CG 4.5Å; K21-E25 IonicContact NZ-OE1 3.51Å; K21-E25 WeakPolarHBondContact O-CB 3.42Å; K21-E25 VanDerWaalsContact O-CG 3.29Å; K21-E25 WeakPolarHBondContact O-CG 3.46Å; K21-E25 PolarHBondContact O-N 3.12Å |
| 22 | R | 92 | Very high | 90.6 | Very high | 49 Ų | 49 | 68 Ų | 68 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.2 | -39.3 | -178.9 | -175 | 62.5 | -177.1 | 158.1 | 10.7 | 112.2 | K4 I6 M14 S18 V19 E20 E25 Y26 | K4-R22 VanDerWaalsContact CB-NH2 3.31Å; K4-R22 PolarHBondContact O-NH2 2.85Å; I6-R22 HydrophobicContact CD1-CG 3.97Å; I6-R22 HydrophobicContact CG1-CG 4.1Å; M14-R22 HydrophobicContact CE-CB 4.48Å; S18-R22 WeakPolarHBondContact O-CB 3.44Å; S18-R22 PolarHBondContact O-N 3.4Å; V19-R22 PolarHBondContact O-N 3.02Å; E20-R22 PolarHBondContact O-N 3.17Å; E20-R22 VanDerWaalsContact O-N 3.11Å; R22-E25 IonicContact NH1-OE2 3.52Å; R22-Y26 WeakPolarHBondContact O-CB 3.44Å; R22-Y26 PolarHBondContact O-N 3.29Å; R22-Y26 VanDerWaalsContact O-N 3.09Å |
| 23 | I | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.2 | -38.6 | 176.6 | -64.4 | 164.1 | 0 | 0 | 0 | 110.2 | I6 I11 V19 E20 Y26 F27 V36 F39 L43 L58 | I6-I23 HydrophobicContact CD1-CG1 3.93Å; I11-I23 HydrophobicContact CD1-CD1 3.77Å; I11-I23 HydrophobicContact CD1-CG1 4.08Å; V19-I23 HydrophobicContact CG2-CD1 4.05Å; V19-I23 WeakPolarHBondContact O-CG1 3.44Å; V19-I23 PolarHBondContact O-N 2.95Å; E20-I23 PolarHBondContact O-N 3.16Å; I23-Y26 PolarHBondContact O-N 2.88Å; I23-F27 WeakPolarHBondContact O-CB 3.33Å; I23-F27 PolarHBondContact O-N 3.03Å; I23-V36 HydrophobicContact CG2-CG1 3.85Å; I23-F39 HydrophobicContact CD1-CB 4.04Å; I23-F39 HydrophobicContact CG1-CB 4.25Å; I23-L43 HydrophobicContact CD1-CD1 3.62Å; I23-L43 HydrophobicContact CD1-CG 4.45Å; I23-L58 HydrophobicContact CB-CD1 3.84Å; I23-L58 HydrophobicContact CB-CD2 4.39Å; I23-L58 HydrophobicContact CD1-CD1 3.66Å; I23-L58 HydrophobicContact CG1-CD1 4.38Å; I23-L58 HydrophobicContact CG2-CD1 3.66Å; I23-L58 HydrophobicContact CG2-CD2 4.33Å |
| 24 | E | 91.8 | Very high | 90.7 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.8 | -52.8 | 173 | -67.5 | 178.2 | 153.4 | 0 | 0 | 111.3 | E20 K21 Y26 F27 E28 L58 I61 | E20-E24 WeakPolarHBondContact O-CG 3.33Å; E20-E24 PolarHBondContact O-N 2.74Å; K21-E24 PolarHBondContact O-N 3.3Å; E24-Y26 VanDerWaalsContact C-N 3.29Å; E24-Y26 PolarHBondContact O-N 2.73Å; E24-F27 PolarHBondContact O-N 3.13Å; E24-F27 VanDerWaalsContact O-N 3.16Å; E24-E28 WeakPolarHBondContact O-CB 3.28Å; E24-E28 WeakPolarHBondContact O-CG 3.39Å; E24-E28 PolarHBondContact O-N 3.2Å; E24-L58 HydrophobicContact CG-CD2 3.52Å; E24-I61 HydrophobicContact CB-CD1 4.3Å; E24-I61 HydrophobicContact CG-CD1 3.72Å |
| 25 | E | 90.8 | Very high | 90.7 | Very high | 64 Ų | 64 | 64.8 Ų | 64.8 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.3 | -43.2 | 176.3 | -74.9 | 172.2 | -178.6 | 0 | 0 | 111.3 | K21 R22 E28 E29 | K21-E25 WeakPolarHBondContact CE-OE1 3.49Å; K21-E25 HydrophobicContact CG-CG 4.5Å; K21-E25 IonicContact NZ-OE1 3.51Å; K21-E25 WeakPolarHBondContact O-CB 3.42Å; K21-E25 VanDerWaalsContact O-CG 3.29Å; K21-E25 WeakPolarHBondContact O-CG 3.46Å; K21-E25 PolarHBondContact O-N 3.12Å; R22-E25 IonicContact NH1-OE2 3.52Å; E25-E28 PolarHBondContact O-N 3.28Å; E25-E29 WeakPolarHBondContact O-CB 3.39Å; E25-E29 WeakPolarHBondContact O-CG 3.38Å; E25-E29 PolarHBondContact O-N 2.74Å |
| 26 | Y | 91.8 | Very high | 90.9 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 177.9 | -176.1 | -85.3 | 0 | 0 | 0 | 112.3 | V3 I6 R22 I23 E24 E29 T30 T35 V36 F39 | V3-Y26 HydrophobicContact CG1-CD2 3.55Å; V3-Y26 HydrophobicContact CG1-CE2 3.73Å; I6-Y26 HydrophobicContact CD1-CD2 4.2Å; I6-Y26 HydrophobicContact CD1-CG 3.95Å; I6-Y26 HydrophobicContact CG1-CD2 4.07Å; I6-Y26 HydrophobicContact CG1-CG 4.34Å; R22-Y26 WeakPolarHBondContact O-CB 3.44Å; R22-Y26 PolarHBondContact O-N 3.29Å; R22-Y26 VanDerWaalsContact O-N 3.09Å; I23-Y26 PolarHBondContact O-N 2.88Å; E24-Y26 VanDerWaalsContact C-N 3.29Å; E24-Y26 PolarHBondContact O-N 2.73Å; Y26-E29 PolarHBondContact O-N 2.64Å; Y26-T30 HydrophobicContact CD1-CG2 4.21Å; Y26-T30 WeakPolarHBondContact CD1-OG1 3.34Å; Y26-T30 HydrophobicContact CD2-CG2 4.21Å; Y26-T30 HydrophobicContact CE1-CG2 3.87Å; Y26-T30 VanDerWaalsContact CE1-OG1 3.31Å; Y26-T30 WeakPolarHBondContact CE1-OG1 3.42Å; Y26-T30 HydrophobicContact CE2-CG2 3.87Å; Y26-T30 HydrophobicContact CG-CG2 4.36Å; Y26-T30 WeakPolarHBondContact O-CB 3.16Å; Y26-T30 WeakPolarHBondContact O-CG2 3.45Å; Y26-T30 PolarHBondContact O-N 2.84Å; Y26-T30 PolarHBondContact O-OG1 3.24Å; Y26-T35 HydrophobicContact CE1-CG2 3.73Å; Y26-V36 HydrophobicContact CD1-CG2 3.74Å; Y26-V36 HydrophobicContact CE1-CG2 4.17Å; Y26-F39 HydrophobicContact CD1-CE2 4.07Å; Y26-F39 AromaticContact CE1-CE2 3.96Å; Y26-F39 HydrophobicContact CE1-CE2 3.96Å; Y26-F39 HydrophobicContact CG-CE2 4.5Å |
| 27 | F | 91.6 | Very high | 91 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 177.3 | -173.7 | -125.2 | 0 | 0 | 0 | 111.8 | I23 E24 E29 K31 V36 I61 I65 | I23-F27 WeakPolarHBondContact O-CB 3.33Å; I23-F27 PolarHBondContact O-N 3.03Å; E24-F27 PolarHBondContact O-N 3.13Å; E24-F27 VanDerWaalsContact O-N 3.16Å; F27-E29 VanDerWaalsContact C-N 3.34Å; F27-K31 WeakPolarHBondContact O-CA 3.33Å; F27-K31 WeakPolarHBondContact O-CD 3.38Å; F27-K31 PolarHBondContact O-N 3.12Å; F27-V36 HydrophobicContact CB-CG1 4.24Å; F27-V36 HydrophobicContact CB-CG2 3.79Å; F27-V36 HydrophobicContact CD2-CB 4.08Å; F27-V36 HydrophobicContact CD2-CG1 4.2Å; F27-V36 HydrophobicContact CD2-CG2 3.75Å; F27-V36 HydrophobicContact CG-CG1 4.28Å; F27-V36 HydrophobicContact CG-CG2 4.15Å; F27-I61 HydrophobicContact CD1-CD1 4.12Å; F27-I61 HydrophobicContact CD1-CG1 4.13Å; F27-I61 HydrophobicContact CD1-CG2 3.67Å; F27-I61 HydrophobicContact CE1-CG1 4.47Å; F27-I61 HydrophobicContact CE1-CG2 3.87Å; F27-I61 HydrophobicContact CG-CG2 4.12Å; F27-I61 HydrophobicContact CZ-CG2 4.47Å; F27-I65 HydrophobicContact CD2-CD1 4.34Å; F27-I65 HydrophobicContact CE1-CG1 4.44Å; F27-I65 HydrophobicContact CE2-CD1 3.88Å; F27-I65 HydrophobicContact CE2-CG1 3.81Å; F27-I65 HydrophobicContact CZ-CD1 4.06Å; F27-I65 HydrophobicContact CZ-CG1 3.64Å |
| 28 | E | 88.2 | Confident | 91.2 | Very high | 137 Ų | 137 | 48.3 Ų | 48.3 | 64% | 0.64 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.8 | -42.1 | 174.2 | -76.3 | -172.9 | 169.9 | 0 | 0 | 112.2 | E24 E25 K31 | E24-E28 WeakPolarHBondContact O-CB 3.28Å; E24-E28 WeakPolarHBondContact O-CG 3.39Å; E24-E28 PolarHBondContact O-N 3.2Å; E25-E28 PolarHBondContact O-N 3.28Å; E28-K31 VanDerWaalsContact O-CE 3.26Å; E28-K31 WeakPolarHBondContact O-CE 3.34Å |
| 29 | E | 88.1 | Confident | 91.4 | Very high | 124 Ų | 124 | 45.8 Ų | 45.8 | 58% | 0.579 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -78.5 | -40.7 | -178.2 | -71.6 | -178.6 | 177.5 | 0 | 0 | 113.7 | V3 E25 Y26 F27 | V3-E29 WeakPolarHBondContact CG1-OE2 3.45Å; V3-E29 HydrophobicContact CG2-CB 3.94Å; V3-E29 WeakPolarHBondContact CG2-OE2 3.27Å; E25-E29 WeakPolarHBondContact O-CB 3.39Å; E25-E29 WeakPolarHBondContact O-CG 3.38Å; E25-E29 PolarHBondContact O-N 2.74Å; Y26-E29 PolarHBondContact O-N 2.64Å; F27-E29 VanDerWaalsContact C-N 3.34Å |
| 30 | T | 89.7 | Confident | 91.4 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 29% | 0.288 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -98.4 | -29.2 | -172 | 62.8 | 0 | 0 | 0 | 0 | 114 | V3 Y26 D32 | V3-T30 HydrophobicContact CB-CG2 4.13Å; V3-T30 HydrophobicContact CG1-CG2 3.82Å; V3-T30 HydrophobicContact CG2-CG2 3.97Å; Y26-T30 HydrophobicContact CD1-CG2 4.21Å; Y26-T30 WeakPolarHBondContact CD1-OG1 3.34Å; Y26-T30 HydrophobicContact CD2-CG2 4.21Å; Y26-T30 HydrophobicContact CE1-CG2 3.87Å; Y26-T30 VanDerWaalsContact CE1-OG1 3.31Å; Y26-T30 WeakPolarHBondContact CE1-OG1 3.42Å; Y26-T30 HydrophobicContact CE2-CG2 3.87Å; Y26-T30 HydrophobicContact CG-CG2 4.36Å; Y26-T30 WeakPolarHBondContact O-CB 3.16Å; Y26-T30 WeakPolarHBondContact O-CG2 3.45Å; Y26-T30 PolarHBondContact O-N 2.84Å; Y26-T30 PolarHBondContact O-OG1 3.24Å; T30-D32 PolarHBondContact O-N 3.19Å; T30-D32 VanDerWaalsContact O-N 3.12Å; T30-D32 PolarHBondContact OG1-N 2.97Å |
| 31 | K | 87.9 | Confident | 91.5 | Very high | 130 Ų | 130 | 43.4 Ų | 43.4 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | trans | 52.9 | 21.9 | -167.2 | -55.1 | -66.3 | 170.3 | -162.4 | 0 | 113.7 | F27 E28 A33 | F27-K31 WeakPolarHBondContact O-CA 3.33Å; F27-K31 WeakPolarHBondContact O-CD 3.38Å; F27-K31 PolarHBondContact O-N 3.12Å; E28-K31 VanDerWaalsContact O-CE 3.26Å; E28-K31 WeakPolarHBondContact O-CE 3.34Å; K31-A33 PolarHBondContact O-N 2.99Å; K31-A33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | D | 90.9 | Very high | 91.7 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 31% | 0.305 | 18% | 0.182 | S | C | . | . | trans | -80.6 | 97 | -179.4 | -174.7 | -13.6 | 0 | 0 | 0 | 110.5 | T30 A34 T35 V36 | T30-D32 PolarHBondContact O-N 3.19Å; T30-D32 VanDerWaalsContact O-N 3.12Å; T30-D32 PolarHBondContact OG1-N 2.97Å; D32-A34 PolarHBondContact OD1-N 2.9Å; D32-T35 PolarHBondContact OD1-N 3.11Å; D32-T35 VanDerWaalsContact OD1-N 3.09Å; D32-T35 PolarHBondContact OD1-OG1 3.33Å; D32-T35 WeakPolarHBondContact OD2-CB 3.47Å; D32-T35 PolarHBondContact OD2-OG1 3.09Å; D32-V36 WeakPolarHBondContact O-CB 3.29Å; D32-V36 WeakPolarHBondContact O-CG2 3.13Å; D32-V36 PolarHBondContact O-N 3.49Å; D32-V36 VanDerWaalsContact O-N 3.12Å | ||
| 33 | A | 90.4 | Very high | 91.8 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 10% | 0.099 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K31 L37 I65 S69 | K31-A33 PolarHBondContact O-N 2.99Å; K31-A33 VanDerWaalsContact O-N 3.16Å; A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 PolarHBondContact O-N 3.44Å; A33-I65 HydrophobicContact CB-CG1 4.14Å; A33-I65 HydrophobicContact CB-CG2 3.88Å; A33-S69 VanDerWaalsContact CB-CB 3.41Å; A33-S69 WeakPolarHBondContact CB-OG 3.29Å |
| 34 | A | 89.6 | Confident | 91.8 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.9 | -45.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111 | D32 L37 Q38 T74 | D32-A34 PolarHBondContact OD1-N 2.9Å; A34-L37 PolarHBondContact O-N 3.06Å; A34-Q38 WeakPolarHBondContact O-CG 3.44Å; A34-Q38 PolarHBondContact O-N 2.91Å; A34-Q38 VanDerWaalsContact O-N 3.08Å; A34-T74 HydrophobicContact CB-CG2 4.28Å |
| 35 | T | 90.9 | Very high | 92 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 14% | 0.141 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.1 | -42.5 | 178.5 | -65 | 0 | 0 | 0 | 0 | 111.6 | Y26 D32 Q38 F39 V176 | Y26-T35 HydrophobicContact CE1-CG2 3.73Å; D32-T35 PolarHBondContact OD1-N 3.11Å; D32-T35 VanDerWaalsContact OD1-N 3.09Å; D32-T35 PolarHBondContact OD1-OG1 3.33Å; D32-T35 WeakPolarHBondContact OD2-CB 3.47Å; D32-T35 PolarHBondContact OD2-OG1 3.09Å; T35-Q38 WeakPolarHBondContact O-CB 3.37Å; T35-Q38 PolarHBondContact O-N 3.42Å; T35-F39 HydrophobicContact CG2-CD2 4.13Å; T35-F39 HydrophobicContact CG2-CE1 4.33Å; T35-F39 HydrophobicContact CG2-CE2 3.38Å; T35-F39 HydrophobicContact CG2-CZ 3.48Å; T35-F39 VanDerWaalsContact CG2-CZ 3.48Å; T35-F39 WeakPolarHBondContact O-CD2 3.22Å; T35-F39 WeakPolarHBondContact O-CG 3.39Å; T35-F39 PolarHBondContact O-N 3.46Å; T35-V176 HydrophobicContact CG2-CG1 3.75Å |
| 36 | V | 93.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 178.2 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | I23 Y26 F27 D32 Q38 F39 V40 I61 I65 | I23-V36 HydrophobicContact CG2-CG1 3.85Å; Y26-V36 HydrophobicContact CD1-CG2 3.74Å; Y26-V36 HydrophobicContact CE1-CG2 4.17Å; F27-V36 HydrophobicContact CB-CG1 4.24Å; F27-V36 HydrophobicContact CB-CG2 3.79Å; F27-V36 HydrophobicContact CD2-CB 4.08Å; F27-V36 HydrophobicContact CD2-CG1 4.2Å; F27-V36 HydrophobicContact CD2-CG2 3.75Å; F27-V36 HydrophobicContact CG-CG1 4.28Å; F27-V36 HydrophobicContact CG-CG2 4.15Å; D32-V36 WeakPolarHBondContact O-CB 3.29Å; D32-V36 WeakPolarHBondContact O-CG2 3.13Å; D32-V36 PolarHBondContact O-N 3.49Å; D32-V36 VanDerWaalsContact O-N 3.12Å; V36-Q38 VanDerWaalsContact C-N 3.27Å; V36-Q38 PolarHBondContact O-N 3.11Å; V36-F39 WeakPolarHBondContact O-CB 3.4Å; V36-F39 PolarHBondContact O-N 3.12Å; V36-F39 VanDerWaalsContact O-N 3.08Å; V36-V40 HydrophobicContact CG1-CG2 4.48Å; V36-V40 WeakPolarHBondContact O-CG2 3.46Å; V36-V40 PolarHBondContact O-N 3.21Å; V36-I61 HydrophobicContact CG1-CG2 3.85Å; V36-I65 HydrophobicContact CB-CD1 3.97Å; V36-I65 HydrophobicContact CG1-CD1 3.64Å |
| 37 | L | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 176.8 | -168.2 | 69 | 0 | 0 | 0 | 111.7 | A33 A34 V40 F41 V62 L66 L75 L78 F82 | A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 PolarHBondContact O-N 3.44Å; A34-L37 PolarHBondContact O-N 3.06Å; L37-V40 PolarHBondContact O-N 2.94Å; L37-F41 WeakPolarHBondContact O-CB 3.3Å; L37-F41 PolarHBondContact O-N 3.46Å; L37-V62 HydrophobicContact CD1-CG1 4.03Å; L37-V62 HydrophobicContact CD1-CG2 4.3Å; L37-L66 HydrophobicContact CD2-CD2 3.89Å; L37-L75 HydrophobicContact CB-CD2 4.13Å; L37-L75 HydrophobicContact CD2-CD2 3.43Å; L37-L75 VanDerWaalsContact CD2-CD2 3.43Å; L37-L75 HydrophobicContact CG-CD2 4.37Å; L37-L78 HydrophobicContact CD2-CB 3.74Å; L37-L78 HydrophobicContact CD2-CD1 4.36Å; L37-L78 HydrophobicContact CG-CB 4.28Å; L37-L78 HydrophobicContact CG-CD1 4.32Å; L37-F82 HydrophobicContact CD1-CD2 3.8Å; L37-F82 HydrophobicContact CD1-CE2 3.48Å; L37-F82 VanDerWaalsContact CD1-CE2 3.48Å; L37-F82 HydrophobicContact CD1-CG 4.46Å; L37-F82 HydrophobicContact CD1-CZ 3.9Å; L37-F82 HydrophobicContact CD2-CE2 4.37Å; L37-F82 HydrophobicContact CG-CD2 4.41Å; L37-F82 HydrophobicContact CG-CE2 3.82Å; L37-F82 HydrophobicContact CG-CZ 4.4Å |
| 38 | Q | 93.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 3% | 0.033 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 172.7 | -77.3 | -174.6 | 68.5 | 0 | 0 | 112.7 | A34 T35 V36 F41 A42 T74 L78 L174 T175 V176 | A34-Q38 WeakPolarHBondContact O-CG 3.44Å; A34-Q38 PolarHBondContact O-N 2.91Å; A34-Q38 VanDerWaalsContact O-N 3.08Å; T35-Q38 WeakPolarHBondContact O-CB 3.37Å; T35-Q38 PolarHBondContact O-N 3.42Å; V36-Q38 VanDerWaalsContact C-N 3.27Å; V36-Q38 PolarHBondContact O-N 3.11Å; Q38-F41 PolarHBondContact O-N 2.93Å; Q38-A42 WeakPolarHBondContact O-CB 3.31Å; Q38-A42 PolarHBondContact O-N 3.03Å; Q38-T74 HydrophobicContact CG-CG2 3.83Å; Q38-L78 HydrophobicContact CG-CD1 3.7Å; Q38-L174 HydrophobicContact CB-CD2 3.82Å; Q38-L174 HydrophobicContact CG-CD2 4.1Å; Q38-L174 VanDerWaalsContact O-CD2 3.31Å; Q38-L174 WeakPolarHBondContact O-CD2 3.49Å; Q38-T175 PolarHBondContact NE2-OG1 3.16Å; Q38-T175 PolarHBondContact OE1-OG1 2.99Å; Q38-T175 VanDerWaalsContact OE1-OG1 3.12Å; Q38-V176 HydrophobicContact CB-CG1 3.88Å; Q38-V176 HydrophobicContact CB-CG2 3.91Å; Q38-V176 HydrophobicContact CG-CG1 4.33Å |
| 39 | F | 94.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 2% | 0.022 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 174.3 | -63.7 | -35.3 | 0 | 0 | 0 | 112.6 | I6 I11 I23 Y26 T35 V36 F41 A42 L43 V176 F177 | I6-F39 HydrophobicContact CB-CE1 4.31Å; I6-F39 HydrophobicContact CB-CE2 4.02Å; I6-F39 HydrophobicContact CB-CZ 3.87Å; I6-F39 HydrophobicContact CD1-CD2 4.04Å; I6-F39 HydrophobicContact CD1-CE2 3.9Å; I6-F39 HydrophobicContact CG1-CE2 4.24Å; I11-F39 HydrophobicContact CD1-CB 4.04Å; I11-F39 HydrophobicContact CD1-CD1 4.2Å; I11-F39 HydrophobicContact CD1-CG 4.2Å; I11-F39 HydrophobicContact CG1-CD1 4.23Å; I23-F39 HydrophobicContact CD1-CB 4.04Å; I23-F39 HydrophobicContact CG1-CB 4.25Å; Y26-F39 HydrophobicContact CD1-CE2 4.07Å; Y26-F39 AromaticContact CE1-CE2 3.96Å; Y26-F39 HydrophobicContact CE1-CE2 3.96Å; Y26-F39 HydrophobicContact CG-CE2 4.5Å; T35-F39 HydrophobicContact CG2-CD2 4.13Å; T35-F39 HydrophobicContact CG2-CE1 4.33Å; T35-F39 HydrophobicContact CG2-CE2 3.38Å; T35-F39 HydrophobicContact CG2-CZ 3.48Å; T35-F39 VanDerWaalsContact CG2-CZ 3.48Å; T35-F39 WeakPolarHBondContact O-CD2 3.22Å; T35-F39 WeakPolarHBondContact O-CG 3.39Å; T35-F39 PolarHBondContact O-N 3.46Å; V36-F39 WeakPolarHBondContact O-CB 3.4Å; V36-F39 PolarHBondContact O-N 3.12Å; V36-F39 VanDerWaalsContact O-N 3.08Å; F39-F41 VanDerWaalsContact C-N 3.33Å; F39-A42 WeakPolarHBondContact O-CB 3.29Å; F39-A42 PolarHBondContact O-N 3.03Å; F39-L43 PolarHBondContact O-N 3.22Å; F39-V176 HydrophobicContact CD1-CB 4.49Å; F39-V176 HydrophobicContact CD1-CG2 3.91Å; F39-V176 HydrophobicContact CE1-CB 3.81Å; F39-V176 HydrophobicContact CE1-CG1 4.37Å; F39-V176 HydrophobicContact CE1-CG2 3.66Å; F39-V176 HydrophobicContact CZ-CB 4.38Å; F39-F177 HydrophobicContact CD1-CE1 4.06Å; F39-F177 HydrophobicContact CD1-CZ 4.24Å; F39-F177 AromaticContact CE1-CE1 3.9Å; F39-F177 HydrophobicContact CE1-CE1 3.9Å |
| 40 | V | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.4 | -36.5 | 175.4 | -166 | 0 | 0 | 0 | 0 | 111 | V36 L37 A42 L43 L44 L58 V62 F82 | V36-V40 HydrophobicContact CG1-CG2 4.48Å; V36-V40 WeakPolarHBondContact O-CG2 3.46Å; V36-V40 PolarHBondContact O-N 3.21Å; L37-V40 PolarHBondContact O-N 2.94Å; V40-A42 VanDerWaalsContact C-N 3.35Å; V40-A42 PolarHBondContact O-N 3.35Å; V40-L43 WeakPolarHBondContact O-CB 3.35Å; V40-L43 PolarHBondContact O-N 3.08Å; V40-L43 VanDerWaalsContact O-N 3.09Å; V40-L44 PolarHBondContact O-N 2.94Å; V40-L58 HydrophobicContact CG1-CB 4.46Å; V40-L58 HydrophobicContact CG2-CB 4.1Å; V40-L58 HydrophobicContact CG2-CD1 3.66Å; V40-V62 HydrophobicContact CB-CG2 4.05Å; V40-V62 HydrophobicContact CG1-CG2 3.77Å; V40-V62 HydrophobicContact CG2-CG2 3.94Å; V40-F82 HydrophobicContact CB-CE1 4.19Å; V40-F82 HydrophobicContact CB-CZ 4.22Å; V40-F82 HydrophobicContact CG1-CE1 3.81Å; V40-F82 HydrophobicContact CG1-CZ 4.33Å |
| 41 | F | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 175 | -175.1 | -121.3 | 0 | 0 | 0 | 111.2 | L37 Q38 F39 L43 L44 L45 L78 F81 F82 L119 L170 L173 L174 | L37-F41 WeakPolarHBondContact O-CB 3.3Å; L37-F41 PolarHBondContact O-N 3.46Å; Q38-F41 PolarHBondContact O-N 2.93Å; F39-F41 VanDerWaalsContact C-N 3.33Å; F41-L43 PolarHBondContact O-N 3.44Å; F41-L44 HydrophobicContact CD2-CD1 4.35Å; F41-L44 WeakPolarHBondContact O-CB 3.29Å; F41-L44 PolarHBondContact O-N 3.08Å; F41-L45 HydrophobicContact CD1-CD1 4.18Å; F41-L45 HydrophobicContact CE1-CD1 3.89Å; F41-L45 HydrophobicContact CE1-CD2 4.26Å; F41-L45 HydrophobicContact CE1-CG 4.28Å; F41-L45 HydrophobicContact CE2-CD2 4.22Å; F41-L45 HydrophobicContact CZ-CD1 4.34Å; F41-L45 HydrophobicContact CZ-CD2 3.88Å; F41-L45 HydrophobicContact CZ-CG 4.3Å; F41-L45 WeakPolarHBondContact O-CG 3.4Å; F41-L45 PolarHBondContact O-N 2.99Å; F41-L78 HydrophobicContact CB-CD1 4.24Å; F41-L78 HydrophobicContact CB-CD2 4.49Å; F41-L78 HydrophobicContact CD1-CD2 3.61Å; F41-L78 HydrophobicContact CD2-CD2 4.33Å; F41-L78 HydrophobicContact CE1-CD2 3.83Å; F41-L78 HydrophobicContact CG-CD2 3.89Å; F41-L78 HydrophobicContact CZ-CD2 4.3Å; F41-F81 HydrophobicContact CD2-CB 4.19Å; F41-F81 HydrophobicContact CD2-CD2 4.14Å; F41-F81 HydrophobicContact CD2-CG 4.16Å; F41-F81 HydrophobicContact CE2-CB 3.96Å; F41-F81 AromaticContact CE2-CD1 3.79Å; F41-F81 HydrophobicContact CE2-CD1 3.79Å; F41-F81 AromaticContact CE2-CD2 3.47Å; F41-F81 HydrophobicContact CE2-CD2 3.47Å; F41-F81 VanDerWaalsContact CE2-CD2 3.47Å; F41-F81 HydrophobicContact CE2-CE1 4.05Å; F41-F81 AromaticContact CE2-CE2 3.78Å; F41-F81 HydrophobicContact CE2-CE2 3.78Å; F41-F81 AromaticContact CE2-CG 3.47Å; F41-F81 HydrophobicContact CE2-CG 3.47Å; F41-F81 VanDerWaalsContact CE2-CG 3.47Å; F41-F81 HydrophobicContact CE2-CZ 4.04Å; F41-F81 HydrophobicContact CZ-CD1 4.41Å; F41-F81 AromaticContact CZ-CD2 3.92Å; F41-F81 HydrophobicContact CZ-CD2 3.92Å; F41-F81 HydrophobicContact CZ-CE1 4.21Å; F41-F81 AromaticContact CZ-CE2 3.72Å; F41-F81 HydrophobicContact CZ-CE2 3.72Å; F41-F81 HydrophobicContact CZ-CG 4.25Å; F41-F81 AromaticContact CZ-CZ 3.86Å; F41-F81 HydrophobicContact CZ-CZ 3.86Å; F41-F82 HydrophobicContact CB-CE2 4.31Å; F41-F82 HydrophobicContact CB-CZ 3.94Å; F41-F82 HydrophobicContact CD2-CE2 4.48Å; F41-F82 HydrophobicContact CD2-CZ 4.39Å; F41-L119 HydrophobicContact CE2-CD2 4.35Å; F41-L170 HydrophobicContact CE1-CB 4.33Å; F41-L170 HydrophobicContact CZ-CB 4.14Å; F41-L170 HydrophobicContact CZ-CD1 4.34Å; F41-L170 HydrophobicContact CZ-CD2 4.26Å; F41-L170 HydrophobicContact CZ-CG 4.48Å; F41-L173 HydrophobicContact CE1-CD1 4.37Å; F41-L174 HydrophobicContact CB-CD2 4.45Å; F41-L174 HydrophobicContact CD1-CD2 3.79Å; F41-L174 HydrophobicContact CD1-CG 4.41Å |
| 42 | A | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58 | -32.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I11 F12 Q38 F39 V40 L45 R46 L174 F177 | I11-A42 HydrophobicContact CG2-CB 3.79Å; F12-A42 HydrophobicContact CZ-CB 4.01Å; Q38-A42 WeakPolarHBondContact O-CB 3.31Å; Q38-A42 PolarHBondContact O-N 3.03Å; F39-A42 WeakPolarHBondContact O-CB 3.29Å; F39-A42 PolarHBondContact O-N 3.03Å; V40-A42 VanDerWaalsContact C-N 3.35Å; V40-A42 PolarHBondContact O-N 3.35Å; A42-L45 PolarHBondContact O-N 3.05Å; A42-R46 WeakPolarHBondContact O-CB 3.34Å; A42-R46 PolarHBondContact O-N 3.35Å; A42-L174 HydrophobicContact CB-CD1 3.65Å; A42-F177 HydrophobicContact CB-CE2 3.98Å; A42-F177 HydrophobicContact CB-CZ 4.04Å |
| 43 | L | 94.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71.2 | -34.8 | 173.3 | -69.1 | 174.2 | 0 | 0 | 0 | 112.7 | I11 V19 I23 F39 V40 F41 R46 N47 F54 M57 L58 | I11-L43 HydrophobicContact CG2-CD2 4.07Å; I11-L43 HydrophobicContact CG2-CG 4.39Å; V19-L43 HydrophobicContact CG1-CD1 4.45Å; V19-L43 HydrophobicContact CG1-CD2 3.98Å; V19-L43 HydrophobicContact CG2-CD2 4.19Å; I23-L43 HydrophobicContact CD1-CD1 3.62Å; I23-L43 HydrophobicContact CD1-CG 4.45Å; F39-L43 PolarHBondContact O-N 3.22Å; V40-L43 WeakPolarHBondContact O-CB 3.35Å; V40-L43 PolarHBondContact O-N 3.08Å; V40-L43 VanDerWaalsContact O-N 3.09Å; F41-L43 PolarHBondContact O-N 3.44Å; L43-R46 WeakPolarHBondContact O-CB 3.32Å; L43-R46 PolarHBondContact O-N 2.84Å; L43-N47 WeakPolarHBondContact O-CB 3.46Å; L43-N47 PolarHBondContact O-N 2.96Å; L43-F54 HydrophobicContact CD2-CD1 4.48Å; L43-M57 HydrophobicContact CD1-CE 4.14Å; L43-M57 HydrophobicContact CD1-SD 4.1Å; L43-L58 HydrophobicContact CD1-CD1 4.12Å |
| 44 | L | 93.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 12 Ų | 12 | 6% | 0.058 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 171.1 | -71.3 | 177.5 | 0 | 0 | 0 | 111.3 | V40 F41 R46 N47 A48 F82 Y85 L119 | V40-L44 PolarHBondContact O-N 2.94Å; F41-L44 HydrophobicContact CD2-CD1 4.35Å; F41-L44 WeakPolarHBondContact O-CB 3.29Å; F41-L44 PolarHBondContact O-N 3.08Å; L44-R46 VanDerWaalsContact C-N 3.33Å; L44-R46 PolarHBondContact O-N 2.95Å; L44-N47 WeakPolarHBondContact O-CB 3.37Å; L44-N47 PolarHBondContact O-N 3.39Å; L44-A48 PolarHBondContact O-N 3.27Å; L44-A48 VanDerWaalsContact O-N 3.11Å; L44-F82 HydrophobicContact CD1-CD1 3.82Å; L44-F82 HydrophobicContact CD1-CE1 3.34Å; L44-F82 HydrophobicContact CD1-CZ 3.82Å; L44-F82 HydrophobicContact CG-CE1 4.13Å; L44-Y85 HydrophobicContact CD2-CE2 4.33Å; L44-L119 HydrophobicContact CB-CD1 4.33Å |
| 45 | L | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 175.5 | -57.5 | 179.2 | 0 | 0 | 0 | 111.3 | F41 A42 A48 L49 L119 I167 L170 L171 L174 | F41-L45 HydrophobicContact CD1-CD1 4.18Å; F41-L45 HydrophobicContact CE1-CD1 3.89Å; F41-L45 HydrophobicContact CE1-CD2 4.26Å; F41-L45 HydrophobicContact CE1-CG 4.28Å; F41-L45 HydrophobicContact CE2-CD2 4.22Å; F41-L45 HydrophobicContact CZ-CD1 4.34Å; F41-L45 HydrophobicContact CZ-CD2 3.88Å; F41-L45 HydrophobicContact CZ-CG 4.3Å; F41-L45 WeakPolarHBondContact O-CG 3.4Å; F41-L45 PolarHBondContact O-N 2.99Å; A42-L45 PolarHBondContact O-N 3.05Å; L45-A48 PolarHBondContact O-N 2.92Å; L45-L49 WeakPolarHBondContact O-CG 3.49Å; L45-L49 PolarHBondContact O-N 3.39Å; L45-L119 HydrophobicContact CD2-CD1 3.72Å; L45-I167 HydrophobicContact CB-CG2 3.97Å; L45-I167 HydrophobicContact CD2-CG2 3.96Å; L45-L170 HydrophobicContact CD1-CB 4.02Å; L45-L170 HydrophobicContact CD2-CB 3.53Å; L45-L170 HydrophobicContact CD2-CD1 3.64Å; L45-L170 HydrophobicContact CD2-CG 4.24Å; L45-L170 HydrophobicContact CG-CB 4.46Å; L45-L171 HydrophobicContact CB-CD2 4.34Å; L45-L171 HydrophobicContact CD1-CB 4.5Å; L45-L171 HydrophobicContact CD1-CD2 3.56Å; L45-L171 HydrophobicContact CD1-CG 3.9Å; L45-L174 HydrophobicContact CD1-CD1 4.25Å |
| 46 | R | 94.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 14.7 Ų | 14.7 | 5% | 0.045 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 173.4 | -175.8 | -178.7 | -176.8 | -173.6 | -7.8 | 111.2 | I11 F12 M14 A42 L43 L44 A48 L49 T50 F54 L152 | I11-R46 PolarHBondContact O-NH1 3.18Å; F12-R46 HydrophobicContact CD1-CB 4.02Å; F12-R46 HydrophobicContact CD1-CG 4.2Å; F12-R46 HydrophobicContact CE1-CB 4.06Å; M14-R46 PolarHBondContact O-NH1 3.3Å; M14-R46 PolarHBondContact O-NH2 2.69Å; M14-R46 VanDerWaalsContact O-NH2 3.08Å; A42-R46 WeakPolarHBondContact O-CB 3.34Å; A42-R46 PolarHBondContact O-N 3.35Å; L43-R46 WeakPolarHBondContact O-CB 3.32Å; L43-R46 PolarHBondContact O-N 2.84Å; L44-R46 VanDerWaalsContact C-N 3.33Å; L44-R46 PolarHBondContact O-N 2.95Å; R46-A48 VanDerWaalsContact C-N 3.28Å; R46-A48 PolarHBondContact O-N 3.47Å; R46-L49 PolarHBondContact O-N 3.19Å; R46-L49 VanDerWaalsContact O-N 3.09Å; R46-T50 HydrophobicContact CG-CG2 4.19Å; R46-T50 WeakPolarHBondContact O-CG2 3.3Å; R46-T50 PolarHBondContact O-N 3.17Å; R46-T50 VanDerWaalsContact O-N 3.08Å; R46-T50 PolarHBondContact O-OG1 3.46Å; R46-F54 HydrophobicContact CG-CD2 4.07Å; R46-F54 HydrophobicContact CG-CE2 4.15Å; R46-L152 HydrophobicContact CG-CD1 4.11Å; R46-L152 HydrophobicContact CG-CD2 4.49Å |
| 47 | N | 94.2 | Very high | 92.3 | Very high | 30 Ų | 30 | 14.7 Ų | 14.7 | 16% | 0.16 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.2 | -42.2 | 179.2 | -173.1 | 79.2 | 0 | 0 | 0 | 112.1 | L43 L44 L49 D53 F54 S55 T123 | L43-N47 WeakPolarHBondContact O-CB 3.46Å; L43-N47 PolarHBondContact O-N 2.96Å; L44-N47 WeakPolarHBondContact O-CB 3.37Å; L44-N47 PolarHBondContact O-N 3.39Å; N47-L49 PolarHBondContact O-N 3Å; N47-D53 PolarHBondContact OD1-OD1 3.14Å; N47-F54 HydrophobicContact CB-CB 4.05Å; N47-F54 PolarHBondContact OD1-N 3.24Å; N47-S55 PolarHBondContact OD1-N 3.43Å; N47-T123 WeakPolarHBondContact O-CG2 3.43Å |
| 48 | A | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.5 | -19.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | L44 L45 R46 L119 L159 K163 I167 | L44-A48 PolarHBondContact O-N 3.27Å; L44-A48 VanDerWaalsContact O-N 3.11Å; L45-A48 PolarHBondContact O-N 2.92Å; R46-A48 VanDerWaalsContact C-N 3.28Å; R46-A48 PolarHBondContact O-N 3.47Å; A48-L119 HydrophobicContact CB-CD1 4Å; A48-L159 WeakPolarHBondContact O-CD2 3.29Å; A48-K163 WeakPolarHBondContact O-CE 3.45Å; A48-I167 HydrophobicContact CB-CD1 3.98Å; A48-I167 HydrophobicContact CB-CG1 4.21Å; A48-I167 HydrophobicContact CB-CG2 4.48Å |
| 49 | L | 95 | Very high | 92.1 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -105.4 | -10.8 | -177.8 | -65.7 | 172.8 | 0 | 0 | 0 | 113.7 | L45 R46 N47 L136 W150 L152 A155 D156 L159 I167 L168 | L45-L49 WeakPolarHBondContact O-CG 3.49Å; L45-L49 PolarHBondContact O-N 3.39Å; R46-L49 PolarHBondContact O-N 3.19Å; R46-L49 VanDerWaalsContact O-N 3.09Å; N47-L49 PolarHBondContact O-N 3Å; L49-L136 HydrophobicContact CD1-CD2 3.96Å; L49-L136 HydrophobicContact CD2-CD2 4.24Å; L49-L136 HydrophobicContact CG-CD2 4.5Å; L49-W150 HydrophobicContact CD1-CH2 4.33Å; L49-L152 HydrophobicContact CB-CD2 3.78Å; L49-L152 HydrophobicContact CD1-CD2 4.12Å; L49-A155 WeakPolarHBondContact O-CA 3.43Å; L49-D156 PolarHBondContact O-N 3.48Å; L49-L159 HydrophobicContact CB-CD1 4.4Å; L49-L159 HydrophobicContact CD2-CD1 3.87Å; L49-I167 HydrophobicContact CD1-CB 4.48Å; L49-I167 HydrophobicContact CD1-CG2 3.72Å; L49-I167 HydrophobicContact CD2-CB 4.07Å; L49-I167 HydrophobicContact CD2-CG2 4.05Å; L49-I167 HydrophobicContact CG-CB 4.29Å; L49-I167 HydrophobicContact CG-CG2 3.7Å; L49-L168 HydrophobicContact CD1-CD2 4.08Å |
| 50 | T | 92.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -124.2 | 143.9 | -174 | 63.7 | 0 | 0 | 0 | 0 | 112.3 | R46 T52 L152 D154 | R46-T50 HydrophobicContact CG-CG2 4.19Å; R46-T50 WeakPolarHBondContact O-CG2 3.3Å; R46-T50 PolarHBondContact O-N 3.17Å; R46-T50 VanDerWaalsContact O-N 3.08Å; R46-T50 PolarHBondContact O-OG1 3.46Å; T50-T52 PolarHBondContact O-N 2.97Å; T50-T52 PolarHBondContact OG1-O 2.82Å; T50-L152 HydrophobicContact CG2-CD1 4.02Å; T50-L152 HydrophobicContact CG2-CD2 3.56Å; T50-L152 HydrophobicContact CG2-CG 3.69Å; T50-D154 CarbonylContact C-O 3.49Å; T50-D154 WeakPolarHBondContact CA-O 3.48Å; T50-D154 WeakPolarHBondContact CB-O 3.5Å |
| 51 | V | 90.1 | Very high | 91.8 | Very high | 15 Ų | 15 | 22.3 Ų | 22.3 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -68.5 | -14.9 | 172.4 | -60 | 0 | 0 | 0 | 0 | 113.4 | T124 I126 L129 D154 D156 | V51-T124 WeakPolarHBondContact CB-O 3.29Å; V51-T124 VanDerWaalsContact CG1-O 3.26Å; V51-T124 WeakPolarHBondContact CG1-O 3.39Å; V51-I126 HydrophobicContact CG2-CB 4.42Å; V51-I126 HydrophobicContact CG2-CD1 4.36Å; V51-I126 HydrophobicContact CG2-CG1 4.15Å; V51-L129 HydrophobicContact CB-CD1 4.3Å; V51-L129 HydrophobicContact CG1-CD1 3.81Å; V51-L129 HydrophobicContact CG1-CG 4.48Å; V51-L129 HydrophobicContact CG2-CD1 3.79Å; V51-D154 HydrophobicContact CG2-CB 4.49Å; V51-D154 PolarHBondContact N-O 2.88Å; V51-D156 HydrophobicContact CG1-CB 3.82Å |
| 52 | T | 87.4 | Confident | 91.8 | Very high | 42 Ų | 42 | 22.3 Ų | 22.3 | 26% | 0.258 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -78.8 | 125.4 | 174.6 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | T50 F54 | T50-T52 PolarHBondContact O-N 2.97Å; T50-T52 PolarHBondContact OG1-O 2.82Å; T52-F54 HydrophobicContact CG2-CD2 4.28Å; T52-F54 HydrophobicContact CG2-CE2 3.5Å; T52-F54 VanDerWaalsContact CG2-CE2 3.5Å; T52-F54 HydrophobicContact CG2-CZ 3.62Å; T52-F54 WeakPolarHBondContact O-CD2 3.18Å; T52-F54 WeakPolarHBondContact O-CE2 3.09Å; T52-F54 PolarHBondContact O-N 3.47Å |
| 53 | D | 88.7 | Confident | 91.7 | Very high | 83 Ų | 83 | 24.6 Ų | 24.6 | 44% | 0.444 | 15% | 0.15 | S | C | . | . | trans | -70.2 | 121.1 | 179.8 | 177.4 | 35.7 | 0 | 0 | 0 | 112.2 | R16 N47 S55 | R16-D53 IonicContact CZ-OD2 3.76Å; R16-D53 VanDerWaalsContact NH1-C 3.25Å; R16-D53 PolarHBondContact NH1-O 3.45Å; R16-D53 IonicContact NH1-OD1 3.8Å; R16-D53 IonicContact NH1-OD2 2.66Å; R16-D53 PolarHBondContact NH1-OD2 3.33Å; N47-D53 PolarHBondContact OD1-OD1 3.14Å; D53-S55 WeakPolarHBondContact OD1-CB 3.24Å; D53-S55 PolarHBondContact OD1-N 3.03Å; D53-S55 PolarHBondContact OD1-OG 3.45Å | ||
| 54 | F | 90.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | trans | -121.8 | 14.7 | 168.8 | -62.8 | -85.6 | 0 | 0 | 0 | 111.7 | R16 L43 R46 N47 T52 M57 | R16-F54 HydrophobicContact CB-CD1 4.22Å; R16-F54 HydrophobicContact CB-CE1 3.97Å; R16-F54 HydrophobicContact CG-CD1 4.27Å; L43-F54 HydrophobicContact CD2-CD1 4.48Å; R46-F54 HydrophobicContact CG-CD2 4.07Å; R46-F54 HydrophobicContact CG-CE2 4.15Å; N47-F54 HydrophobicContact CB-CB 4.05Å; N47-F54 PolarHBondContact OD1-N 3.24Å; T52-F54 HydrophobicContact CG2-CD2 4.28Å; T52-F54 HydrophobicContact CG2-CE2 3.5Å; T52-F54 VanDerWaalsContact CG2-CE2 3.5Å; T52-F54 HydrophobicContact CG2-CZ 3.62Å; T52-F54 WeakPolarHBondContact O-CD2 3.18Å; T52-F54 WeakPolarHBondContact O-CE2 3.09Å; T52-F54 PolarHBondContact O-N 3.47Å; F54-M57 HydrophobicContact CB-SD 3.78Å; F54-M57 HydrophobicContact CD1-SD 3.64Å; F54-M57 HydrophobicContact CG-SD 4.21Å; F54-M57 WeakPolarHBondContact O-CG 3.5Å | ||
| 55 | S | 87.1 | Confident | 91.5 | Very high | 54 Ų | 54 | 28.3 Ų | 28.3 | 38% | 0.378 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 147.4 | 180 | 70.2 | 0 | 0 | 0 | 0 | 112 | R16 N47 D53 M57 | R16-S55 PolarHBondContact NH2-O 3.04Å; N47-S55 PolarHBondContact OD1-N 3.43Å; D53-S55 WeakPolarHBondContact OD1-CB 3.24Å; D53-S55 PolarHBondContact OD1-N 3.03Å; D53-S55 PolarHBondContact OD1-OG 3.45Å; S55-M57 VanDerWaalsContact C-N 3.27Å; S55-M57 PolarHBondContact O-N 2.87Å |
| 56 | G | 84.7 | Confident | 91.4 | Very high | 42 Ų | 42 | 28.2 Ų | 28.2 | 43% | 0.433 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 23 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T59 | G56-T59 PolarHBondContact O-OG1 3.07Å; G56-T59 VanDerWaalsContact O-OG1 3.04Å |
| 57 | M | 90.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 148.2 | 176.4 | -68.2 | -178.8 | 73.3 | 0 | 0 | 111.8 | R16 V19 E20 L43 F54 S55 T59 Y85 | R16-M57 HydrophobicContact CG-CE 3.71Å; R16-M57 HydrophobicContact CG-CG 4.41Å; R16-M57 HydrophobicContact CG-SD 3.77Å; R16-M57 VanDerWaalsContact O-CE 3.28Å; R16-M57 WeakPolarHBondContact O-CE 3.48Å; V19-M57 HydrophobicContact CG1-CE 3.74Å; E20-M57 HydrophobicContact CB-CE 3.59Å; E20-M57 HydrophobicContact CG-CE 4.24Å; L43-M57 HydrophobicContact CD1-CE 4.14Å; L43-M57 HydrophobicContact CD1-SD 4.1Å; F54-M57 HydrophobicContact CB-SD 3.78Å; F54-M57 HydrophobicContact CD1-SD 3.64Å; F54-M57 HydrophobicContact CG-SD 4.21Å; F54-M57 WeakPolarHBondContact O-CG 3.5Å; S55-M57 VanDerWaalsContact C-N 3.27Å; S55-M57 PolarHBondContact O-N 2.87Å; M57-T59 PolarHBondContact O-N 3.02Å; M57-Y85 WeakPolarHBondContact O-CE1 3.31Å; M57-Y85 PolarHBondContact O-OH 3.03Å |
| 58 | L | 92.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 25.7 | 172.8 | -59.4 | 157.3 | 0 | 0 | 0 | 113.9 | E20 I23 E24 V40 L43 T60 I61 V62 | E20-L58 HydrophobicContact CG-CD2 3.86Å; E20-L58 HydrophobicContact CG-CG 4.09Å; E20-L58 PolarHBondContact OE1-N 2.92Å; I23-L58 HydrophobicContact CB-CD1 3.84Å; I23-L58 HydrophobicContact CB-CD2 4.39Å; I23-L58 HydrophobicContact CD1-CD1 3.66Å; I23-L58 HydrophobicContact CG1-CD1 4.38Å; I23-L58 HydrophobicContact CG2-CD1 3.66Å; I23-L58 HydrophobicContact CG2-CD2 4.33Å; E24-L58 HydrophobicContact CG-CD2 3.52Å; V40-L58 HydrophobicContact CG1-CB 4.46Å; V40-L58 HydrophobicContact CG2-CB 4.1Å; V40-L58 HydrophobicContact CG2-CD1 3.66Å; L43-L58 HydrophobicContact CD1-CD1 4.12Å; L58-T60 VanDerWaalsContact C-N 3.31Å; L58-T60 PolarHBondContact O-N 2.88Å; L58-I61 HydrophobicContact CB-CB 4.46Å; L58-I61 HydrophobicContact CD2-CD1 3.85Å; L58-I61 PolarHBondContact O-N 2.97Å; L58-V62 PolarHBondContact O-N 3.11Å |
| 59 | T | 91.4 | Very high | 91 | Very high | 38 Ų | 38 | 35.4 Ų | 35.4 | 23% | 0.233 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.2 | -44.1 | -173.3 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | G56 M57 I61 V62 Q63 Y85 | G56-T59 PolarHBondContact O-OG1 3.07Å; G56-T59 VanDerWaalsContact O-OG1 3.04Å; M57-T59 PolarHBondContact O-N 3.02Å; T59-I61 VanDerWaalsContact C-N 3.33Å; T59-I61 PolarHBondContact O-N 3.33Å; T59-V62 PolarHBondContact O-N 3.38Å; T59-Q63 HydrophobicContact CG2-CG 4.34Å; T59-Q63 WeakPolarHBondContact O-CB 3.13Å; T59-Q63 VanDerWaalsContact O-CG 3.24Å; T59-Q63 WeakPolarHBondContact O-CG 3.2Å; T59-Q63 PolarHBondContact O-N 2.97Å; T59-Y85 HydrophobicContact CG2-CD1 3.88Å; T59-Y85 HydrophobicContact CG2-CG 4.23Å |
| 60 | T | 90.1 | Very high | 90.5 | Very high | 107 Ų | 107 | 42.9 Ų | 42.9 | 66% | 0.656 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.9 | -38.4 | 178 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | L58 Q64 | L58-T60 VanDerWaalsContact C-N 3.31Å; L58-T60 PolarHBondContact O-N 2.88Å; T60-Q64 VanDerWaalsContact O-CB 3.29Å; T60-Q64 WeakPolarHBondContact O-CB 3.23Å; T60-Q64 PolarHBondContact O-N 3.49Å |
| 61 | I | 91.9 | Very high | 90.2 | Very high | 20 Ų | 20 | 45 Ų | 45 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.1 | -43.6 | 178.4 | -72.6 | 176.2 | 0 | 0 | 0 | 110.5 | E24 F27 V36 L58 T59 Q64 I65 | E24-I61 HydrophobicContact CB-CD1 4.3Å; E24-I61 HydrophobicContact CG-CD1 3.72Å; F27-I61 HydrophobicContact CD1-CD1 4.12Å; F27-I61 HydrophobicContact CD1-CG1 4.13Å; F27-I61 HydrophobicContact CD1-CG2 3.67Å; F27-I61 HydrophobicContact CE1-CG1 4.47Å; F27-I61 HydrophobicContact CE1-CG2 3.87Å; F27-I61 HydrophobicContact CG-CG2 4.12Å; F27-I61 HydrophobicContact CZ-CG2 4.47Å; V36-I61 HydrophobicContact CG1-CG2 3.85Å; L58-I61 HydrophobicContact CB-CB 4.46Å; L58-I61 HydrophobicContact CD2-CD1 3.85Å; L58-I61 PolarHBondContact O-N 2.97Å; T59-I61 VanDerWaalsContact C-N 3.33Å; T59-I61 PolarHBondContact O-N 3.33Å; I61-Q64 PolarHBondContact O-N 3.49Å; I61-I65 HydrophobicContact CG2-CD1 3.68Å; I61-I65 HydrophobicContact CG2-CG1 4.34Å; I61-I65 WeakPolarHBondContact O-CB 3.22Å; I61-I65 VanDerWaalsContact O-CG1 3.29Å; I61-I65 WeakPolarHBondContact O-CG1 3.27Å; I61-I65 PolarHBondContact O-N 3.26Å |
| 62 | V | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 111 | L37 V40 L58 T59 Q64 I65 L66 F82 Y85 | L37-V62 HydrophobicContact CD1-CG1 4.03Å; L37-V62 HydrophobicContact CD1-CG2 4.3Å; V40-V62 HydrophobicContact CB-CG2 4.05Å; V40-V62 HydrophobicContact CG1-CG2 3.77Å; V40-V62 HydrophobicContact CG2-CG2 3.94Å; L58-V62 PolarHBondContact O-N 3.11Å; T59-V62 PolarHBondContact O-N 3.38Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 2.95Å; V62-I65 PolarHBondContact O-N 2.82Å; V62-L66 HydrophobicContact CG1-CD1 3.82Å; V62-L66 HydrophobicContact CG1-CG 4.4Å; V62-L66 WeakPolarHBondContact O-CG 3.31Å; V62-L66 PolarHBondContact O-N 3.22Å; V62-F82 HydrophobicContact CG1-CB 3.82Å; V62-F82 HydrophobicContact CG1-CD1 3.75Å; V62-F82 HydrophobicContact CG1-CD2 4.42Å; V62-F82 HydrophobicContact CG1-CE1 4.41Å; V62-F82 HydrophobicContact CG1-CG 3.74Å; V62-F82 HydrophobicContact CG2-CD1 4.33Å; V62-F82 HydrophobicContact CG2-CE1 4.28Å; V62-Y85 HydrophobicContact CB-CD1 3.86Å; V62-Y85 HydrophobicContact CB-CE1 4.26Å; V62-Y85 HydrophobicContact CG1-CD1 3.91Å; V62-Y85 HydrophobicContact CG2-CD1 4.13Å; V62-Y85 HydrophobicContact CG2-CE1 4.01Å |
| 63 | Q | 93.3 | Very high | 89.7 | Confident | 49 Ų | 49 | 48.3 Ų | 48.3 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 174.9 | -72.8 | 172 | -9.4 | 0 | 0 | 111.2 | T59 I65 L66 L67 Y85 F86 | T59-Q63 HydrophobicContact CG2-CG 4.34Å; T59-Q63 WeakPolarHBondContact O-CB 3.13Å; T59-Q63 VanDerWaalsContact O-CG 3.24Å; T59-Q63 WeakPolarHBondContact O-CG 3.2Å; T59-Q63 PolarHBondContact O-N 2.97Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 3.13Å; Q63-L66 PolarHBondContact O-N 3.25Å; Q63-L67 VanDerWaalsContact O-CB 3.24Å; Q63-L67 WeakPolarHBondContact O-CB 3.21Å; Q63-L67 WeakPolarHBondContact O-CD1 3.32Å; Q63-L67 VanDerWaalsContact O-CG 3.29Å; Q63-L67 WeakPolarHBondContact O-CG 3.38Å; Q63-L67 PolarHBondContact O-N 2.96Å; Q63-Y85 PolarHBondContact NE2-O 3.5Å; Q63-F86 HydrophobicContact CB-CE1 3.98Å; Q63-F86 HydrophobicContact CB-CZ 4.22Å; Q63-F86 HydrophobicContact CG-CD1 4.07Å; Q63-F86 HydrophobicContact CG-CE1 3.73Å; Q63-F86 HydrophobicContact CG-CZ 3.99Å |
| 64 | Q | 91.1 | Very high | 89.6 | Confident | 90 Ų | 90 | 45.8 Ų | 45.8 | 42% | 0.421 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.3 | -174 | -175.9 | 3.5 | 0 | 0 | 112.1 | T60 I61 V62 Y68 | T60-Q64 VanDerWaalsContact O-CB 3.29Å; T60-Q64 WeakPolarHBondContact O-CB 3.23Å; T60-Q64 PolarHBondContact O-N 3.49Å; I61-Q64 PolarHBondContact O-N 3.49Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 2.95Å; Q64-Y68 HydrophobicContact CB-CD2 4.42Å; Q64-Y68 HydrophobicContact CG-CD2 3.91Å; Q64-Y68 WeakPolarHBondContact O-CB 3.31Å; Q64-Y68 VanDerWaalsContact O-CD2 3.32Å; Q64-Y68 WeakPolarHBondContact O-CD2 3.32Å; Q64-Y68 PolarHBondContact O-N 2.78Å |
| 65 | I | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -54.8 | 179.2 | -77.3 | 168.1 | 0 | 0 | 0 | 110.2 | F27 A33 V36 I61 V62 Q63 L67 Y68 S69 L75 | F27-I65 HydrophobicContact CD2-CD1 4.34Å; F27-I65 HydrophobicContact CE1-CG1 4.44Å; F27-I65 HydrophobicContact CE2-CD1 3.88Å; F27-I65 HydrophobicContact CE2-CG1 3.81Å; F27-I65 HydrophobicContact CZ-CD1 4.06Å; F27-I65 HydrophobicContact CZ-CG1 3.64Å; A33-I65 HydrophobicContact CB-CG1 4.14Å; A33-I65 HydrophobicContact CB-CG2 3.88Å; V36-I65 HydrophobicContact CB-CD1 3.97Å; V36-I65 HydrophobicContact CG1-CD1 3.64Å; I61-I65 HydrophobicContact CG2-CD1 3.68Å; I61-I65 HydrophobicContact CG2-CG1 4.34Å; I61-I65 WeakPolarHBondContact O-CB 3.22Å; I61-I65 VanDerWaalsContact O-CG1 3.29Å; I61-I65 WeakPolarHBondContact O-CG1 3.27Å; I61-I65 PolarHBondContact O-N 3.26Å; V62-I65 PolarHBondContact O-N 2.82Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 3.13Å; I65-L67 PolarHBondContact O-N 3.22Å; I65-Y68 PolarHBondContact O-N 2.96Å; I65-S69 WeakPolarHBondContact CA-OG 3.2Å; I65-S69 WeakPolarHBondContact O-CB 3.29Å; I65-S69 PolarHBondContact O-N 3.45Å; I65-S69 PolarHBondContact O-OG 3.07Å; I65-L75 HydrophobicContact CG2-CD1 4.49Å; I65-L75 HydrophobicContact CG2-CD2 3.55Å |
| 66 | L | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.6 | -32.5 | -173.6 | -63.6 | 175.9 | 0 | 0 | 0 | 112.6 | L37 V62 Q63 L75 A79 F82 F86 V94 R97 L98 | L37-L66 HydrophobicContact CD2-CD2 3.89Å; V62-L66 HydrophobicContact CG1-CD1 3.82Å; V62-L66 HydrophobicContact CG1-CG 4.4Å; V62-L66 WeakPolarHBondContact O-CG 3.31Å; V62-L66 PolarHBondContact O-N 3.22Å; Q63-L66 PolarHBondContact O-N 3.25Å; L66-L75 HydrophobicContact CD2-CB 4.48Å; L66-L75 HydrophobicContact CD2-CD2 4.34Å; L66-A79 HydrophobicContact CD1-CB 4.38Å; L66-A79 HydrophobicContact CD2-CB 3.83Å; L66-F82 HydrophobicContact CD1-CB 4.02Å; L66-F86 HydrophobicContact CB-CZ 4Å; L66-F86 HydrophobicContact CD1-CE2 3.77Å; L66-F86 HydrophobicContact CD1-CZ 3.94Å; L66-V94 HydrophobicContact CB-CG1 4.05Å; L66-V94 HydrophobicContact CB-CG2 4.17Å; L66-R97 PolarHBondContact O-NH1 3.43Å; L66-L98 HydrophobicContact CB-CD1 4.48Å; L66-L98 HydrophobicContact CD2-CD1 3.83Å |
| 67 | L | 91.3 | Very high | 89.8 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -77.2 | -33.8 | 177.2 | -72.1 | 168.3 | 0 | 0 | 0 | 113.5 | Q63 I65 F86 Q93 V94 R97 | Q63-L67 VanDerWaalsContact O-CB 3.24Å; Q63-L67 WeakPolarHBondContact O-CB 3.21Å; Q63-L67 WeakPolarHBondContact O-CD1 3.32Å; Q63-L67 VanDerWaalsContact O-CG 3.29Å; Q63-L67 WeakPolarHBondContact O-CG 3.38Å; Q63-L67 PolarHBondContact O-N 2.96Å; I65-L67 PolarHBondContact O-N 3.22Å; L67-F86 HydrophobicContact CD1-CE1 4.06Å; L67-F86 HydrophobicContact CD2-CE1 4.46Å; L67-F86 HydrophobicContact CG-CE1 3.99Å; L67-Q93 HydrophobicContact CD2-CB 4.1Å; L67-Q93 HydrophobicContact CD2-CG 4.18Å; L67-V94 HydrophobicContact CD2-CG2 3.61Å; L67-V94 HydrophobicContact CG-CG2 4.03Å; L67-R97 WeakPolarHBondContact O-CD 3.4Å; L67-R97 PolarHBondContact O-NE 2.97Å |
| 68 | Y | 90.9 | Very high | 89.8 | Confident | 157 Ų | 157 | 44.9 Ų | 44.9 | 62% | 0.616 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -126.4 | -21.1 | -165.6 | -51.3 | -62.2 | 0 | 0 | 0 | 116.1 | Q64 I65 R97 | Q64-Y68 HydrophobicContact CB-CD2 4.42Å; Q64-Y68 HydrophobicContact CG-CD2 3.91Å; Q64-Y68 WeakPolarHBondContact O-CB 3.31Å; Q64-Y68 VanDerWaalsContact O-CD2 3.32Å; Q64-Y68 WeakPolarHBondContact O-CD2 3.32Å; Q64-Y68 PolarHBondContact O-N 2.78Å; I65-Y68 PolarHBondContact O-N 2.96Å; Y68-R97 VanDerWaalsContact C-NH2 3.34Å; Y68-R97 PolarHBondContact O-NH2 3.41Å |
| 69 | S | 90.6 | Very high | 89.8 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -83.1 | 141.1 | -177 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | A33 I65 R97 | A33-S69 VanDerWaalsContact CB-CB 3.41Å; A33-S69 WeakPolarHBondContact CB-OG 3.29Å; I65-S69 WeakPolarHBondContact CA-OG 3.2Å; I65-S69 WeakPolarHBondContact O-CB 3.29Å; I65-S69 PolarHBondContact O-N 3.45Å; I65-S69 PolarHBondContact O-OG 3.07Å; S69-R97 PolarHBondContact O-NH1 3.23Å; S69-R97 PolarHBondContact O-NH2 2.9Å |
| 70 | Q | 85.2 | Confident | 89.7 | Confident | 157 Ų | 157 | 42.8 Ų | 42.8 | 73% | 0.734 | 21% | 0.213 | S | C | * | . | P | Polyproline II helix | trans | -47 | 129.5 | -173.7 | -70.8 | -63.5 | -20.8 | 0 | 0 | 112.3 | D72 L75 | Q70-D72 PolarHBondContact O-N 3.19Å; Q70-L75 WeakPolarHBondContact O-CD1 3.31Å |
| 71 | P | 86.6 | Confident | 89.8 | Confident | 45 Ų | 45 | 37.8 Ų | 37.8 | 29% | 0.292 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 127.5 | 179.2 | -22.2 | 33.1 | 0 | 0 | 0 | 110.9 | R97 L98 | P71-R97 HydrophobicContact CG-CG 4.49Å; P71-L98 HydrophobicContact CB-CD2 3.75Å; P71-L98 HydrophobicContact CG-CD2 4.05Å |
| 72 | D | 84.4 | Confident | 89.9 | Confident | 47 Ų | 47 | 36.8 Ų | 36.8 | 25% | 0.251 | 18% | 0.177 | S | C | . | . | trans | -135.7 | 168.3 | 173.3 | 69.9 | 54.3 | 0 | 0 | 0 | 109.9 | Q70 T74 L75 R76 | Q70-D72 PolarHBondContact O-N 3.19Å; D72-T74 VanDerWaalsContact C-N 3.27Å; D72-T74 PolarHBondContact O-N 3.46Å; D72-T74 VanDerWaalsContact OD1-CA 3.3Å; D72-T74 WeakPolarHBondContact OD1-CA 3.31Å; D72-T74 VanDerWaalsContact OD1-CB 3.22Å; D72-T74 WeakPolarHBondContact OD1-CB 3.49Å; D72-T74 PolarHBondContact OD1-N 2.84Å; D72-L75 PolarHBondContact O-N 3.4Å; D72-L75 WeakPolarHBondContact OD1-CG 3.48Å; D72-L75 PolarHBondContact OD1-N 2.98Å; D72-L75 WeakPolarHBondContact OD2-CG 3.41Å; D72-R76 WeakPolarHBondContact O-CG 3.4Å; D72-R76 PolarHBondContact O-N 3.18Å | ||
| 73 | D | 83.2 | Confident | 89.7 | Confident | 81 Ų | 81 | 41.5 Ų | 41.5 | 43% | 0.433 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68 | -28.4 | -175.4 | -63.6 | -30 | 0 | 0 | 0 | 112.8 | R76 A77 I235 | D73-R76 PolarHBondContact O-N 3.18Å; D73-R76 IonicContact OD1-CZ 3.93Å; D73-R76 IonicContact OD1-NH1 2.74Å; D73-R76 PolarHBondContact OD1-NH1 3.41Å; D73-A77 VanDerWaalsContact O-CB 3.31Å; D73-A77 WeakPolarHBondContact O-CB 3.23Å; D73-A77 PolarHBondContact O-N 3.31Å; D73-I235 HydrophobicContact CB-CD1 3.94Å |
| 74 | T | 85.7 | Confident | 89.4 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.8 | -44.6 | 175.2 | -56.8 | 0 | 0 | 0 | 0 | 110.2 | A34 Q38 D72 A77 L78 | A34-T74 HydrophobicContact CB-CG2 4.28Å; Q38-T74 HydrophobicContact CG-CG2 3.83Å; D72-T74 VanDerWaalsContact C-N 3.27Å; D72-T74 PolarHBondContact O-N 3.46Å; D72-T74 VanDerWaalsContact OD1-CA 3.3Å; D72-T74 WeakPolarHBondContact OD1-CA 3.31Å; D72-T74 VanDerWaalsContact OD1-CB 3.22Å; D72-T74 WeakPolarHBondContact OD1-CB 3.49Å; D72-T74 PolarHBondContact OD1-N 2.84Å; T74-A77 PolarHBondContact O-N 2.81Å; T74-L78 HydrophobicContact CG2-CD1 3.91Å; T74-L78 HydrophobicContact CG2-CG 4.45Å; T74-L78 WeakPolarHBondContact O-CB 3.39Å; T74-L78 WeakPolarHBondContact O-CG 3.38Å; T74-L78 PolarHBondContact O-N 2.92Å |
| 75 | L | 89.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 174.7 | -62.5 | -176.4 | 0 | 0 | 0 | 110.7 | L37 I65 L66 Q70 D72 L78 A79 L98 | L37-L75 HydrophobicContact CB-CD2 4.13Å; L37-L75 HydrophobicContact CD2-CD2 3.43Å; L37-L75 VanDerWaalsContact CD2-CD2 3.43Å; L37-L75 HydrophobicContact CG-CD2 4.37Å; I65-L75 HydrophobicContact CG2-CD1 4.49Å; I65-L75 HydrophobicContact CG2-CD2 3.55Å; L66-L75 HydrophobicContact CD2-CB 4.48Å; L66-L75 HydrophobicContact CD2-CD2 4.34Å; Q70-L75 WeakPolarHBondContact O-CD1 3.31Å; D72-L75 PolarHBondContact O-N 3.4Å; D72-L75 WeakPolarHBondContact OD1-CG 3.48Å; D72-L75 PolarHBondContact OD1-N 2.98Å; D72-L75 WeakPolarHBondContact OD2-CG 3.41Å; L75-L78 PolarHBondContact O-N 3.28Å; L75-A79 WeakPolarHBondContact O-CA 3.42Å; L75-A79 WeakPolarHBondContact O-CB 3.47Å; L75-A79 PolarHBondContact O-N 2.92Å; L75-L98 HydrophobicContact CB-CD1 4.43Å; L75-L98 HydrophobicContact CB-CD2 4.35Å; L75-L98 HydrophobicContact CD1-CD2 4.44Å |
| 76 | R | 89.4 | Confident | 89.2 | Confident | 73 Ų | 73 | 40.7 Ų | 40.7 | 28% | 0.275 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 177.2 | -71.4 | 177.3 | -172 | 128 | 2.2 | 112.3 | D72 D73 P80 L98 F99 Y108 | D72-R76 WeakPolarHBondContact O-CG 3.4Å; D72-R76 PolarHBondContact O-N 3.18Å; D73-R76 PolarHBondContact O-N 3.18Å; D73-R76 IonicContact OD1-CZ 3.93Å; D73-R76 IonicContact OD1-NH1 2.74Å; D73-R76 PolarHBondContact OD1-NH1 3.41Å; R76-P80 VanDerWaalsContact O-CD 3.31Å; R76-P80 WeakPolarHBondContact O-CD 3.38Å; R76-L98 HydrophobicContact CG-CB 4.41Å; R76-L98 PolarHBondContact NE-O 3.24Å; R76-F99 HydrophobicContact CB-CE1 3.98Å; R76-F99 HydrophobicContact CB-CZ 4.44Å; R76-F99 HydrophobicContact CG-CD1 4.5Å; R76-F99 HydrophobicContact CG-CE1 4.3Å; R76-F99 WeakPolarHBondContact O-CE1 3.35Å; R76-F99 VanDerWaalsContact O-CZ 3.3Å; R76-F99 WeakPolarHBondContact O-CZ 3.32Å; R76-Y108 HydrophobicContact CB-CD1 4.45Å; R76-Y108 HydrophobicContact CB-CE1 3.85Å; R76-Y108 WeakPolarHBondContact O-CD1 3.45Å |
| 77 | A | 87.2 | Confident | 88.5 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.3 | -38 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D73 T74 L231 | D73-A77 VanDerWaalsContact O-CB 3.31Å; D73-A77 WeakPolarHBondContact O-CB 3.23Å; D73-A77 PolarHBondContact O-N 3.31Å; T74-A77 PolarHBondContact O-N 2.81Å; A77-L231 HydrophobicContact CB-CD1 3.45Å; A77-L231 VanDerWaalsContact CB-CD1 3.45Å; A77-L231 HydrophobicContact CB-CG 4.28Å |
| 78 | L | 91.5 | Very high | 87.5 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -91.7 | -26.9 | -175.9 | -63.3 | -176.7 | 0 | 0 | 0 | 114.1 | L37 Q38 F41 T74 L75 P80 F81 F82 | L37-L78 HydrophobicContact CD2-CB 3.74Å; L37-L78 HydrophobicContact CD2-CD1 4.36Å; L37-L78 HydrophobicContact CG-CB 4.28Å; L37-L78 HydrophobicContact CG-CD1 4.32Å; Q38-L78 HydrophobicContact CG-CD1 3.7Å; F41-L78 HydrophobicContact CB-CD1 4.24Å; F41-L78 HydrophobicContact CB-CD2 4.49Å; F41-L78 HydrophobicContact CD1-CD2 3.61Å; F41-L78 HydrophobicContact CD2-CD2 4.33Å; F41-L78 HydrophobicContact CE1-CD2 3.83Å; F41-L78 HydrophobicContact CG-CD2 3.89Å; F41-L78 HydrophobicContact CZ-CD2 4.3Å; T74-L78 HydrophobicContact CG2-CD1 3.91Å; T74-L78 HydrophobicContact CG2-CG 4.45Å; T74-L78 WeakPolarHBondContact O-CB 3.39Å; T74-L78 WeakPolarHBondContact O-CG 3.38Å; T74-L78 PolarHBondContact O-N 2.92Å; L75-L78 PolarHBondContact O-N 3.28Å; L78-P80 VanDerWaalsContact C-N 3.31Å; L78-P80 VanDerWaalsContact O-N 3.17Å; L78-F81 HydrophobicContact CD2-CD2 4.4Å; L78-F81 HydrophobicContact CD2-CE2 4.47Å; L78-F81 WeakPolarHBondContact O-CB 3.39Å; L78-F81 PolarHBondContact O-N 3.31Å; L78-F81 VanDerWaalsContact O-N 3.08Å; L78-F82 HydrophobicContact CB-CE2 4.3Å; L78-F82 VanDerWaalsContact O-CD2 3.29Å; L78-F82 WeakPolarHBondContact O-CD2 3.48Å |
| 79 | A | 91.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -49.5 | -43.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L66 L75 F81 F82 W91 L98 F99 | L66-A79 HydrophobicContact CD1-CB 4.38Å; L66-A79 HydrophobicContact CD2-CB 3.83Å; L75-A79 WeakPolarHBondContact O-CA 3.42Å; L75-A79 WeakPolarHBondContact O-CB 3.47Å; L75-A79 PolarHBondContact O-N 2.92Å; A79-F81 PolarHBondContact O-N 3Å; A79-F81 VanDerWaalsContact O-N 3.16Å; A79-F82 PolarHBondContact O-N 3.4Å; A79-W91 HydrophobicContact CB-CH2 4.4Å; A79-W91 WeakPolarHBondContact O-CH2 3.48Å; A79-L98 HydrophobicContact CB-CD1 3.84Å; A79-F99 HydrophobicContact CB-CE2 4.2Å; A79-F99 HydrophobicContact CB-CZ 4.07Å |
| 80 | P | 90.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -64.8 | -22.8 | -175.4 | -20.5 | 33.7 | 0 | 0 | 0 | 113.3 | R76 L78 F82 F99 Y105 I112 K116 | R76-P80 VanDerWaalsContact O-CD 3.31Å; R76-P80 WeakPolarHBondContact O-CD 3.38Å; L78-P80 VanDerWaalsContact C-N 3.31Å; L78-P80 VanDerWaalsContact O-N 3.17Å; P80-F82 PolarHBondContact O-N 3.25Å; P80-F99 HydrophobicContact CG-CZ 4.05Å; P80-Y105 HydrophobicContact CB-CE2 3.86Å; P80-Y105 HydrophobicContact CG-CD2 4.39Å; P80-Y105 HydrophobicContact CG-CE2 4Å; P80-I112 HydrophobicContact CB-CD1 3.76Å; P80-I112 HydrophobicContact CG-CD1 4.42Å; P80-K116 WeakPolarHBondContact O-CE 3.38Å; P80-K116 PolarHBondContact O-NZ 3.08Å |
| 81 | F | 91.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -69 | -19.6 | 172.2 | -65.2 | -76.6 | 0 | 0 | 0 | 113 | F41 L78 A79 I112 K116 L119 F120 L170 | F41-F81 HydrophobicContact CD2-CB 4.19Å; F41-F81 HydrophobicContact CD2-CD2 4.14Å; F41-F81 HydrophobicContact CD2-CG 4.16Å; F41-F81 HydrophobicContact CE2-CB 3.96Å; F41-F81 AromaticContact CE2-CD1 3.79Å; F41-F81 HydrophobicContact CE2-CD1 3.79Å; F41-F81 AromaticContact CE2-CD2 3.47Å; F41-F81 HydrophobicContact CE2-CD2 3.47Å; F41-F81 VanDerWaalsContact CE2-CD2 3.47Å; F41-F81 HydrophobicContact CE2-CE1 4.05Å; F41-F81 AromaticContact CE2-CE2 3.78Å; F41-F81 HydrophobicContact CE2-CE2 3.78Å; F41-F81 AromaticContact CE2-CG 3.47Å; F41-F81 HydrophobicContact CE2-CG 3.47Å; F41-F81 VanDerWaalsContact CE2-CG 3.47Å; F41-F81 HydrophobicContact CE2-CZ 4.04Å; F41-F81 HydrophobicContact CZ-CD1 4.41Å; F41-F81 AromaticContact CZ-CD2 3.92Å; F41-F81 HydrophobicContact CZ-CD2 3.92Å; F41-F81 HydrophobicContact CZ-CE1 4.21Å; F41-F81 AromaticContact CZ-CE2 3.72Å; F41-F81 HydrophobicContact CZ-CE2 3.72Å; F41-F81 HydrophobicContact CZ-CG 4.25Å; F41-F81 AromaticContact CZ-CZ 3.86Å; F41-F81 HydrophobicContact CZ-CZ 3.86Å; L78-F81 HydrophobicContact CD2-CD2 4.4Å; L78-F81 HydrophobicContact CD2-CE2 4.47Å; L78-F81 WeakPolarHBondContact O-CB 3.39Å; L78-F81 PolarHBondContact O-N 3.31Å; L78-F81 VanDerWaalsContact O-N 3.08Å; A79-F81 PolarHBondContact O-N 3Å; A79-F81 VanDerWaalsContact O-N 3.16Å; F81-I112 HydrophobicContact CD1-CD1 3.89Å; F81-I112 HydrophobicContact CD2-CD1 3.76Å; F81-I112 HydrophobicContact CE1-CB 4.27Å; F81-I112 HydrophobicContact CE1-CD1 3.69Å; F81-I112 HydrophobicContact CE1-CG1 4.45Å; F81-I112 HydrophobicContact CE2-CB 4.45Å; F81-I112 HydrophobicContact CE2-CD1 3.52Å; F81-I112 HydrophobicContact CE2-CG2 4.23Å; F81-I112 HydrophobicContact CG-CD1 3.95Å; F81-I112 HydrophobicContact CZ-CB 3.85Å; F81-I112 HydrophobicContact CZ-CD1 3.5Å; F81-I112 HydrophobicContact CZ-CG1 4.27Å; F81-I112 HydrophobicContact CZ-CG2 3.96Å; F81-K116 HydrophobicContact CD1-CG 4.18Å; F81-K116 HydrophobicContact CE1-CG 4.26Å; F81-L119 HydrophobicContact CD1-CD2 3.48Å; F81-L119 VanDerWaalsContact CD1-CD2 3.48Å; F81-L119 HydrophobicContact CE1-CD2 4.03Å; F81-L119 HydrophobicContact CG-CD2 4.35Å; F81-F120 WeakPolarHBondContact O-CZ 3.29Å; F81-L170 HydrophobicContact CE1-CD1 4.33Å; F81-L170 HydrophobicContact CE1-CD2 4.36Å; F81-L170 HydrophobicContact CZ-CD2 3.78Å |
| 82 | F | 93 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -102.6 | 12.2 | -177.5 | -61.7 | -78.6 | 0 | 0 | 0 | 113.6 | L37 V40 F41 L44 V62 L66 L78 A79 P80 S84 Y85 F86 | L37-F82 HydrophobicContact CD1-CD2 3.8Å; L37-F82 HydrophobicContact CD1-CE2 3.48Å; L37-F82 VanDerWaalsContact CD1-CE2 3.48Å; L37-F82 HydrophobicContact CD1-CG 4.46Å; L37-F82 HydrophobicContact CD1-CZ 3.9Å; L37-F82 HydrophobicContact CD2-CE2 4.37Å; L37-F82 HydrophobicContact CG-CD2 4.41Å; L37-F82 HydrophobicContact CG-CE2 3.82Å; L37-F82 HydrophobicContact CG-CZ 4.4Å; V40-F82 HydrophobicContact CB-CE1 4.19Å; V40-F82 HydrophobicContact CB-CZ 4.22Å; V40-F82 HydrophobicContact CG1-CE1 3.81Å; V40-F82 HydrophobicContact CG1-CZ 4.33Å; F41-F82 HydrophobicContact CB-CE2 4.31Å; F41-F82 HydrophobicContact CB-CZ 3.94Å; F41-F82 HydrophobicContact CD2-CE2 4.48Å; F41-F82 HydrophobicContact CD2-CZ 4.39Å; L44-F82 HydrophobicContact CD1-CD1 3.82Å; L44-F82 HydrophobicContact CD1-CE1 3.34Å; L44-F82 HydrophobicContact CD1-CZ 3.82Å; L44-F82 HydrophobicContact CG-CE1 4.13Å; V62-F82 HydrophobicContact CG1-CB 3.82Å; V62-F82 HydrophobicContact CG1-CD1 3.75Å; V62-F82 HydrophobicContact CG1-CD2 4.42Å; V62-F82 HydrophobicContact CG1-CE1 4.41Å; V62-F82 HydrophobicContact CG1-CG 3.74Å; V62-F82 HydrophobicContact CG2-CD1 4.33Å; V62-F82 HydrophobicContact CG2-CE1 4.28Å; L66-F82 HydrophobicContact CD1-CB 4.02Å; L78-F82 HydrophobicContact CB-CE2 4.3Å; L78-F82 VanDerWaalsContact O-CD2 3.29Å; L78-F82 WeakPolarHBondContact O-CD2 3.48Å; A79-F82 PolarHBondContact O-N 3.4Å; P80-F82 PolarHBondContact O-N 3.25Å; F82-S84 PolarHBondContact O-N 3.04Å; F82-S84 VanDerWaalsContact O-N 3.16Å; F82-Y85 HydrophobicContact CB-CG 4.47Å; F82-Y85 HydrophobicContact CD1-CD1 4.19Å; F82-Y85 HydrophobicContact CD1-CD2 4.24Å; F82-Y85 HydrophobicContact CD1-CE1 4.08Å; F82-Y85 HydrophobicContact CD1-CE2 4.11Å; F82-Y85 HydrophobicContact CD1-CG 4.31Å; F82-Y85 HydrophobicContact CE1-CE1 4.5Å; F82-Y85 VanDerWaalsContact O-CB 3.27Å; F82-Y85 WeakPolarHBondContact O-CB 3.01Å; F82-Y85 PolarHBondContact O-N 3.3Å; F82-F86 WeakPolarHBondContact O-CD2 3.42Å |
| 83 | K | 89.4 | Confident | 86.8 | Confident | 99 Ų | 99 | 47.1 Ų | 47.1 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -52.8 | -39.4 | 178.4 | -178.2 | 178.4 | -177.4 | 178.4 | 0 | 112.6 | Y85 F86 W91 | K83-Y85 PolarHBondContact O-N 2.85Å; K83-F86 PolarHBondContact O-N 3.31Å; K83-W91 HydrophobicContact CB-CD2 4.48Å; K83-W91 HydrophobicContact CB-CH2 4.18Å; K83-W91 HydrophobicContact CB-CZ2 3.97Å; K83-W91 HydrophobicContact CG-CD2 4.09Å; K83-W91 HydrophobicContact CG-CG 4.38Å; K83-W91 HydrophobicContact CG-CZ2 4.14Å |
| 84 | S | 88 | Confident | 87.2 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 60% | 0.601 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -65.6 | -14.6 | 179.1 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | F82 F86 | F82-S84 PolarHBondContact O-N 3.04Å; F82-S84 VanDerWaalsContact O-N 3.16Å; S84-F86 PolarHBondContact O-N 3.17Å |
| 85 | Y | 90.6 | Very high | 87.3 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -77.9 | -11.5 | 177.7 | -77.3 | -139.2 | 0 | 0 | 0 | 111.7 | L44 M57 T59 V62 Q63 F82 K83 | L44-Y85 HydrophobicContact CD2-CE2 4.33Å; M57-Y85 WeakPolarHBondContact O-CE1 3.31Å; M57-Y85 PolarHBondContact O-OH 3.03Å; T59-Y85 HydrophobicContact CG2-CD1 3.88Å; T59-Y85 HydrophobicContact CG2-CG 4.23Å; V62-Y85 HydrophobicContact CB-CD1 3.86Å; V62-Y85 HydrophobicContact CB-CE1 4.26Å; V62-Y85 HydrophobicContact CG1-CD1 3.91Å; V62-Y85 HydrophobicContact CG2-CD1 4.13Å; V62-Y85 HydrophobicContact CG2-CE1 4.01Å; Q63-Y85 PolarHBondContact NE2-O 3.5Å; F82-Y85 HydrophobicContact CB-CG 4.47Å; F82-Y85 HydrophobicContact CD1-CD1 4.19Å; F82-Y85 HydrophobicContact CD1-CD2 4.24Å; F82-Y85 HydrophobicContact CD1-CE1 4.08Å; F82-Y85 HydrophobicContact CD1-CE2 4.11Å; F82-Y85 HydrophobicContact CD1-CG 4.31Å; F82-Y85 HydrophobicContact CE1-CE1 4.5Å; F82-Y85 VanDerWaalsContact O-CB 3.27Å; F82-Y85 WeakPolarHBondContact O-CB 3.01Å; F82-Y85 PolarHBondContact O-N 3.3Å; K83-Y85 PolarHBondContact O-N 2.85Å |
| 86 | F | 89.1 | Confident | 87.1 | Confident | 19 Ų | 19 | 47 Ų | 47 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | trans | -107.4 | 127.5 | -179.7 | -63.5 | -94.6 | 0 | 0 | 0 | 110.3 | Q63 L66 L67 F82 K83 S84 D90 W91 V94 | Q63-F86 HydrophobicContact CB-CE1 3.98Å; Q63-F86 HydrophobicContact CB-CZ 4.22Å; Q63-F86 HydrophobicContact CG-CD1 4.07Å; Q63-F86 HydrophobicContact CG-CE1 3.73Å; Q63-F86 HydrophobicContact CG-CZ 3.99Å; L66-F86 HydrophobicContact CB-CZ 4Å; L66-F86 HydrophobicContact CD1-CE2 3.77Å; L66-F86 HydrophobicContact CD1-CZ 3.94Å; L67-F86 HydrophobicContact CD1-CE1 4.06Å; L67-F86 HydrophobicContact CD2-CE1 4.46Å; L67-F86 HydrophobicContact CG-CE1 3.99Å; F82-F86 WeakPolarHBondContact O-CD2 3.42Å; K83-F86 PolarHBondContact O-N 3.31Å; S84-F86 PolarHBondContact O-N 3.17Å; F86-D90 HydrophobicContact CD1-CB 3.9Å; F86-W91 HydrophobicContact CB-CB 4.09Å; F86-W91 HydrophobicContact CB-CE3 4.48Å; F86-W91 AromaticContact CD2-CE3 3.49Å; F86-W91 HydrophobicContact CD2-CE3 3.49Å; F86-W91 VanDerWaalsContact CD2-CE3 3.49Å; F86-W91 AromaticContact CD2-CZ3 3.88Å; F86-W91 HydrophobicContact CD2-CZ3 3.88Å; F86-W91 AromaticContact CE2-CE3 3.82Å; F86-W91 HydrophobicContact CE2-CE3 3.82Å; F86-W91 AromaticContact CE2-CZ3 3.82Å; F86-W91 HydrophobicContact CE2-CZ3 3.82Å; F86-W91 HydrophobicContact CG-CE3 4Å; F86-V94 HydrophobicContact CD1-CG2 4.48Å; F86-V94 HydrophobicContact CE1-CG2 3.81Å; F86-V94 HydrophobicContact CZ-CG2 3.82Å | ||
| 87 | S | 78.4 | Confident | 87 | Confident | 102 Ų | 102 | 46.8 Ų | 46.8 | 71% | 0.713 | 28% | 0.275 | S | S | * | . | trans | -105.7 | 125.7 | 170 | 56 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 88 | G | 70.1 | Confident | 87.1 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 73% | 0.732 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 88.2 | -144.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 89 | G | 75.9 | Confident | 87 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | W91 K92 | G89-W91 PolarHBondContact O-N 3.39Å; G89-K92 VanDerWaalsContact O-CB 3.3Å; G89-K92 WeakPolarHBondContact O-CB 3.3Å; G89-K92 PolarHBondContact O-N 3.4Å |
| 90 | D | 85.1 | Confident | 86.4 | Confident | 78 Ų | 78 | 49.5 Ų | 49.5 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.9 | -30.7 | -173.3 | -66.3 | -12.2 | 0 | 0 | 0 | 112.8 | F86 K92 Q93 V94 | F86-D90 HydrophobicContact CD1-CB 3.9Å; D90-K92 VanDerWaalsContact C-N 3.25Å; D90-K92 PolarHBondContact O-N 3.35Å; D90-Q93 WeakPolarHBondContact O-CB 3.18Å; D90-Q93 PolarHBondContact O-N 3.35Å; D90-Q93 VanDerWaalsContact O-N 3.1Å; D90-V94 PolarHBondContact O-N 2.73Å |
| 91 | W | 90.4 | Very high | 85.8 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 6% | 0.064 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -35.1 | 175.5 | -175.8 | -112.4 | 0 | 0 | 0 | 112.7 | A79 K83 F86 G89 Q93 V94 M95 Y105 | A79-W91 HydrophobicContact CB-CH2 4.4Å; A79-W91 WeakPolarHBondContact O-CH2 3.48Å; K83-W91 HydrophobicContact CB-CD2 4.48Å; K83-W91 HydrophobicContact CB-CH2 4.18Å; K83-W91 HydrophobicContact CB-CZ2 3.97Å; K83-W91 HydrophobicContact CG-CD2 4.09Å; K83-W91 HydrophobicContact CG-CG 4.38Å; K83-W91 HydrophobicContact CG-CZ2 4.14Å; F86-W91 HydrophobicContact CB-CB 4.09Å; F86-W91 HydrophobicContact CB-CE3 4.48Å; F86-W91 AromaticContact CD2-CE3 3.49Å; F86-W91 HydrophobicContact CD2-CE3 3.49Å; F86-W91 VanDerWaalsContact CD2-CE3 3.49Å; F86-W91 AromaticContact CD2-CZ3 3.88Å; F86-W91 HydrophobicContact CD2-CZ3 3.88Å; F86-W91 AromaticContact CE2-CE3 3.82Å; F86-W91 HydrophobicContact CE2-CE3 3.82Å; F86-W91 AromaticContact CE2-CZ3 3.82Å; F86-W91 HydrophobicContact CE2-CZ3 3.82Å; F86-W91 HydrophobicContact CG-CE3 4Å; G89-W91 PolarHBondContact O-N 3.39Å; W91-Q93 PolarHBondContact O-N 3.44Å; W91-V94 HydrophobicContact CE3-CB 3.99Å; W91-V94 HydrophobicContact CE3-CG1 4.14Å; W91-V94 HydrophobicContact CE3-CG2 4.3Å; W91-V94 HydrophobicContact CH2-CG1 4.31Å; W91-V94 HydrophobicContact CZ3-CB 4.18Å; W91-V94 HydrophobicContact CZ3-CG1 3.79Å; W91-V94 WeakPolarHBondContact O-CB 3.42Å; W91-V94 PolarHBondContact O-N 2.99Å; W91-V94 VanDerWaalsContact O-N 3.12Å; W91-M95 HydrophobicContact CD2-CG 4.48Å; W91-M95 HydrophobicContact CG-CG 4.49Å; W91-M95 HydrophobicContact CZ2-CG 4.4Å; W91-M95 PolarHBondContact NE1-SD 3.08Å; W91-M95 VanDerWaalsContact NE1-SD 3.36Å; W91-M95 WeakPolarHBondContact O-CG 3.4Å; W91-M95 PolarHBondContact O-N 3.37Å; W91-Y105 HydrophobicContact CH2-CE2 4.38Å; W91-Y105 HydrophobicContact CZ2-CD2 4.1Å; W91-Y105 AromaticContact CZ2-CE2 3.43Å; W91-Y105 HydrophobicContact CZ2-CE2 3.43Å; W91-Y105 VanDerWaalsContact CZ2-CE2 3.43Å; W91-Y105 AromaticContact CZ2-CZ 3.86Å |
| 92 | K | 85.8 | Confident | 85.1 | Confident | 149 Ų | 149 | 59.4 Ų | 59.4 | 65% | 0.648 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.6 | -37.3 | 177.1 | -165.9 | 174.3 | -176.3 | 173.6 | 0 | 111 | G89 D90 M95 T96 | G89-K92 VanDerWaalsContact O-CB 3.3Å; G89-K92 WeakPolarHBondContact O-CB 3.3Å; G89-K92 PolarHBondContact O-N 3.4Å; D90-K92 VanDerWaalsContact C-N 3.25Å; D90-K92 PolarHBondContact O-N 3.35Å; K92-M95 HydrophobicContact CB-CE 4.36Å; K92-M95 HydrophobicContact CG-CE 4.37Å; K92-M95 PolarHBondContact O-N 2.8Å; K92-T96 PolarHBondContact O-N 3.48Å; K92-T96 PolarHBondContact O-OG1 2.88Å; K92-T96 VanDerWaalsContact O-OG1 3.14Å |
| 93 | Q | 87.3 | Confident | 84.2 | Confident | 100 Ų | 100 | 65.7 Ų | 65.7 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 174.7 | -171.4 | 176.7 | 11 | 0 | 0 | 111.7 | L67 D90 W91 R97 | L67-Q93 HydrophobicContact CD2-CB 4.1Å; L67-Q93 HydrophobicContact CD2-CG 4.18Å; D90-Q93 WeakPolarHBondContact O-CB 3.18Å; D90-Q93 PolarHBondContact O-N 3.35Å; D90-Q93 VanDerWaalsContact O-N 3.1Å; W91-Q93 PolarHBondContact O-N 3.44Å; Q93-R97 WeakPolarHBondContact O-CB 3.41Å; Q93-R97 PolarHBondContact O-N 3.24Å |
| 94 | V | 90.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | L66 L67 F86 D90 W91 R97 L98 | L66-V94 HydrophobicContact CB-CG1 4.05Å; L66-V94 HydrophobicContact CB-CG2 4.17Å; L67-V94 HydrophobicContact CD2-CG2 3.61Å; L67-V94 HydrophobicContact CG-CG2 4.03Å; F86-V94 HydrophobicContact CD1-CG2 4.48Å; F86-V94 HydrophobicContact CE1-CG2 3.81Å; F86-V94 HydrophobicContact CZ-CG2 3.82Å; D90-V94 PolarHBondContact O-N 2.73Å; W91-V94 HydrophobicContact CE3-CB 3.99Å; W91-V94 HydrophobicContact CE3-CG1 4.14Å; W91-V94 HydrophobicContact CE3-CG2 4.3Å; W91-V94 HydrophobicContact CH2-CG1 4.31Å; W91-V94 HydrophobicContact CZ3-CB 4.18Å; W91-V94 HydrophobicContact CZ3-CG1 3.79Å; W91-V94 WeakPolarHBondContact O-CB 3.42Å; W91-V94 PolarHBondContact O-N 2.99Å; W91-V94 VanDerWaalsContact O-N 3.12Å; V94-R97 PolarHBondContact O-N 3.16Å; V94-L98 HydrophobicContact CG1-CD1 3.64Å; V94-L98 HydrophobicContact CG1-CG 4.19Å; V94-L98 WeakPolarHBondContact O-CB 3.44Å; V94-L98 PolarHBondContact O-N 3Å |
| 95 | M | 87.4 | Confident | 83.4 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.7 | -52.9 | 178.8 | -71.1 | -169 | -63.2 | 0 | 0 | 111.8 | W91 K92 R97 F99 G100 Y105 | W91-M95 HydrophobicContact CD2-CG 4.48Å; W91-M95 HydrophobicContact CG-CG 4.49Å; W91-M95 HydrophobicContact CZ2-CG 4.4Å; W91-M95 PolarHBondContact NE1-SD 3.08Å; W91-M95 VanDerWaalsContact NE1-SD 3.36Å; W91-M95 WeakPolarHBondContact O-CG 3.4Å; W91-M95 PolarHBondContact O-N 3.37Å; K92-M95 HydrophobicContact CB-CE 4.36Å; K92-M95 HydrophobicContact CG-CE 4.37Å; K92-M95 PolarHBondContact O-N 2.8Å; M95-R97 VanDerWaalsContact C-N 3.26Å; M95-R97 PolarHBondContact O-N 3.36Å; M95-F99 WeakPolarHBondContact O-CB 3.47Å; M95-F99 PolarHBondContact O-N 2.91Å; M95-F99 VanDerWaalsContact O-N 3.07Å; M95-G100 PolarHBondContact O-N 2.78Å; M95-Y105 HydrophobicContact CG-CD1 4.23Å; M95-Y105 HydrophobicContact CG-CD2 4.24Å; M95-Y105 HydrophobicContact CG-CG 3.93Å; M95-Y105 HydrophobicContact SD-CD1 3.47Å; M95-Y105 WeakPolarHBondContact SD-CD1 3.3Å; M95-Y105 HydrophobicContact SD-CD2 4.48Å; M95-Y105 HydrophobicContact SD-CE1 3.91Å; M95-Y105 HydrophobicContact SD-CG 3.8Å |
| 96 | T | 85.4 | Confident | 82.9 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 178 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | K92 G100 | K92-T96 PolarHBondContact O-N 3.48Å; K92-T96 PolarHBondContact O-OG1 2.88Å; K92-T96 VanDerWaalsContact O-OG1 3.14Å; T96-G100 WeakPolarHBondContact O-CA 3.24Å; T96-G100 PolarHBondContact O-N 3.33Å; T96-G100 VanDerWaalsContact O-N 3.11Å |
| 97 | R | 88.5 | Confident | 82.2 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 26% | 0.26 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -76.9 | -48.5 | -174.5 | -178.8 | -179.8 | -179.1 | -84 | -12.8 | 113.9 | L66 L67 Y68 S69 P71 Q93 V94 M95 | L66-R97 PolarHBondContact O-NH1 3.43Å; L67-R97 WeakPolarHBondContact O-CD 3.4Å; L67-R97 PolarHBondContact O-NE 2.97Å; Y68-R97 VanDerWaalsContact C-NH2 3.34Å; Y68-R97 PolarHBondContact O-NH2 3.41Å; S69-R97 PolarHBondContact O-NH1 3.23Å; S69-R97 PolarHBondContact O-NH2 2.9Å; P71-R97 HydrophobicContact CG-CG 4.49Å; Q93-R97 WeakPolarHBondContact O-CB 3.41Å; Q93-R97 PolarHBondContact O-N 3.24Å; V94-R97 PolarHBondContact O-N 3.16Å; M95-R97 VanDerWaalsContact C-N 3.26Å; M95-R97 PolarHBondContact O-N 3.36Å |
| 98 | L | 89.1 | Confident | 82.3 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -83.5 | -35.3 | -174.6 | -67 | -177.7 | 0 | 0 | 0 | 112.1 | L66 P71 L75 R76 A79 V94 | L66-L98 HydrophobicContact CB-CD1 4.48Å; L66-L98 HydrophobicContact CD2-CD1 3.83Å; P71-L98 HydrophobicContact CB-CD2 3.75Å; P71-L98 HydrophobicContact CG-CD2 4.05Å; L75-L98 HydrophobicContact CB-CD1 4.43Å; L75-L98 HydrophobicContact CB-CD2 4.35Å; L75-L98 HydrophobicContact CD1-CD2 4.44Å; R76-L98 HydrophobicContact CG-CB 4.41Å; R76-L98 PolarHBondContact NE-O 3.24Å; A79-L98 HydrophobicContact CB-CD1 3.84Å; V94-L98 HydrophobicContact CG1-CD1 3.64Å; V94-L98 HydrophobicContact CG1-CG 4.19Å; V94-L98 WeakPolarHBondContact O-CB 3.44Å; V94-L98 PolarHBondContact O-N 3Å |
| 99 | F | 88.6 | Confident | 82.9 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -111.5 | -13 | -172.2 | -54.8 | -88.4 | 0 | 0 | 0 | 113.4 | R76 A79 P80 M95 N101 N104 Y105 Y108 | R76-F99 HydrophobicContact CB-CE1 3.98Å; R76-F99 HydrophobicContact CB-CZ 4.44Å; R76-F99 HydrophobicContact CG-CD1 4.5Å; R76-F99 HydrophobicContact CG-CE1 4.3Å; R76-F99 WeakPolarHBondContact O-CE1 3.35Å; R76-F99 VanDerWaalsContact O-CZ 3.3Å; R76-F99 WeakPolarHBondContact O-CZ 3.32Å; A79-F99 HydrophobicContact CB-CE2 4.2Å; A79-F99 HydrophobicContact CB-CZ 4.07Å; P80-F99 HydrophobicContact CG-CZ 4.05Å; M95-F99 WeakPolarHBondContact O-CB 3.47Å; M95-F99 PolarHBondContact O-N 2.91Å; M95-F99 VanDerWaalsContact O-N 3.07Å; F99-N101 PolarHBondContact O-N 3.35Å; F99-N104 HydrophobicContact CB-CB 3.93Å; F99-N104 VanDerWaalsContact O-CB 3.3Å; F99-N104 WeakPolarHBondContact O-CB 3.44Å; F99-N104 PolarHBondContact O-ND2 3.29Å; F99-Y105 HydrophobicContact CD2-CD2 4.22Å; F99-Y105 AromaticContact CE2-CD2 3.92Å; F99-Y105 HydrophobicContact CE2-CD2 3.92Å; F99-Y105 HydrophobicContact CZ-CD2 4.14Å; F99-Y108 AromaticContact CD1-CD2 4Å; F99-Y108 HydrophobicContact CD1-CD2 4Å; F99-Y108 HydrophobicContact CD1-CE2 4.34Å; F99-Y108 HydrophobicContact CD1-CG 4.27Å; F99-Y108 HydrophobicContact CE1-CD1 4.08Å; F99-Y108 AromaticContact CE1-CD2 3.92Å; F99-Y108 HydrophobicContact CE1-CD2 3.92Å; F99-Y108 HydrophobicContact CE1-CE2 4.41Å; F99-Y108 AromaticContact CE1-CG 3.71Å; F99-Y108 HydrophobicContact CE1-CG 3.71Å |
| 100 | G | 78.9 | Confident | 82.8 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 52% | 0.515 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 80.9 | -45.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M95 T96 | M95-G100 PolarHBondContact O-N 2.78Å; T96-G100 WeakPolarHBondContact O-CA 3.24Å; T96-G100 PolarHBondContact O-N 3.33Å; T96-G100 VanDerWaalsContact O-N 3.11Å |
| 101 | N | 77.9 | Confident | 82.4 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -144.2 | 167.1 | -179 | 66.1 | 52.2 | 0 | 0 | 0 | 112 | F99 K103 N104 Y105 | F99-N101 PolarHBondContact O-N 3.35Å; N101-K103 VanDerWaalsContact C-N 3.33Å; N101-K103 PolarHBondContact O-N 3.12Å; N101-K103 WeakPolarHBondContact OD1-CA 3.38Å; N101-K103 WeakPolarHBondContact OD1-CB 3.47Å; N101-K103 PolarHBondContact OD1-N 3.21Å; N101-K103 VanDerWaalsContact OD1-N 3.08Å; N101-N104 WeakPolarHBondContact OD1-CB 3.33Å; N101-N104 PolarHBondContact OD1-N 3.34Å; N101-Y105 PolarHBondContact O-N 2.9Å |
| 102 | E | 77.6 | Confident | 82 | Confident | 139 Ų | 139 | 55.7 Ų | 55.7 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.8 | -29.5 | -178.3 | -168.2 | 165.7 | -169.7 | 0 | 0 | 112.9 | Y105 H106 | E102-Y105 PolarHBondContact O-N 3.04Å; E102-H106 WeakPolarHBondContact O-CB 3.39Å; E102-H106 PolarHBondContact O-N 3.1Å |
| 103 | K | 74.9 | Confident | 81.6 | Confident | 131 Ų | 131 | 51.4 Ų | 51.4 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 177.2 | -174.2 | -178.2 | 178.6 | -177.2 | 0 | 111.7 | N101 H106 S107 | N101-K103 VanDerWaalsContact C-N 3.33Å; N101-K103 PolarHBondContact O-N 3.12Å; N101-K103 WeakPolarHBondContact OD1-CA 3.38Å; N101-K103 WeakPolarHBondContact OD1-CB 3.47Å; N101-K103 PolarHBondContact OD1-N 3.21Å; N101-K103 VanDerWaalsContact OD1-N 3.08Å; K103-H106 PolarHBondContact O-N 3.31Å; K103-S107 PolarHBondContact O-N 3.02Å |
| 104 | N | 75.6 | Confident | 81.2 | Confident | 67 Ų | 67 | 52 Ų | 52 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 177.2 | -72.8 | -3.7 | 0 | 0 | 0 | 111.2 | F99 N101 H106 S107 Y108 | F99-N104 HydrophobicContact CB-CB 3.93Å; F99-N104 VanDerWaalsContact O-CB 3.3Å; F99-N104 WeakPolarHBondContact O-CB 3.44Å; F99-N104 PolarHBondContact O-ND2 3.29Å; N101-N104 WeakPolarHBondContact OD1-CB 3.33Å; N101-N104 PolarHBondContact OD1-N 3.34Å; N104-H106 VanDerWaalsContact C-N 3.33Å; N104-S107 PolarHBondContact O-OG 3.14Å; N104-Y108 WeakPolarHBondContact O-CD2 3.48Å; N104-Y108 PolarHBondContact O-N 3.33Å |
| 105 | Y | 83.9 | Confident | 81 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 170.7 | 164.4 | -103.4 | 0 | 0 | 0 | 110.8 | P80 W91 M95 F99 N101 E102 S107 Y108 D109 | P80-Y105 HydrophobicContact CB-CE2 3.86Å; P80-Y105 HydrophobicContact CG-CD2 4.39Å; P80-Y105 HydrophobicContact CG-CE2 4Å; W91-Y105 HydrophobicContact CH2-CE2 4.38Å; W91-Y105 HydrophobicContact CZ2-CD2 4.1Å; W91-Y105 AromaticContact CZ2-CE2 3.43Å; W91-Y105 HydrophobicContact CZ2-CE2 3.43Å; W91-Y105 VanDerWaalsContact CZ2-CE2 3.43Å; W91-Y105 AromaticContact CZ2-CZ 3.86Å; M95-Y105 HydrophobicContact CG-CD1 4.23Å; M95-Y105 HydrophobicContact CG-CD2 4.24Å; M95-Y105 HydrophobicContact CG-CG 3.93Å; M95-Y105 HydrophobicContact SD-CD1 3.47Å; M95-Y105 WeakPolarHBondContact SD-CD1 3.3Å; M95-Y105 HydrophobicContact SD-CD2 4.48Å; M95-Y105 HydrophobicContact SD-CE1 3.91Å; M95-Y105 HydrophobicContact SD-CG 3.8Å; F99-Y105 HydrophobicContact CD2-CD2 4.22Å; F99-Y105 AromaticContact CE2-CD2 3.92Å; F99-Y105 HydrophobicContact CE2-CD2 3.92Å; F99-Y105 HydrophobicContact CZ-CD2 4.14Å; N101-Y105 PolarHBondContact O-N 2.9Å; E102-Y105 PolarHBondContact O-N 3.04Å; Y105-S107 VanDerWaalsContact C-N 3.31Å; Y105-S107 PolarHBondContact O-N 3.4Å; Y105-Y108 PolarHBondContact O-N 3.13Å; Y105-D109 HydrophobicContact CE1-CB 4.04Å; Y105-D109 WeakPolarHBondContact CE1-OD2 2.81Å; Y105-D109 HydrophobicContact CE2-CB 4.07Å; Y105-D109 WeakPolarHBondContact O-CB 3.21Å; Y105-D109 PolarHBondContact O-N 3.43Å; Y105-D109 PolarHBondContact OH-OD1 3.47Å; Y105-D109 PolarHBondContact OH-OD2 3.08Å |
| 106 | H | 80.3 | Confident | 80.9 | Confident | 87 Ų | 87 | 54.3 Ų | 54.3 | 40% | 0.403 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -31.3 | -177.2 | -164.3 | 63.1 | 0 | 0 | 0 | 113.1 | E102 K103 N104 D109 T110 | E102-H106 WeakPolarHBondContact O-CB 3.39Å; E102-H106 PolarHBondContact O-N 3.1Å; K103-H106 PolarHBondContact O-N 3.31Å; N104-H106 VanDerWaalsContact C-N 3.33Å; H106-D109 PolarHBondContact O-N 3Å; H106-T110 WeakPolarHBondContact O-CB 3.48Å; H106-T110 PolarHBondContact O-N 3.44Å; H106-T110 PolarHBondContact O-OG1 3.5Å |
| 107 | S | 75 | Confident | 80.9 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 174.1 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | K103 N104 Y105 A111 A238 | K103-S107 PolarHBondContact O-N 3.02Å; N104-S107 PolarHBondContact O-OG 3.14Å; Y105-S107 VanDerWaalsContact C-N 3.31Å; Y105-S107 PolarHBondContact O-N 3.4Å; S107-A111 WeakPolarHBondContact O-CB 3.4Å; S107-A111 PolarHBondContact O-N 2.76Å; S107-A111 VanDerWaalsContact O-N 3.1Å; S107-A238 PolarHBondContact OG-O 3.24Å |
| 108 | Y | 80.2 | Confident | 80.9 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 173.8 | -79 | -106.5 | 0 | 0 | 0 | 111.9 | R76 F99 N104 Y105 T110 A111 I235 A238 | R76-Y108 HydrophobicContact CB-CD1 4.45Å; R76-Y108 HydrophobicContact CB-CE1 3.85Å; R76-Y108 WeakPolarHBondContact O-CD1 3.45Å; F99-Y108 AromaticContact CD1-CD2 4Å; F99-Y108 HydrophobicContact CD1-CD2 4Å; F99-Y108 HydrophobicContact CD1-CE2 4.34Å; F99-Y108 HydrophobicContact CD1-CG 4.27Å; F99-Y108 HydrophobicContact CE1-CD1 4.08Å; F99-Y108 AromaticContact CE1-CD2 3.92Å; F99-Y108 HydrophobicContact CE1-CD2 3.92Å; F99-Y108 HydrophobicContact CE1-CE2 4.41Å; F99-Y108 AromaticContact CE1-CG 3.71Å; F99-Y108 HydrophobicContact CE1-CG 3.71Å; N104-Y108 WeakPolarHBondContact O-CD2 3.48Å; N104-Y108 PolarHBondContact O-N 3.33Å; Y105-Y108 PolarHBondContact O-N 3.13Å; Y108-T110 PolarHBondContact O-N 2.99Å; Y108-A111 PolarHBondContact O-N 2.91Å; Y108-I235 HydrophobicContact CE1-CG1 4.42Å; Y108-A238 HydrophobicContact CD2-CB 3.74Å; Y108-A238 HydrophobicContact CE2-CB 3.65Å; Y108-A238 HydrophobicContact CG-CB 4.37Å |
| 109 | D | 83.1 | Confident | 80.9 | Confident | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 179.9 | -161.2 | 25.6 | 0 | 0 | 0 | 111.4 | Y105 H106 I112 S113 K116 | Y105-D109 HydrophobicContact CE1-CB 4.04Å; Y105-D109 WeakPolarHBondContact CE1-OD2 2.81Å; Y105-D109 HydrophobicContact CE2-CB 4.07Å; Y105-D109 WeakPolarHBondContact O-CB 3.21Å; Y105-D109 PolarHBondContact O-N 3.43Å; Y105-D109 PolarHBondContact OH-OD1 3.47Å; Y105-D109 PolarHBondContact OH-OD2 3.08Å; H106-D109 PolarHBondContact O-N 3Å; D109-I112 WeakPolarHBondContact O-CG1 3.42Å; D109-I112 PolarHBondContact O-N 2.79Å; D109-S113 PolarHBondContact O-N 3.2Å; D109-S113 VanDerWaalsContact O-N 3.15Å; D109-S113 PolarHBondContact O-OG 3.22Å; D109-S113 VanDerWaalsContact O-OG 3.08Å; D109-K116 IonicContact OD1-NZ 2.53Å; D109-K116 PolarHBondContact OD1-NZ 3Å |
| 110 | T | 74 | Confident | 80.9 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 179.2 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | H106 Y108 I112 S113 | H106-T110 WeakPolarHBondContact O-CB 3.48Å; H106-T110 PolarHBondContact O-N 3.44Å; H106-T110 PolarHBondContact O-OG1 3.5Å; Y108-T110 PolarHBondContact O-N 2.99Å; T110-I112 PolarHBondContact O-N 3.46Å; T110-I112 VanDerWaalsContact O-N 3.12Å; T110-S113 PolarHBondContact O-N 3.48Å |
| 111 | A | 75.9 | Confident | 81.2 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 28% | 0.281 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -23.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | S107 Y108 L234 | S107-A111 WeakPolarHBondContact O-CB 3.4Å; S107-A111 PolarHBondContact O-N 2.76Å; S107-A111 VanDerWaalsContact O-N 3.1Å; Y108-A111 PolarHBondContact O-N 2.91Å; A111-L234 HydrophobicContact CB-CD1 3.92Å; A111-L234 HydrophobicContact CB-CG 4.12Å |
| 112 | I | 82.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 2.2 | -178.6 | 68.7 | 168.2 | 0 | 0 | 0 | 114.6 | P80 F81 D109 T110 H114 Y115 K116 L234 | P80-I112 HydrophobicContact CB-CD1 3.76Å; P80-I112 HydrophobicContact CG-CD1 4.42Å; F81-I112 HydrophobicContact CD1-CD1 3.89Å; F81-I112 HydrophobicContact CD2-CD1 3.76Å; F81-I112 HydrophobicContact CE1-CB 4.27Å; F81-I112 HydrophobicContact CE1-CD1 3.69Å; F81-I112 HydrophobicContact CE1-CG1 4.45Å; F81-I112 HydrophobicContact CE2-CB 4.45Å; F81-I112 HydrophobicContact CE2-CD1 3.52Å; F81-I112 HydrophobicContact CE2-CG2 4.23Å; F81-I112 HydrophobicContact CG-CD1 3.95Å; F81-I112 HydrophobicContact CZ-CB 3.85Å; F81-I112 HydrophobicContact CZ-CD1 3.5Å; F81-I112 HydrophobicContact CZ-CG1 4.27Å; F81-I112 HydrophobicContact CZ-CG2 3.96Å; D109-I112 WeakPolarHBondContact O-CG1 3.42Å; D109-I112 PolarHBondContact O-N 2.79Å; T110-I112 PolarHBondContact O-N 3.46Å; T110-I112 VanDerWaalsContact O-N 3.12Å; I112-H114 PolarHBondContact O-N 2.79Å; I112-Y115 WeakPolarHBondContact O-CB 3.45Å; I112-Y115 PolarHBondContact O-N 2.97Å; I112-K116 HydrophobicContact CD1-CD 4.31Å; I112-K116 HydrophobicContact CD1-CG 4.43Å; I112-K116 HydrophobicContact CG1-CD 4.27Å; I112-K116 HydrophobicContact CG1-CG 4.43Å; I112-K116 PolarHBondContact O-N 2.97Å; I112-K116 VanDerWaalsContact O-N 3.13Å; I112-L234 HydrophobicContact CG2-CD1 3.96Å; I112-L234 HydrophobicContact CG2-CD2 3.91Å |
| 113 | S | 77.6 | Confident | 82 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 42% | 0.42 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.4 | -40.1 | -175.4 | -72.5 | 0 | 0 | 0 | 0 | 113.1 | D109 T110 Y115 K116 E117 | D109-S113 PolarHBondContact O-N 3.2Å; D109-S113 VanDerWaalsContact O-N 3.15Å; D109-S113 PolarHBondContact O-OG 3.22Å; D109-S113 VanDerWaalsContact O-OG 3.08Å; T110-S113 PolarHBondContact O-N 3.48Å; S113-Y115 VanDerWaalsContact C-N 3.33Å; S113-Y115 PolarHBondContact O-N 3.43Å; S113-K116 WeakPolarHBondContact O-CB 3.33Å; S113-K116 PolarHBondContact O-N 3.36Å; S113-E117 PolarHBondContact O-N 3.29Å |
| 114 | H | 79.3 | Confident | 82.6 | Confident | 111 Ų | 111 | 57 Ų | 57 | 51% | 0.514 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 177.5 | -179.3 | 58.9 | 0 | 0 | 0 | 112.4 | I112 K116 F118 | I112-H114 PolarHBondContact O-N 2.79Å; H114-K116 VanDerWaalsContact C-N 3.35Å; H114-K116 PolarHBondContact O-N 3.32Å; H114-F118 AromaticContact CE1-CE2 3.44Å; H114-F118 VanDerWaalsContact CE1-CE2 3.44Å; H114-F118 WeakPolarHBondContact CE1-CE2 3.37Å; H114-F118 AromaticContact ND1-CE2 3.98Å; H114-F118 AromaticContact NE2-CE2 3.67Å; H114-F118 WeakPolarHBondContact O-CD2 3.49Å |
| 115 | Y | 86.2 | Confident | 83.1 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 15% | 0.153 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.2 | -33 | 178.1 | -66.8 | -71.5 | 0 | 0 | 0 | 112.7 | I112 S113 E117 F118 L119 A166 E169 L170 | I112-Y115 WeakPolarHBondContact O-CB 3.45Å; I112-Y115 PolarHBondContact O-N 2.97Å; S113-Y115 VanDerWaalsContact C-N 3.33Å; S113-Y115 PolarHBondContact O-N 3.43Å; Y115-E117 VanDerWaalsContact C-N 3.32Å; Y115-E117 PolarHBondContact O-N 3.39Å; Y115-F118 PolarHBondContact O-N 2.98Å; Y115-L119 VanDerWaalsContact O-CB 3.31Å; Y115-L119 WeakPolarHBondContact O-CB 3.42Å; Y115-L119 PolarHBondContact O-N 3.13Å; Y115-A166 HydrophobicContact CD1-CB 3.99Å; Y115-A166 WeakPolarHBondContact CD1-O 3.43Å; Y115-A166 HydrophobicContact CE1-CB 4.26Å; Y115-E169 HydrophobicContact CE1-CB 4.19Å; Y115-E169 WeakPolarHBondContact CE1-OE2 3.47Å; Y115-E169 PolarHBondContact OH-OE2 3.49Å; Y115-L170 HydrophobicContact CD1-CD1 3.99Å; Y115-L170 HydrophobicContact CD1-CD2 3.73Å; Y115-L170 HydrophobicContact CD1-CG 3.64Å; Y115-L170 HydrophobicContact CD2-CD2 4.1Å; Y115-L170 HydrophobicContact CE1-CD2 4.27Å; Y115-L170 HydrophobicContact CE1-CG 4.26Å; Y115-L170 HydrophobicContact CG-CD1 4.15Å; Y115-L170 HydrophobicContact CG-CD2 3.64Å; Y115-L170 HydrophobicContact CG-CG 4Å |
| 116 | K | 85.2 | Confident | 83 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 14% | 0.139 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 179.6 | -74.2 | -179.7 | 159.3 | 177 | 0 | 113.1 | P80 F81 D109 I112 S113 H114 F118 L119 F120 | P80-K116 WeakPolarHBondContact O-CE 3.38Å; P80-K116 PolarHBondContact O-NZ 3.08Å; F81-K116 HydrophobicContact CD1-CG 4.18Å; F81-K116 HydrophobicContact CE1-CG 4.26Å; D109-K116 IonicContact OD1-NZ 2.53Å; D109-K116 PolarHBondContact OD1-NZ 3Å; I112-K116 HydrophobicContact CD1-CD 4.31Å; I112-K116 HydrophobicContact CD1-CG 4.43Å; I112-K116 HydrophobicContact CG1-CD 4.27Å; I112-K116 HydrophobicContact CG1-CG 4.43Å; I112-K116 PolarHBondContact O-N 2.97Å; I112-K116 VanDerWaalsContact O-N 3.13Å; S113-K116 WeakPolarHBondContact O-CB 3.33Å; S113-K116 PolarHBondContact O-N 3.36Å; H114-K116 VanDerWaalsContact C-N 3.35Å; H114-K116 PolarHBondContact O-N 3.32Å; K116-F118 VanDerWaalsContact C-N 3.3Å; K116-F118 PolarHBondContact O-N 2.96Å; K116-L119 PolarHBondContact O-N 3.25Å; K116-F120 HydrophobicContact CB-CD2 4.24Å; K116-F120 HydrophobicContact CB-CE2 4.27Å; K116-F120 HydrophobicContact CG-CE2 4.16Å; K116-F120 VanDerWaalsContact O-CD2 3.25Å; K116-F120 WeakPolarHBondContact O-CD2 3.47Å; K116-F120 PolarHBondContact O-N 3.31Å |
| 117 | E | 84.5 | Confident | 83 | Confident | 139 Ų | 139 | 63.9 Ų | 63.9 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.6 | -47.5 | 177.2 | -170.7 | 173.2 | -176.6 | 0 | 0 | 110.5 | S113 Y115 E121 | S113-E117 PolarHBondContact O-N 3.29Å; Y115-E117 VanDerWaalsContact C-N 3.32Å; Y115-E117 PolarHBondContact O-N 3.39Å; E117-E121 PolarHBondContact O-N 2.59Å |
| 118 | F | 87.9 | Confident | 83.2 | Confident | 29 Ų | 29 | 67.9 Ų | 67.9 | 13% | 0.127 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74.8 | -36.5 | 177.1 | -62.7 | -61.3 | 0 | 0 | 0 | 114 | H114 Y115 K116 F120 E121 E162 K163 A166 I167 | H114-F118 AromaticContact CE1-CE2 3.44Å; H114-F118 VanDerWaalsContact CE1-CE2 3.44Å; H114-F118 WeakPolarHBondContact CE1-CE2 3.37Å; H114-F118 AromaticContact ND1-CE2 3.98Å; H114-F118 AromaticContact NE2-CE2 3.67Å; H114-F118 WeakPolarHBondContact O-CD2 3.49Å; Y115-F118 PolarHBondContact O-N 2.98Å; K116-F118 VanDerWaalsContact C-N 3.3Å; K116-F118 PolarHBondContact O-N 2.96Å; F118-F120 VanDerWaalsContact C-N 3.31Å; F118-F120 PolarHBondContact O-N 3.24Å; F118-E121 PolarHBondContact O-N 3.02Å; F118-E162 HydrophobicContact CE1-CB 4.09Å; F118-E162 HydrophobicContact CZ-CB 3.82Å; F118-K163 HydrophobicContact CB-CB 4.44Å; F118-K163 HydrophobicContact CB-CG 4.19Å; F118-K163 HydrophobicContact CD1-CB 3.78Å; F118-K163 HydrophobicContact CD1-CG 4.33Å; F118-K163 HydrophobicContact CE1-CB 4.41Å; F118-K163 HydrophobicContact CG-CB 4.34Å; F118-K163 WeakPolarHBondContact O-CE 3.37Å; F118-A166 HydrophobicContact CB-CB 4.35Å; F118-A166 HydrophobicContact CD2-CB 3.48Å; F118-A166 VanDerWaalsContact CD2-CB 3.48Å; F118-A166 HydrophobicContact CE2-CB 4.01Å; F118-A166 HydrophobicContact CG-CB 4.12Å; F118-I167 HydrophobicContact CB-CD1 4.25Å |
| 119 | L | 89 | Confident | 83.3 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -34.7 | -176.1 | -174.4 | 65.5 | 0 | 0 | 0 | 112.9 | F41 L44 L45 A48 F81 Y115 K116 I167 | F41-L119 HydrophobicContact CE2-CD2 4.35Å; L44-L119 HydrophobicContact CB-CD1 4.33Å; L45-L119 HydrophobicContact CD2-CD1 3.72Å; A48-L119 HydrophobicContact CB-CD1 4Å; F81-L119 HydrophobicContact CD1-CD2 3.48Å; F81-L119 VanDerWaalsContact CD1-CD2 3.48Å; F81-L119 HydrophobicContact CE1-CD2 4.03Å; F81-L119 HydrophobicContact CG-CD2 4.35Å; Y115-L119 VanDerWaalsContact O-CB 3.31Å; Y115-L119 WeakPolarHBondContact O-CB 3.42Å; Y115-L119 PolarHBondContact O-N 3.13Å; K116-L119 PolarHBondContact O-N 3.25Å; L119-I167 HydrophobicContact CB-CD1 4.02Å; L119-I167 HydrophobicContact CD1-CD1 3.79Å |
| 120 | F | 88.3 | Confident | 83.2 | Confident | 98 Ų | 98 | 74.5 Ų | 74.5 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 4 | -176.7 | -60.8 | -62.8 | 0 | 0 | 0 | 113.9 | F81 K116 F118 | F81-F120 WeakPolarHBondContact O-CZ 3.29Å; K116-F120 HydrophobicContact CB-CD2 4.24Å; K116-F120 HydrophobicContact CB-CE2 4.27Å; K116-F120 HydrophobicContact CG-CE2 4.16Å; K116-F120 VanDerWaalsContact O-CD2 3.25Å; K116-F120 WeakPolarHBondContact O-CD2 3.47Å; K116-F120 PolarHBondContact O-N 3.31Å; F118-F120 VanDerWaalsContact C-N 3.31Å; F118-F120 PolarHBondContact O-N 3.24Å |
| 121 | E | 86.2 | Confident | 83.3 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -66.3 | 134.3 | 170.9 | -175.1 | -178.3 | -166.8 | 0 | 0 | 110.4 | E117 F118 K163 | E117-E121 PolarHBondContact O-N 2.59Å; F118-E121 PolarHBondContact O-N 3.02Å; E121-K163 PolarHBondContact O-NZ 2.88Å; E121-K163 WeakPolarHBondContact OE2-CD 3.38Å; E121-K163 IonicContact OE2-NZ 2.86Å; E121-K163 PolarHBondContact OE2-NZ 3.18Å |
| 122 | K | 85.7 | Confident | 83.6 | Confident | 194 Ų | 194 | 81 Ų | 81 | 84% | 0.843 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 138.2 | -178.7 | -66.2 | -177.2 | 179.3 | 179.7 | 0 | 110.9 | ||
| 123 | T | 87.6 | Confident | 83.7 | Confident | 35 Ų | 35 | 85.8 Ų | 85.8 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 159.7 | 168.9 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | N47 D156 | N47-T123 WeakPolarHBondContact O-CG2 3.43Å; T123-D156 WeakPolarHBondContact CA-OD2 3.36Å; T123-D156 WeakPolarHBondContact CB-OD2 3.14Å |
| 124 | T | 87.1 | Confident | 84.3 | Confident | 21 Ų | 21 | 84.8 Ų | 84.8 | 13% | 0.129 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -61 | 133.7 | 176.6 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | V51 E128 L129 D156 Y158 | V51-T124 WeakPolarHBondContact CB-O 3.29Å; V51-T124 VanDerWaalsContact CG1-O 3.26Å; V51-T124 WeakPolarHBondContact CG1-O 3.39Å; T124-E128 HydrophobicContact CG2-CB 3.82Å; T124-E128 HydrophobicContact CG2-CG 4.46Å; T124-L129 HydrophobicContact CG2-CD2 4.48Å; T124-D156 PolarHBondContact N-OD2 2.98Å; T124-D156 PolarHBondContact OG1-OD1 3.23Å; T124-D156 PolarHBondContact OG1-OD2 2.93Å; T124-Y158 HydrophobicContact CG2-CD2 3.8Å; T124-Y158 HydrophobicContact CG2-CE2 3.89Å; T124-Y158 WeakPolarHBondContact OG1-CD2 3.26Å |
| 125 | P | 84.5 | Confident | 84.8 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 38% | 0.383 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -58 | 140.5 | 174.3 | -22.6 | 33 | 0 | 0 | 0 | 111.7 | E127 E128 | P125-E127 VanDerWaalsContact CB-OE2 3.26Å; P125-E127 WeakPolarHBondContact CB-OE2 3.48Å; P125-E127 PolarHBondContact O-N 2.82Å; P125-E127 VanDerWaalsContact O-N 3.13Å; P125-E128 HydrophobicContact CB-CG 4.43Å; P125-E128 PolarHBondContact O-N 2.76Å |
| 126 | I | 83.2 | Confident | 85.2 | Confident | 97 Ų | 97 | 80.8 Ų | 80.8 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -61.6 | -25.7 | -177.9 | -163.3 | 166.5 | 0 | 0 | 0 | 112.4 | V51 E128 L129 | V51-I126 HydrophobicContact CG2-CB 4.42Å; V51-I126 HydrophobicContact CG2-CD1 4.36Å; V51-I126 HydrophobicContact CG2-CG1 4.15Å; I126-E128 VanDerWaalsContact C-N 3.26Å; I126-E128 PolarHBondContact O-N 3.3Å; I126-L129 PolarHBondContact O-N 3.08Å |
| 127 | E | 79.5 | Confident | 85.4 | Confident | 149 Ų | 149 | 81 Ų | 81 | 70% | 0.696 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -64.4 | -29.6 | 177.6 | -61.4 | 76.4 | -165.4 | 0 | 0 | 112.7 | P125 L129 | P125-E127 VanDerWaalsContact CB-OE2 3.26Å; P125-E127 WeakPolarHBondContact CB-OE2 3.48Å; P125-E127 PolarHBondContact O-N 2.82Å; P125-E127 VanDerWaalsContact O-N 3.13Å; E127-L129 PolarHBondContact O-N 3.5Å |
| 128 | E | 80 | Confident | 85.7 | Confident | 119 Ų | 119 | 74.3 Ų | 74.3 | 56% | 0.556 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -76.4 | -12.2 | 179.3 | -65.6 | -177.1 | -159.2 | 0 | 0 | 112.6 | T124 P125 I126 | T124-E128 HydrophobicContact CG2-CB 3.82Å; T124-E128 HydrophobicContact CG2-CG 4.46Å; P125-E128 HydrophobicContact CB-CG 4.43Å; P125-E128 PolarHBondContact O-N 2.76Å; I126-E128 VanDerWaalsContact C-N 3.26Å; I126-E128 PolarHBondContact O-N 3.3Å |
| 129 | L | 82.1 | Confident | 85.8 | Confident | 12 Ų | 12 | 75.6 Ų | 75.6 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -83.2 | -4.9 | -179.7 | -61.3 | -170.3 | 0 | 0 | 0 | 114.4 | V51 T124 I126 E127 D131 Q132 Y134 P157 Y158 | V51-L129 HydrophobicContact CB-CD1 4.3Å; V51-L129 HydrophobicContact CG1-CD1 3.81Å; V51-L129 HydrophobicContact CG1-CG 4.48Å; V51-L129 HydrophobicContact CG2-CD1 3.79Å; T124-L129 HydrophobicContact CG2-CD2 4.48Å; I126-L129 PolarHBondContact O-N 3.08Å; E127-L129 PolarHBondContact O-N 3.5Å; L129-D131 VanDerWaalsContact C-N 3.35Å; L129-D131 PolarHBondContact O-N 3.02Å; L129-Q132 WeakPolarHBondContact O-CA 3.28Å; L129-Q132 WeakPolarHBondContact O-CB 3.3Å; L129-Q132 WeakPolarHBondContact O-CG 3.47Å; L129-Q132 PolarHBondContact O-N 2.94Å; L129-Y134 HydrophobicContact CD2-CE2 4.49Å; L129-P157 HydrophobicContact CD2-CG 3.57Å; L129-Y158 HydrophobicContact CD2-CE2 4.06Å |
| 130 | E | 80.8 | Confident | 85.8 | Confident | 165 Ų | 165 | 75.4 Ų | 75.4 | 77% | 0.771 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 51 | 176.2 | -60.5 | -171.9 | 168.5 | 0 | 0 | 114.2 | Q132 | E130-Q132 PolarHBondContact O-N 3.48Å; E130-Q132 VanDerWaalsContact O-N 3.14Å |
| 131 | D | 76.5 | Confident | 85.7 | Confident | 161 Ų | 161 | 72.7 Ų | 72.7 | 86% | 0.861 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 6.4 | -176.2 | -64.7 | -44.6 | 0 | 0 | 0 | 116.1 | L129 | L129-D131 VanDerWaalsContact C-N 3.35Å; L129-D131 PolarHBondContact O-N 3.02Å |
| 132 | Q | 82 | Confident | 85.7 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | trans | -77 | 141.6 | 174.2 | -57.7 | -173.8 | 4 | 0 | 0 | 111.5 | L129 E130 Y134 N195 T197 | L129-Q132 WeakPolarHBondContact O-CA 3.28Å; L129-Q132 WeakPolarHBondContact O-CB 3.3Å; L129-Q132 WeakPolarHBondContact O-CG 3.47Å; L129-Q132 PolarHBondContact O-N 2.94Å; E130-Q132 PolarHBondContact O-N 3.48Å; E130-Q132 VanDerWaalsContact O-N 3.14Å; Q132-Y134 HydrophobicContact CB-CD2 4.41Å; Q132-Y134 HydrophobicContact CB-CE2 3.71Å; Q132-Y134 PolarHBondContact OE1-OH 3.17Å; Q132-N195 PolarHBondContact OE1-ND2 3.29Å; Q132-T197 VanDerWaalsContact CA-OG1 3.27Å; Q132-T197 WeakPolarHBondContact CA-OG1 3.31Å | ||
| 133 | Q | 85.5 | Confident | 85.4 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | trans | -117.4 | 130.8 | 178 | -67 | -174.7 | -14.1 | 0 | 0 | 110.1 | N195 C196 T197 | Q133-N195 PolarHBondContact O-OD1 3.32Å; Q133-C196 CarbonylContact O-C 3.38Å; Q133-C196 PolarHBondContact O-N 2.99Å; Q133-C196 PolarHBondContact O-SG 2.93Å; Q133-C196 VanDerWaalsContact O-SG 3.37Å; Q133-T197 PolarHBondContact N-OG1 2.87Å; Q133-T197 PolarHBondContact O-N 3.29Å | ||
| 134 | Y | 89.2 | Confident | 85.1 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 155.3 | 179.1 | -68.3 | -94.7 | 0 | 0 | 0 | 111.3 | L129 Q132 D154 A155 P157 V193 M194 N195 | L129-Y134 HydrophobicContact CD2-CE2 4.49Å; Q132-Y134 HydrophobicContact CB-CD2 4.41Å; Q132-Y134 HydrophobicContact CB-CE2 3.71Å; Q132-Y134 PolarHBondContact OE1-OH 3.17Å; Y134-D154 PolarHBondContact O-N 2.9Å; Y134-A155 WeakPolarHBondContact CB-O 3.38Å; Y134-A155 PolarHBondContact O-N 3.39Å; Y134-A155 VanDerWaalsContact O-N 3.13Å; Y134-P157 HydrophobicContact CD1-CB 3.65Å; Y134-P157 HydrophobicContact CD1-CG 4.43Å; Y134-P157 HydrophobicContact CD2-CB 3.85Å; Y134-P157 HydrophobicContact CD2-CG 3.71Å; Y134-P157 HydrophobicContact CE1-CB 3.65Å; Y134-P157 HydrophobicContact CE1-CG 4.38Å; Y134-P157 HydrophobicContact CE2-CB 3.89Å; Y134-P157 HydrophobicContact CE2-CG 3.7Å; Y134-P157 HydrophobicContact CG-CB 3.73Å; Y134-P157 HydrophobicContact CG-CG 4.09Å; Y134-V193 HydrophobicContact CD1-CG1 4.12Å; Y134-M194 CarbonylContact C-O 3.58Å; Y134-M194 WeakPolarHBondContact CA-O 3.5Å; Y134-N195 HydrophobicContact CD1-CB 3.85Å; Y134-N195 HydrophobicContact CE1-CB 3.56Å; Y134-N195 PolarHBondContact OH-ND2 2.8Å |
| 135 | K | 90.9 | Very high | 84.8 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 121.2 | -177.3 | -179.1 | -168.7 | 168.8 | -161.1 | 0 | 109.5 | S151 L152 M194 C196 | K135-S151 WeakPolarHBondContact CE-OG 3.37Å; K135-L152 CarbonylContact C-O 3.46Å; K135-L152 VanDerWaalsContact CA-O 3.28Å; K135-L152 WeakPolarHBondContact CA-O 3.44Å; K135-L152 WeakPolarHBondContact CG-O 3.3Å; K135-M194 PolarHBondContact N-O 3.17Å; K135-M194 PolarHBondContact O-N 2.82Å; K135-C196 HydrophobicContact CB-CB 4.39Å |
| 136 | L | 92.9 | Very high | 84.7 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 128.1 | 168.6 | -175.1 | 69.8 | 0 | 0 | 0 | 108.3 | L49 W150 S151 L152 A155 V164 L168 S191 D192 V193 | L49-L136 HydrophobicContact CD1-CD2 3.96Å; L49-L136 HydrophobicContact CD2-CD2 4.24Å; L49-L136 HydrophobicContact CG-CD2 4.5Å; L136-W150 HydrophobicContact CD2-CZ3 3.98Å; L136-S151 CarbonylContact O-C 3.55Å; L136-S151 WeakPolarHBondContact O-CA 3.35Å; L136-S151 WeakPolarHBondContact O-CB 3.49Å; L136-L152 HydrophobicContact CB-CB 4.32Å; L136-L152 PolarHBondContact N-O 3.1Å; L136-L152 PolarHBondContact O-N 3.37Å; L136-A155 HydrophobicContact CB-CB 3.74Å; L136-V164 HydrophobicContact CD1-CG1 4.25Å; L136-L168 HydrophobicContact CD2-CD2 4.3Å; L136-S191 VanDerWaalsContact CD1-OG 3.26Å; L136-S191 WeakPolarHBondContact CD1-OG 3.49Å; L136-D192 CarbonylContact C-O 3.5Å; L136-D192 WeakPolarHBondContact CA-O 3.44Å; L136-V193 HydrophobicContact CD1-CG2 3.51Å |
| 137 | T | 89.5 | Confident | 84.8 | Confident | 36 Ų | 36 | 76.7 Ų | 76.7 | 22% | 0.221 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.7 | 176 | -54.2 | 0 | 0 | 0 | 0 | 107.9 | W150 S191 D192 | T137-W150 WeakPolarHBondContact CA-O 3.2Å; T137-S191 CarbonylContact O-C 3.38Å; T137-S191 WeakPolarHBondContact O-CA 3.39Å; T137-D192 PolarHBondContact N-O 3.29Å; T137-D192 PolarHBondContact O-N 3.3Å |
| 138 | S | 91.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 147.8 | -175.9 | -38.8 | 0 | 0 | 0 | 0 | 110.5 | W150 S190 S191 | S138-W150 PolarHBondContact N-O 2.76Å; S138-W150 PolarHBondContact O-N 2.9Å; S138-W150 VanDerWaalsContact O-O 3.1Å; S138-S190 CarbonylContact C-O 3.58Å; S138-S190 WeakPolarHBondContact CA-O 3.37Å; S138-S190 WeakPolarHBondContact CB-O 3.44Å; S138-S191 PolarHBondContact OG-OG 2.92Å |
| 139 | I | 89.3 | Confident | 85.4 | Confident | 55 Ų | 55 | 70 Ų | 70 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.7 | 173.7 | -57.8 | -178.7 | 0 | 0 | 0 | 107.8 | T147 V189 S190 | I139-T147 HydrophobicContact CG2-CG2 3.94Å; I139-V189 HydrophobicContact CB-CB 4.25Å; I139-V189 HydrophobicContact CG2-CB 4.14Å; I139-V189 HydrophobicContact CG2-CG2 4.41Å; I139-V189 WeakPolarHBondContact O-CB 3.18Å; I139-V189 PolarHBondContact O-N 3.23Å; I139-S190 WeakPolarHBondContact CD1-OG 3.37Å; I139-S190 WeakPolarHBondContact CG1-OG 3.22Å; I139-S190 PolarHBondContact N-O 3.24Å; I139-S190 PolarHBondContact O-N 3.09Å |
| 140 | F | 89.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144.9 | 175.9 | -75.4 | -91.7 | 0 | 0 | 0 | 111.4 | T147 Q148 W150 L168 L171 F185 E187 V188 | F140-T147 CarbonylContact O-C 3.57Å; F140-T147 WeakPolarHBondContact O-CA 3.15Å; F140-Q148 PolarHBondContact N-O 3.39Å; F140-Q148 PolarHBondContact O-N 3.21Å; F140-W150 HydrophobicContact CD2-CB 3.99Å; F140-W150 HydrophobicContact CE2-CB 4.15Å; F140-W150 HydrophobicContact CE2-CD2 4.35Å; F140-W150 AromaticContact CE2-CE3 3.99Å; F140-W150 HydrophobicContact CE2-CE3 3.99Å; F140-W150 HydrophobicContact CE2-CG 4.47Å; F140-L168 HydrophobicContact CZ-CB 4.08Å; F140-L168 HydrophobicContact CZ-CD2 3.99Å; F140-L168 HydrophobicContact CZ-CG 4.42Å; F140-L171 HydrophobicContact CZ-CD1 3.9Å; F140-F185 HydrophobicContact CB-CD1 4.39Å; F140-F185 HydrophobicContact CD1-CB 4.32Å; F140-F185 AromaticContact CD1-CD1 3.86Å; F140-F185 HydrophobicContact CD1-CD1 3.86Å; F140-F185 AromaticContact CD2-CD1 3.73Å; F140-F185 HydrophobicContact CD2-CD1 3.73Å; F140-F185 AromaticContact CD2-CE1 3.96Å; F140-F185 HydrophobicContact CD2-CE1 3.96Å; F140-F185 AromaticContact CE1-CD1 3.98Å; F140-F185 HydrophobicContact CE1-CD1 3.98Å; F140-F185 AromaticContact CE2-CD1 3.84Å; F140-F185 HydrophobicContact CE2-CD1 3.84Å; F140-F185 HydrophobicContact CE2-CE1 4Å; F140-F185 AromaticContact CG-CD1 3.73Å; F140-F185 HydrophobicContact CG-CD1 3.73Å; F140-F185 HydrophobicContact CG-CE1 4.39Å; F140-F185 AromaticContact CZ-CD1 3.96Å; F140-F185 HydrophobicContact CZ-CD1 3.96Å; F140-F185 HydrophobicContact CZ-CE1 4.47Å; F140-E187 CarbonylContact C-O 3.51Å; F140-E187 WeakPolarHBondContact CA-O 3.27Å; F140-E187 WeakPolarHBondContact CD1-O 3.46Å; F140-V188 HydrophobicContact CD1-CB 4.2Å; F140-V188 HydrophobicContact CE1-CB 3.86Å; F140-V188 HydrophobicContact CE1-CG2 4.37Å; F140-V188 HydrophobicContact CZ-CB 4.38Å; F140-V188 HydrophobicContact CZ-CG2 4.43Å |
| 141 | L | 85.3 | Confident | 86.3 | Confident | 40 Ų | 40 | 65 Ų | 65 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.6 | 158.4 | -70.2 | 170.8 | 0 | 0 | 0 | 109.5 | T147 V186 E187 V189 | L141-T147 HydrophobicContact CD2-CG2 3.97Å; L141-V186 VanDerWaalsContact O-CB 3.23Å; L141-V186 WeakPolarHBondContact O-CB 3.34Å; L141-V186 PolarHBondContact O-N 3.28Å; L141-E187 HydrophobicContact CB-CB 4.21Å; L141-E187 HydrophobicContact CD1-CB 4.25Å; L141-E187 PolarHBondContact N-O 3.01Å; L141-V189 HydrophobicContact CD1-CG2 4.26Å; L141-V189 HydrophobicContact CD2-CG2 4.32Å; L141-V189 HydrophobicContact CG-CG2 3.66Å |
| 142 | K | 86.9 | Confident | 87.1 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | trans | -86.1 | 169.2 | 167.6 | -66.7 | 177.9 | -73 | -152.9 | 0 | 109.9 | N144 K145 K146 T147 Q148 V182 R183 L184 V186 | K142-N144 WeakPolarHBondContact CB-OD1 3.49Å; K142-N144 PolarHBondContact O-N 3.12Å; K142-K145 WeakPolarHBondContact O-CA 3.43Å; K142-K145 PolarHBondContact O-N 3.32Å; K142-K146 WeakPolarHBondContact CB-O 3.36Å; K142-K146 VanDerWaalsContact CE-O 3.28Å; K142-K146 WeakPolarHBondContact CE-O 3.47Å; K142-K146 PolarHBondContact N-O 3.47Å; K142-T147 WeakPolarHBondContact CE-O 3.49Å; K142-T147 PolarHBondContact NZ-O 3.05Å; K142-Q148 HydrophobicContact CD-CB 3.96Å; K142-Q148 HydrophobicContact CG-CB 4Å; K142-V182 HydrophobicContact CB-CG1 4.04Å; K142-R183 VanDerWaalsContact CA-O 3.31Å; K142-R183 WeakPolarHBondContact CA-O 3.49Å; K142-R183 WeakPolarHBondContact CB-O 3.41Å; K142-L184 HydrophobicContact CD-CD2 4.05Å; K142-L184 HydrophobicContact CG-CD2 4.38Å; K142-V186 VanDerWaalsContact C-CG2 3.49Å | ||
| 143 | E | 78.6 | Confident | 87.5 | Confident | 119 Ų | 119 | 62 Ų | 62 | 56% | 0.556 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.6 | 177.5 | -178.1 | 174.4 | -152.8 | 0 | 0 | 113.4 | K145 V182 R183 V186 | E143-K145 PolarHBondContact O-N 3.02Å; E143-V182 HydrophobicContact CB-CG1 4.01Å; E143-R183 HydrophobicContact CB-CB 4.06Å; E143-R183 PolarHBondContact N-O 2.78Å; E143-R183 VanDerWaalsContact N-O 3.11Å; E143-R183 PolarHBondContact OE2-N 3.06Å; E143-V186 HydrophobicContact CB-CG2 4.12Å; E143-V186 VanDerWaalsContact N-CG2 3.28Å |
| 144 | N | 82.1 | Confident | 87.7 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 13.2 | 173.9 | 68.7 | 1.9 | 0 | 0 | 0 | 114.3 | K142 K146 V182 | K142-N144 WeakPolarHBondContact CB-OD1 3.49Å; K142-N144 PolarHBondContact O-N 3.12Å; N144-K146 PolarHBondContact O-N 3.17Å; N144-K146 VanDerWaalsContact O-N 3.13Å; N144-K146 WeakPolarHBondContact OD1-CB 3.36Å; N144-K146 PolarHBondContact OD1-N 3.04Å; N144-K146 VanDerWaalsContact OD1-N 3.12Å; N144-V182 HydrophobicContact CB-CG1 4.05Å |
| 145 | K | 80 | Confident | 87.8 | Confident | 179 Ų | 179 | 58 Ų | 58 | 78% | 0.778 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 60.7 | 13.7 | -178 | -54.3 | -176.5 | 178 | -177.4 | 0 | 115.3 | K142 E143 | K142-K145 WeakPolarHBondContact O-CA 3.43Å; K142-K145 PolarHBondContact O-N 3.32Å; E143-K145 PolarHBondContact O-N 3.02Å |
| 146 | K | 83 | Confident | 87.8 | Confident | 117 Ų | 117 | 55.1 Ų | 55.1 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | trans | -86.4 | 151.8 | 167.9 | -64.8 | -170.6 | 171.1 | -161.8 | 0 | 110.1 | K142 N144 | K142-K146 WeakPolarHBondContact CB-O 3.36Å; K142-K146 VanDerWaalsContact CE-O 3.28Å; K142-K146 WeakPolarHBondContact CE-O 3.47Å; K142-K146 PolarHBondContact N-O 3.47Å; N144-K146 PolarHBondContact O-N 3.17Å; N144-K146 VanDerWaalsContact O-N 3.13Å; N144-K146 WeakPolarHBondContact OD1-CB 3.36Å; N144-K146 PolarHBondContact OD1-N 3.04Å; N144-K146 VanDerWaalsContact OD1-N 3.12Å | ||
| 147 | T | 84.8 | Confident | 87.6 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 157.9 | 176.6 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | I139 F140 L141 K142 | I139-T147 HydrophobicContact CG2-CG2 3.94Å; F140-T147 CarbonylContact O-C 3.57Å; F140-T147 WeakPolarHBondContact O-CA 3.15Å; L141-T147 HydrophobicContact CD2-CG2 3.97Å; K142-T147 WeakPolarHBondContact CE-O 3.49Å; K142-T147 PolarHBondContact NZ-O 3.05Å |
| 148 | Q | 85.8 | Confident | 87.5 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 125.2 | 173.6 | 169.7 | 66.2 | 57 | 0 | 0 | 108.8 | F140 K142 W150 | F140-Q148 PolarHBondContact N-O 3.39Å; F140-Q148 PolarHBondContact O-N 3.21Å; K142-Q148 HydrophobicContact CD-CB 3.96Å; K142-Q148 HydrophobicContact CG-CB 4Å; Q148-W150 PolarHBondContact O-N 3.16Å |
| 149 | A | 87.5 | Confident | 87.4 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 51% | 0.512 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 124.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 150 | W | 91.7 | Very high | 87.4 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 8% | 0.076 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 149.9 | 171.1 | 176.5 | 81.1 | 0 | 0 | 0 | 109 | F12 L49 L136 T137 S138 F140 Q148 L152 L168 L171 F185 | F12-W150 HydrophobicContact CB-CZ2 4.42Å; F12-W150 AromaticContact CD1-CZ2 3.74Å; F12-W150 HydrophobicContact CD1-CZ2 3.74Å; F12-W150 HydrophobicContact CD2-CZ2 4.05Å; F12-W150 AromaticContact CD2-NE1 3.6Å; F12-W150 AromaticContact CE1-CZ2 3.96Å; F12-W150 HydrophobicContact CE1-CZ2 3.96Å; F12-W150 HydrophobicContact CE2-CZ2 4.27Å; F12-W150 AromaticContact CG-CZ2 3.8Å; F12-W150 HydrophobicContact CG-CZ2 3.8Å; F12-W150 AromaticContact CG-NE1 3.98Å; F12-W150 HydrophobicContact CZ-CZ2 4.23Å; L49-W150 HydrophobicContact CD1-CH2 4.33Å; L136-W150 HydrophobicContact CD2-CZ3 3.98Å; T137-W150 WeakPolarHBondContact CA-O 3.2Å; S138-W150 PolarHBondContact N-O 2.76Å; S138-W150 PolarHBondContact O-N 2.9Å; S138-W150 VanDerWaalsContact O-O 3.1Å; F140-W150 HydrophobicContact CD2-CB 3.99Å; F140-W150 HydrophobicContact CE2-CB 4.15Å; F140-W150 HydrophobicContact CE2-CD2 4.35Å; F140-W150 AromaticContact CE2-CE3 3.99Å; F140-W150 HydrophobicContact CE2-CE3 3.99Å; F140-W150 HydrophobicContact CE2-CG 4.47Å; Q148-W150 PolarHBondContact O-N 3.16Å; W150-L152 HydrophobicContact CH2-CB 3.67Å; W150-L152 HydrophobicContact CH2-CD2 3.81Å; W150-L152 HydrophobicContact CH2-CG 4.32Å; W150-L152 HydrophobicContact CZ2-CB 3.94Å; W150-L152 HydrophobicContact CZ2-CD2 4.31Å; W150-L152 HydrophobicContact CZ3-CB 4.11Å; W150-L168 HydrophobicContact CE3-CD2 4.46Å; W150-L168 HydrophobicContact CH2-CD2 4.29Å; W150-L168 HydrophobicContact CZ3-CD2 3.7Å; W150-L171 HydrophobicContact CH2-CD1 4.05Å; W150-L171 HydrophobicContact CZ2-CD1 4.32Å; W150-L171 HydrophobicContact CZ3-CD1 4.33Å; W150-F185 HydrophobicContact CB-CE1 4.03Å; W150-F185 AromaticContact CD1-CE1 3.68Å; W150-F185 AromaticContact CD1-CZ 3.58Å; W150-F185 HydrophobicContact CD2-CE1 4.29Å; W150-F185 AromaticContact CG-CE1 3.75Å; W150-F185 HydrophobicContact CG-CE1 3.75Å; W150-F185 HydrophobicContact CG-CZ 4.13Å; W150-F185 AromaticContact NE1-CZ 3.86Å |
| 151 | S | 90.1 | Very high | 87.2 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 37% | 0.371 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 143.6 | 175.1 | 69.4 | 0 | 0 | 0 | 0 | 113.3 | K135 L136 | K135-S151 WeakPolarHBondContact CE-OG 3.37Å; L136-S151 CarbonylContact O-C 3.55Å; L136-S151 WeakPolarHBondContact O-CA 3.35Å; L136-S151 WeakPolarHBondContact O-CB 3.49Å |
| 152 | L | 92.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.2 | -179.7 | -178.2 | 61.3 | 0 | 0 | 0 | 109.4 | F12 R46 L49 T50 K135 L136 W150 | F12-L152 HydrophobicContact CB-CD1 3.99Å; F12-L152 HydrophobicContact CD1-CD1 4.14Å; F12-L152 WeakPolarHBondContact O-CD1 3.4Å; R46-L152 HydrophobicContact CG-CD1 4.11Å; R46-L152 HydrophobicContact CG-CD2 4.49Å; L49-L152 HydrophobicContact CB-CD2 3.78Å; L49-L152 HydrophobicContact CD1-CD2 4.12Å; T50-L152 HydrophobicContact CG2-CD1 4.02Å; T50-L152 HydrophobicContact CG2-CD2 3.56Å; T50-L152 HydrophobicContact CG2-CG 3.69Å; K135-L152 CarbonylContact C-O 3.46Å; K135-L152 VanDerWaalsContact CA-O 3.28Å; K135-L152 WeakPolarHBondContact CA-O 3.44Å; K135-L152 WeakPolarHBondContact CG-O 3.3Å; L136-L152 HydrophobicContact CB-CB 4.32Å; L136-L152 PolarHBondContact N-O 3.1Å; L136-L152 PolarHBondContact O-N 3.37Å; W150-L152 HydrophobicContact CH2-CB 3.67Å; W150-L152 HydrophobicContact CH2-CD2 3.81Å; W150-L152 HydrophobicContact CH2-CG 4.32Å; W150-L152 HydrophobicContact CZ2-CB 3.94Å; W150-L152 HydrophobicContact CZ2-CD2 4.31Å; W150-L152 HydrophobicContact CZ3-CB 4.11Å |
| 153 | R | 89.6 | Confident | 87.4 | Confident | 176 Ų | 176 | 72.5 Ų | 72.5 | 66% | 0.664 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 165.8 | 175.5 | -65.9 | -173.9 | -175.8 | -165.7 | -2.1 | 110.4 | A155 | R153-A155 PolarHBondContact O-N 3.49Å |
| 154 | D | 89.8 | Confident | 87.9 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 58.7 | 32.4 | -178.9 | -47.8 | -39.8 | 0 | 0 | 0 | 110.6 | T50 V51 Y134 | T50-D154 CarbonylContact C-O 3.49Å; T50-D154 WeakPolarHBondContact CA-O 3.48Å; T50-D154 WeakPolarHBondContact CB-O 3.5Å; V51-D154 HydrophobicContact CG2-CB 4.49Å; V51-D154 PolarHBondContact N-O 2.88Å; Y134-D154 PolarHBondContact O-N 2.9Å |
| 155 | A | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -64.8 | 143.3 | 178 | 0 | 0 | 0 | 0 | 0 | 109.4 | L49 Y134 L136 R153 P157 V193 | L49-A155 WeakPolarHBondContact O-CA 3.43Å; Y134-A155 WeakPolarHBondContact CB-O 3.38Å; Y134-A155 PolarHBondContact O-N 3.39Å; Y134-A155 VanDerWaalsContact O-N 3.13Å; L136-A155 HydrophobicContact CB-CB 3.74Å; R153-A155 PolarHBondContact O-N 3.49Å; A155-P157 WeakPolarHBondContact O-CD 3.43Å; A155-V193 HydrophobicContact CB-CG1 4.47Å |
| 156 | D | 90.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | trans | -72.1 | 120.7 | 171 | -178.4 | -9 | 0 | 0 | 0 | 109.2 | L49 V51 T123 T124 Y158 L159 | L49-D156 PolarHBondContact O-N 3.48Å; V51-D156 HydrophobicContact CG1-CB 3.82Å; T123-D156 WeakPolarHBondContact CA-OD2 3.36Å; T123-D156 WeakPolarHBondContact CB-OD2 3.14Å; T124-D156 PolarHBondContact N-OD2 2.98Å; T124-D156 PolarHBondContact OG1-OD1 3.23Å; T124-D156 PolarHBondContact OG1-OD2 2.93Å; D156-Y158 PolarHBondContact O-N 2.84Å; D156-Y158 PolarHBondContact OD1-N 3.46Å; D156-L159 HydrophobicContact CB-CD1 4.12Å; D156-L159 HydrophobicContact CB-CD2 4Å; D156-L159 HydrophobicContact CB-CG 3.76Å; D156-L159 VanDerWaalsContact O-CD1 3.28Å; D156-L159 WeakPolarHBondContact O-CD1 3.42Å; D156-L159 VanDerWaalsContact O-CG 3.26Å; D156-L159 WeakPolarHBondContact O-CG 3.28Å | ||
| 157 | P | 87.8 | Confident | 89.1 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 21% | 0.208 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.2 | -180 | 29.5 | -34.5 | 0 | 0 | 0 | 114.1 | L129 Y134 A155 | L129-P157 HydrophobicContact CD2-CG 3.57Å; Y134-P157 HydrophobicContact CD1-CB 3.65Å; Y134-P157 HydrophobicContact CD1-CG 4.43Å; Y134-P157 HydrophobicContact CD2-CB 3.85Å; Y134-P157 HydrophobicContact CD2-CG 3.71Å; Y134-P157 HydrophobicContact CE1-CB 3.65Å; Y134-P157 HydrophobicContact CE1-CG 4.38Å; Y134-P157 HydrophobicContact CE2-CB 3.89Å; Y134-P157 HydrophobicContact CE2-CG 3.7Å; Y134-P157 HydrophobicContact CG-CB 3.73Å; Y134-P157 HydrophobicContact CG-CG 4.09Å; A155-P157 WeakPolarHBondContact O-CD 3.43Å |
| 158 | Y | 88.8 | Confident | 89.4 | Confident | 152 Ų | 152 | 51.5 Ų | 51.5 | 60% | 0.596 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 12.9 | -175.5 | -55.9 | -74.4 | 0 | 0 | 0 | 113.3 | T124 L129 D156 S160 | T124-Y158 HydrophobicContact CG2-CD2 3.8Å; T124-Y158 HydrophobicContact CG2-CE2 3.89Å; T124-Y158 WeakPolarHBondContact OG1-CD2 3.26Å; L129-Y158 HydrophobicContact CD2-CE2 4.06Å; D156-Y158 PolarHBondContact O-N 2.84Å; D156-Y158 PolarHBondContact OD1-N 3.46Å; Y158-S160 PolarHBondContact O-N 3.18Å |
| 159 | L | 89.3 | Confident | 89.5 | Confident | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | trans | -63.2 | 131.4 | 176.8 | -62.4 | 165.5 | 0 | 0 | 0 | 110.7 | A48 L49 D156 K163 V164 | A48-L159 WeakPolarHBondContact O-CD2 3.29Å; L49-L159 HydrophobicContact CB-CD1 4.4Å; L49-L159 HydrophobicContact CD2-CD1 3.87Å; D156-L159 HydrophobicContact CB-CD1 4.12Å; D156-L159 HydrophobicContact CB-CD2 4Å; D156-L159 HydrophobicContact CB-CG 3.76Å; D156-L159 VanDerWaalsContact O-CD1 3.28Å; D156-L159 WeakPolarHBondContact O-CD1 3.42Å; D156-L159 VanDerWaalsContact O-CG 3.26Å; D156-L159 WeakPolarHBondContact O-CG 3.28Å; L159-K163 HydrophobicContact CD2-CD 3.7Å; L159-K163 HydrophobicContact CD2-CG 4.29Å; L159-V164 HydrophobicContact CB-CG2 3.61Å; L159-V164 HydrophobicContact CD1-CG2 4.12Å; L159-V164 HydrophobicContact CG-CG2 4.48Å | ||
| 160 | S | 87.7 | Confident | 89.7 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | trans | -68.8 | 153.3 | 171.2 | 65 | 0 | 0 | 0 | 0 | 111.5 | Y158 E162 K163 V164 | Y158-S160 PolarHBondContact O-N 3.18Å; S160-E162 VanDerWaalsContact C-N 3.28Å; S160-E162 PolarHBondContact O-N 3.16Å; S160-K163 PolarHBondContact O-N 3.18Å; S160-K163 WeakPolarHBondContact OG-CB 3.15Å; S160-K163 PolarHBondContact OG-N 2.75Å; S160-V164 WeakPolarHBondContact O-CG2 3.31Å; S160-V164 PolarHBondContact O-N 3.35Å | ||
| 161 | E | 85.7 | Confident | 89.6 | Confident | 160 Ų | 160 | 46.3 Ų | 46.3 | 75% | 0.748 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -58.8 | -42 | 177.4 | -171.4 | -174.1 | 156.2 | 0 | 0 | 111.2 | K163 V164 K165 | E161-K163 VanDerWaalsContact C-N 3.34Å; E161-K163 PolarHBondContact O-N 3.25Å; E161-V164 PolarHBondContact O-N 3Å; E161-K165 VanDerWaalsContact O-CB 3.28Å; E161-K165 WeakPolarHBondContact O-CB 3.3Å; E161-K165 PolarHBondContact O-N 3.21Å |
| 162 | E | 86.4 | Confident | 89.3 | Confident | 119 Ų | 119 | 44.3 Ų | 44.3 | 56% | 0.556 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63 | -40.5 | 178.4 | -59.9 | 87.4 | 168.5 | 0 | 0 | 111.8 | F118 S160 A166 | F118-E162 HydrophobicContact CE1-CB 4.09Å; F118-E162 HydrophobicContact CZ-CB 3.82Å; S160-E162 VanDerWaalsContact C-N 3.28Å; S160-E162 PolarHBondContact O-N 3.16Å; E162-A166 VanDerWaalsContact O-CB 3.23Å; E162-A166 WeakPolarHBondContact O-CB 3.43Å; E162-A166 PolarHBondContact O-N 3.2Å |
| 163 | K | 90 | Very high | 88.9 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -49.7 | 175.7 | 176.3 | 169 | -172.1 | 171.9 | 0 | 110.9 | A48 F118 E121 L159 S160 E161 K165 A166 I167 | A48-K163 WeakPolarHBondContact O-CE 3.45Å; F118-K163 HydrophobicContact CB-CB 4.44Å; F118-K163 HydrophobicContact CB-CG 4.19Å; F118-K163 HydrophobicContact CD1-CB 3.78Å; F118-K163 HydrophobicContact CD1-CG 4.33Å; F118-K163 HydrophobicContact CE1-CB 4.41Å; F118-K163 HydrophobicContact CG-CB 4.34Å; F118-K163 WeakPolarHBondContact O-CE 3.37Å; E121-K163 PolarHBondContact O-NZ 2.88Å; E121-K163 WeakPolarHBondContact OE2-CD 3.38Å; E121-K163 IonicContact OE2-NZ 2.86Å; E121-K163 PolarHBondContact OE2-NZ 3.18Å; L159-K163 HydrophobicContact CD2-CD 3.7Å; L159-K163 HydrophobicContact CD2-CG 4.29Å; S160-K163 PolarHBondContact O-N 3.18Å; S160-K163 WeakPolarHBondContact OG-CB 3.15Å; S160-K163 PolarHBondContact OG-N 2.75Å; E161-K163 VanDerWaalsContact C-N 3.34Å; E161-K163 PolarHBondContact O-N 3.25Å; K163-K165 VanDerWaalsContact C-N 3.3Å; K163-K165 PolarHBondContact O-N 3.36Å; K163-A166 PolarHBondContact O-N 3.21Å; K163-I167 HydrophobicContact CG-CG1 4.26Å; K163-I167 WeakPolarHBondContact O-CB 3.49Å; K163-I167 WeakPolarHBondContact O-CG1 3.5Å; K163-I167 PolarHBondContact O-N 3.02Å |
| 164 | V | 90.5 | Very high | 88.8 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.5 | -49.7 | 178.2 | 174.4 | 0 | 0 | 0 | 0 | 109.5 | L136 L159 S160 E161 I167 L168 | L136-V164 HydrophobicContact CD1-CG1 4.25Å; L159-V164 HydrophobicContact CB-CG2 3.61Å; L159-V164 HydrophobicContact CD1-CG2 4.12Å; L159-V164 HydrophobicContact CG-CG2 4.48Å; S160-V164 WeakPolarHBondContact O-CG2 3.31Å; S160-V164 PolarHBondContact O-N 3.35Å; E161-V164 PolarHBondContact O-N 3Å; V164-I167 PolarHBondContact O-N 2.72Å; V164-L168 HydrophobicContact CG1-CD1 3.63Å; V164-L168 HydrophobicContact CG1-CG 4.14Å; V164-L168 WeakPolarHBondContact O-CB 3.2Å; V164-L168 WeakPolarHBondContact O-CG 3.38Å; V164-L168 PolarHBondContact O-N 3.4Å |
| 165 | K | 88.7 | Confident | 88.6 | Confident | 90 Ų | 90 | 37.6 Ų | 37.6 | 39% | 0.391 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.1 | -52.6 | 178.7 | -175.6 | 176.9 | -178.6 | 174.5 | 0 | 112.3 | E161 K163 I167 L168 E169 | E161-K165 VanDerWaalsContact O-CB 3.28Å; E161-K165 WeakPolarHBondContact O-CB 3.3Å; E161-K165 PolarHBondContact O-N 3.21Å; K163-K165 VanDerWaalsContact C-N 3.3Å; K163-K165 PolarHBondContact O-N 3.36Å; K165-I167 VanDerWaalsContact C-N 3.33Å; K165-I167 PolarHBondContact O-N 3.13Å; K165-L168 PolarHBondContact O-N 3.31Å; K165-E169 VanDerWaalsContact CE-OE1 3.22Å; K165-E169 WeakPolarHBondContact CE-OE1 3.35Å; K165-E169 WeakPolarHBondContact O-CB 3.49Å; K165-E169 WeakPolarHBondContact O-CG 3.22Å; K165-E169 PolarHBondContact O-N 3Å |
| 166 | A | 88.3 | Confident | 88.3 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y115 F118 E162 K163 L170 | Y115-A166 HydrophobicContact CD1-CB 3.99Å; Y115-A166 WeakPolarHBondContact CD1-O 3.43Å; Y115-A166 HydrophobicContact CE1-CB 4.26Å; F118-A166 HydrophobicContact CB-CB 4.35Å; F118-A166 HydrophobicContact CD2-CB 3.48Å; F118-A166 VanDerWaalsContact CD2-CB 3.48Å; F118-A166 HydrophobicContact CE2-CB 4.01Å; F118-A166 HydrophobicContact CG-CB 4.12Å; E162-A166 VanDerWaalsContact O-CB 3.23Å; E162-A166 WeakPolarHBondContact O-CB 3.43Å; E162-A166 PolarHBondContact O-N 3.2Å; K163-A166 PolarHBondContact O-N 3.21Å; A166-L170 WeakPolarHBondContact O-CG 3.48Å; A166-L170 PolarHBondContact O-N 3.23Å |
| 167 | I | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.3 | -36.7 | -179.3 | -57.4 | -62.3 | 0 | 0 | 0 | 111.9 | L45 A48 L49 F118 L119 K163 V164 K165 L170 L171 | L45-I167 HydrophobicContact CB-CG2 3.97Å; L45-I167 HydrophobicContact CD2-CG2 3.96Å; A48-I167 HydrophobicContact CB-CD1 3.98Å; A48-I167 HydrophobicContact CB-CG1 4.21Å; A48-I167 HydrophobicContact CB-CG2 4.48Å; L49-I167 HydrophobicContact CD1-CB 4.48Å; L49-I167 HydrophobicContact CD1-CG2 3.72Å; L49-I167 HydrophobicContact CD2-CB 4.07Å; L49-I167 HydrophobicContact CD2-CG2 4.05Å; L49-I167 HydrophobicContact CG-CB 4.29Å; L49-I167 HydrophobicContact CG-CG2 3.7Å; F118-I167 HydrophobicContact CB-CD1 4.25Å; L119-I167 HydrophobicContact CB-CD1 4.02Å; L119-I167 HydrophobicContact CD1-CD1 3.79Å; K163-I167 HydrophobicContact CG-CG1 4.26Å; K163-I167 WeakPolarHBondContact O-CB 3.49Å; K163-I167 WeakPolarHBondContact O-CG1 3.5Å; K163-I167 PolarHBondContact O-N 3.02Å; V164-I167 PolarHBondContact O-N 2.72Å; K165-I167 VanDerWaalsContact C-N 3.33Å; K165-I167 PolarHBondContact O-N 3.13Å; I167-L170 HydrophobicContact CD1-CD1 4.17Å; I167-L170 WeakPolarHBondContact O-CB 3.36Å; I167-L170 PolarHBondContact O-N 3.04Å; I167-L171 PolarHBondContact O-N 3.46Å |
| 168 | L | 91.5 | Very high | 88 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.6 | -31.7 | 175.2 | -64.6 | -178 | 0 | 0 | 0 | 112.2 | L49 L136 F140 W150 V164 K165 L170 L171 V188 S191 | L49-L168 HydrophobicContact CD1-CD2 4.08Å; L136-L168 HydrophobicContact CD2-CD2 4.3Å; F140-L168 HydrophobicContact CZ-CB 4.08Å; F140-L168 HydrophobicContact CZ-CD2 3.99Å; F140-L168 HydrophobicContact CZ-CG 4.42Å; W150-L168 HydrophobicContact CE3-CD2 4.46Å; W150-L168 HydrophobicContact CH2-CD2 4.29Å; W150-L168 HydrophobicContact CZ3-CD2 3.7Å; V164-L168 HydrophobicContact CG1-CD1 3.63Å; V164-L168 HydrophobicContact CG1-CG 4.14Å; V164-L168 WeakPolarHBondContact O-CB 3.2Å; V164-L168 WeakPolarHBondContact O-CG 3.38Å; V164-L168 PolarHBondContact O-N 3.4Å; K165-L168 PolarHBondContact O-N 3.31Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L168-L171 HydrophobicContact CD2-CD1 3.67Å; L168-L171 WeakPolarHBondContact O-CB 3.44Å; L168-L171 PolarHBondContact O-N 3.39Å; L168-V188 HydrophobicContact CB-CB 4.33Å; L168-V188 HydrophobicContact CB-CG2 4.24Å; L168-V188 HydrophobicContact CD1-CG2 3.84Å; L168-S191 WeakPolarHBondContact CD1-OG 3.48Å |
| 169 | E | 88.3 | Confident | 87.5 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 169.2 | -77.3 | 176.6 | -170.1 | 0 | 0 | 111.2 | Y115 K165 L171 S172 | Y115-E169 HydrophobicContact CE1-CB 4.19Å; Y115-E169 WeakPolarHBondContact CE1-OE2 3.47Å; Y115-E169 PolarHBondContact OH-OE2 3.49Å; K165-E169 VanDerWaalsContact CE-OE1 3.22Å; K165-E169 WeakPolarHBondContact CE-OE1 3.35Å; K165-E169 WeakPolarHBondContact O-CB 3.49Å; K165-E169 WeakPolarHBondContact O-CG 3.22Å; K165-E169 PolarHBondContact O-N 3Å; E169-L171 PolarHBondContact O-N 3.36Å; E169-S172 VanDerWaalsContact O-CB 3.23Å; E169-S172 WeakPolarHBondContact O-CB 3.46Å; E169-S172 PolarHBondContact O-N 3.28Å; E169-S172 PolarHBondContact O-OG 2.84Å |
| 170 | L | 91.2 | Very high | 87 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -26.1 | 175.8 | -68.7 | 172.2 | 0 | 0 | 0 | 113.3 | F41 L45 F81 Y115 A166 I167 L168 S172 L173 | F41-L170 HydrophobicContact CE1-CB 4.33Å; F41-L170 HydrophobicContact CZ-CB 4.14Å; F41-L170 HydrophobicContact CZ-CD1 4.34Å; F41-L170 HydrophobicContact CZ-CD2 4.26Å; F41-L170 HydrophobicContact CZ-CG 4.48Å; L45-L170 HydrophobicContact CD1-CB 4.02Å; L45-L170 HydrophobicContact CD2-CB 3.53Å; L45-L170 HydrophobicContact CD2-CD1 3.64Å; L45-L170 HydrophobicContact CD2-CG 4.24Å; L45-L170 HydrophobicContact CG-CB 4.46Å; F81-L170 HydrophobicContact CE1-CD1 4.33Å; F81-L170 HydrophobicContact CE1-CD2 4.36Å; F81-L170 HydrophobicContact CZ-CD2 3.78Å; Y115-L170 HydrophobicContact CD1-CD1 3.99Å; Y115-L170 HydrophobicContact CD1-CD2 3.73Å; Y115-L170 HydrophobicContact CD1-CG 3.64Å; Y115-L170 HydrophobicContact CD2-CD2 4.1Å; Y115-L170 HydrophobicContact CE1-CD2 4.27Å; Y115-L170 HydrophobicContact CE1-CG 4.26Å; Y115-L170 HydrophobicContact CG-CD1 4.15Å; Y115-L170 HydrophobicContact CG-CD2 3.64Å; Y115-L170 HydrophobicContact CG-CG 4Å; A166-L170 WeakPolarHBondContact O-CG 3.48Å; A166-L170 PolarHBondContact O-N 3.23Å; I167-L170 HydrophobicContact CD1-CD1 4.17Å; I167-L170 WeakPolarHBondContact O-CB 3.36Å; I167-L170 PolarHBondContact O-N 3.04Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L170-S172 PolarHBondContact O-N 3.33Å; L170-L173 HydrophobicContact CD2-CD1 3.72Å; L170-L173 WeakPolarHBondContact O-CB 3.21Å; L170-L173 PolarHBondContact O-N 2.83Å |
| 171 | L | 89.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -26.7 | 172.3 | -72.4 | 170.9 | 0 | 0 | 0 | 112.1 | F12 L45 F140 W150 I167 L168 E169 L173 L174 F185 | F12-L171 HydrophobicContact CE1-CD2 4.24Å; F12-L171 HydrophobicContact CE2-CD2 4.35Å; F12-L171 HydrophobicContact CZ-CD2 3.53Å; L45-L171 HydrophobicContact CB-CD2 4.34Å; L45-L171 HydrophobicContact CD1-CB 4.5Å; L45-L171 HydrophobicContact CD1-CD2 3.56Å; L45-L171 HydrophobicContact CD1-CG 3.9Å; F140-L171 HydrophobicContact CZ-CD1 3.9Å; W150-L171 HydrophobicContact CH2-CD1 4.05Å; W150-L171 HydrophobicContact CZ2-CD1 4.32Å; W150-L171 HydrophobicContact CZ3-CD1 4.33Å; I167-L171 PolarHBondContact O-N 3.46Å; L168-L171 HydrophobicContact CD2-CD1 3.67Å; L168-L171 WeakPolarHBondContact O-CB 3.44Å; L168-L171 PolarHBondContact O-N 3.39Å; E169-L171 PolarHBondContact O-N 3.36Å; L171-L173 PolarHBondContact O-N 3.08Å; L171-L174 HydrophobicContact CD2-CD1 3.87Å; L171-L174 WeakPolarHBondContact O-CB 3.1Å; L171-L174 PolarHBondContact O-N 3.23Å; L171-F185 HydrophobicContact CB-CB 4.44Å; L171-F185 HydrophobicContact CB-CG 4.49Å |
| 172 | S | 85 | Confident | 86.3 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.5 | 177.9 | 77.1 | 0 | 0 | 0 | 0 | 113.7 | E169 L170 L174 F185 V186 | E169-S172 VanDerWaalsContact O-CB 3.23Å; E169-S172 WeakPolarHBondContact O-CB 3.46Å; E169-S172 PolarHBondContact O-N 3.28Å; E169-S172 PolarHBondContact O-OG 2.84Å; L170-S172 PolarHBondContact O-N 3.33Å; S172-L174 PolarHBondContact O-N 3.49Å; S172-F185 WeakPolarHBondContact CA-O 3.4Å; S172-V186 VanDerWaalsContact CB-O 3.31Å; S172-V186 WeakPolarHBondContact CB-O 3.31Å |
| 173 | L | 83.3 | Confident | 86.3 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -19.1 | 174.4 | -60.9 | 178.6 | 0 | 0 | 0 | 112.5 | F41 L170 L171 T175 L231 | F41-L173 HydrophobicContact CE1-CD1 4.37Å; L170-L173 HydrophobicContact CD2-CD1 3.72Å; L170-L173 WeakPolarHBondContact O-CB 3.21Å; L170-L173 PolarHBondContact O-N 2.83Å; L171-L173 PolarHBondContact O-N 3.08Å; L173-T175 PolarHBondContact O-N 2.84Å; L173-L231 HydrophobicContact CB-CD1 4.5Å; L173-L231 HydrophobicContact CD2-CB 4.26Å; L173-L231 HydrophobicContact CD2-CD1 3.99Å |
| 174 | L | 87.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | trans | -81 | 115.7 | -177.9 | -61.8 | 174.1 | 0 | 0 | 0 | 110.7 | Q38 F41 A42 L45 L171 S172 F177 | Q38-L174 HydrophobicContact CB-CD2 3.82Å; Q38-L174 HydrophobicContact CG-CD2 4.1Å; Q38-L174 VanDerWaalsContact O-CD2 3.31Å; Q38-L174 WeakPolarHBondContact O-CD2 3.49Å; F41-L174 HydrophobicContact CB-CD2 4.45Å; F41-L174 HydrophobicContact CD1-CD2 3.79Å; F41-L174 HydrophobicContact CD1-CG 4.41Å; A42-L174 HydrophobicContact CB-CD1 3.65Å; L45-L174 HydrophobicContact CD1-CD1 4.25Å; L171-L174 HydrophobicContact CD2-CD1 3.87Å; L171-L174 WeakPolarHBondContact O-CB 3.1Å; L171-L174 PolarHBondContact O-N 3.23Å; S172-L174 PolarHBondContact O-N 3.49Å; L174-F177 HydrophobicContact CB-CD2 4.24Å; L174-F177 HydrophobicContact CD1-CD2 4.06Å; L174-F177 HydrophobicContact CD1-CE2 3.66Å | ||
| 175 | T | 85.2 | Confident | 86 | Confident | 70 Ų | 70 | 38.5 Ų | 38.5 | 43% | 0.429 | 20% | 0.204 | S | C | . | . | trans | -91.8 | -15.9 | 177.5 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | Q38 L173 F177 | Q38-T175 PolarHBondContact NE2-OG1 3.16Å; Q38-T175 PolarHBondContact OE1-OG1 2.99Å; Q38-T175 VanDerWaalsContact OE1-OG1 3.12Å; L173-T175 PolarHBondContact O-N 2.84Å; T175-F177 VanDerWaalsContact C-N 3.31Å; T175-F177 PolarHBondContact O-N 2.88Å | ||
| 176 | V | 86.4 | Confident | 85.7 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -71.4 | -16.4 | -175.8 | -69.1 | 0 | 0 | 0 | 0 | 115.4 | T35 Q38 F39 E178 | T35-V176 HydrophobicContact CG2-CG1 3.75Å; Q38-V176 HydrophobicContact CB-CG1 3.88Å; Q38-V176 HydrophobicContact CB-CG2 3.91Å; Q38-V176 HydrophobicContact CG-CG1 4.33Å; F39-V176 HydrophobicContact CD1-CB 4.49Å; F39-V176 HydrophobicContact CD1-CG2 3.91Å; F39-V176 HydrophobicContact CE1-CB 3.81Å; F39-V176 HydrophobicContact CE1-CG1 4.37Å; F39-V176 HydrophobicContact CE1-CG2 3.66Å; F39-V176 HydrophobicContact CZ-CB 4.38Å; V176-E178 PolarHBondContact O-N 2.88Å |
| 177 | F | 88.7 | Confident | 85.5 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | trans | -99 | 91.2 | -177 | -61.9 | -43.6 | 0 | 0 | 0 | 111.1 | I11 F12 F39 A42 L174 T175 L184 F185 | I11-F177 HydrophobicContact CB-CE1 4.48Å; I11-F177 HydrophobicContact CB-CZ 4.06Å; I11-F177 HydrophobicContact CG1-CE1 3.94Å; I11-F177 HydrophobicContact CG1-CZ 3.83Å; I11-F177 HydrophobicContact CG2-CZ 4.27Å; F12-F177 HydrophobicContact CE2-CD2 4.47Å; F12-F177 AromaticContact CE2-CE2 3.74Å; F12-F177 HydrophobicContact CE2-CE2 3.74Å; F12-F177 HydrophobicContact CE2-CZ 4.15Å; F12-F177 HydrophobicContact CZ-CE2 4.25Å; F39-F177 HydrophobicContact CD1-CE1 4.06Å; F39-F177 HydrophobicContact CD1-CZ 4.24Å; F39-F177 AromaticContact CE1-CE1 3.9Å; F39-F177 HydrophobicContact CE1-CE1 3.9Å; A42-F177 HydrophobicContact CB-CE2 3.98Å; A42-F177 HydrophobicContact CB-CZ 4.04Å; L174-F177 HydrophobicContact CB-CD2 4.24Å; L174-F177 HydrophobicContact CD1-CD2 4.06Å; L174-F177 HydrophobicContact CD1-CE2 3.66Å; T175-F177 VanDerWaalsContact C-N 3.31Å; T175-F177 PolarHBondContact O-N 2.88Å; F177-L184 HydrophobicContact CB-CD1 4.41Å; F177-L184 WeakPolarHBondContact O-CB 3.19Å; F177-L184 WeakPolarHBondContact O-CG 3.32Å; F177-L184 PolarHBondContact O-N 3.43Å; F177-F185 HydrophobicContact CB-CD2 3.87Å; F177-F185 HydrophobicContact CB-CE2 3.72Å; F177-F185 AromaticContact CD2-CD2 3.85Å; F177-F185 HydrophobicContact CD2-CD2 3.85Å; F177-F185 AromaticContact CD2-CE2 3.56Å; F177-F185 HydrophobicContact CD2-CE2 3.56Å; F177-F185 HydrophobicContact CE2-CE2 4.47Å; F177-F185 HydrophobicContact CG-CD2 4.33Å; F177-F185 AromaticContact CG-CE2 3.95Å; F177-F185 HydrophobicContact CG-CE2 3.95Å | ||
| 178 | E | 84.7 | Confident | 85.2 | Confident | 107 Ų | 107 | 41.5 Ų | 41.5 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 156.5 | 174.1 | 60.4 | 177.2 | -163 | 0 | 0 | 112.3 | V176 V182 | V176-E178 PolarHBondContact O-N 2.88Å; E178-V182 VanDerWaalsContact CA-O 3.27Å; E178-V182 WeakPolarHBondContact CA-O 3.46Å |
| 179 | K | 78.4 | Confident | 84.8 | Confident | 127 Ų | 127 | 45.1 Ų | 45.1 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 125.5 | 167.5 | -174.2 | -175.4 | 175.5 | -171.4 | 0 | 108.2 | G181 V182 L184 | K179-G181 PolarHBondContact O-N 2.83Å; K179-V182 PolarHBondContact N-O 2.84Å; K179-V182 PolarHBondContact O-N 2.75Å; K179-L184 HydrophobicContact CB-CD1 4.42Å; K179-L184 HydrophobicContact CB-CD2 3.77Å; K179-L184 HydrophobicContact CB-CG 4.36Å |
| 180 | D | 77.5 | Confident | 84.6 | Confident | 153 Ų | 153 | 45.7 Ų | 45.7 | 82% | 0.818 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 35 | -176.1 | -52.9 | -49.3 | 0 | 0 | 0 | 112.6 | V182 | D180-V182 VanDerWaalsContact C-N 3.35Š|
| 181 | G | 76.5 | Confident | 84.4 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 12.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K179 | K179-G181 PolarHBondContact O-N 2.83Š|
| 182 | V | 83.4 | Confident | 84.2 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 20% | 0.2 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.4 | 178 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | K142 E143 N144 E178 K179 D180 L184 | K142-V182 HydrophobicContact CB-CG1 4.04Å; E143-V182 HydrophobicContact CB-CG1 4.01Å; N144-V182 HydrophobicContact CB-CG1 4.05Å; E178-V182 VanDerWaalsContact CA-O 3.27Å; E178-V182 WeakPolarHBondContact CA-O 3.46Å; K179-V182 PolarHBondContact N-O 2.84Å; K179-V182 PolarHBondContact O-N 2.75Å; D180-V182 VanDerWaalsContact C-N 3.35Å; V182-L184 PolarHBondContact O-N 2.88Å |
| 183 | R | 86 | Confident | 84.3 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 134.3 | 177.5 | -161.4 | 175.9 | 85.4 | -150.4 | 11.1 | 111.8 | K142 E143 F185 V186 | K142-R183 VanDerWaalsContact CA-O 3.31Å; K142-R183 WeakPolarHBondContact CA-O 3.49Å; K142-R183 WeakPolarHBondContact CB-O 3.41Å; E143-R183 HydrophobicContact CB-CB 4.06Å; E143-R183 PolarHBondContact N-O 2.78Å; E143-R183 VanDerWaalsContact N-O 3.11Å; E143-R183 PolarHBondContact OE2-N 3.06Å; R183-F185 PolarHBondContact NE-O 3.31Å; R183-F185 VanDerWaalsContact NE-O 3.09Å; R183-V186 HydrophobicContact CB-CG2 4.48Å |
| 184 | L | 86.2 | Confident | 84.3 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -84.3 | -34.8 | -172.9 | -67.2 | 179.5 | 0 | 0 | 0 | 114.7 | K142 F177 K179 V182 | K142-L184 HydrophobicContact CD-CD2 4.05Å; K142-L184 HydrophobicContact CG-CD2 4.38Å; F177-L184 HydrophobicContact CB-CD1 4.41Å; F177-L184 WeakPolarHBondContact O-CB 3.19Å; F177-L184 WeakPolarHBondContact O-CG 3.32Å; F177-L184 PolarHBondContact O-N 3.43Å; K179-L184 HydrophobicContact CB-CD1 4.42Å; K179-L184 HydrophobicContact CB-CD2 3.77Å; K179-L184 HydrophobicContact CB-CG 4.36Å; V182-L184 PolarHBondContact O-N 2.88Å |
| 185 | F | 88.2 | Confident | 84.1 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 1% | 0.013 | 35% | 0.347 | C | S | . | . | trans | -116 | 96.5 | -174.4 | -54.3 | -75.1 | 0 | 0 | 0 | 109 | F140 W150 L171 S172 F177 R183 | F140-F185 HydrophobicContact CB-CD1 4.39Å; F140-F185 HydrophobicContact CD1-CB 4.32Å; F140-F185 AromaticContact CD1-CD1 3.86Å; F140-F185 HydrophobicContact CD1-CD1 3.86Å; F140-F185 AromaticContact CD2-CD1 3.73Å; F140-F185 HydrophobicContact CD2-CD1 3.73Å; F140-F185 AromaticContact CD2-CE1 3.96Å; F140-F185 HydrophobicContact CD2-CE1 3.96Å; F140-F185 AromaticContact CE1-CD1 3.98Å; F140-F185 HydrophobicContact CE1-CD1 3.98Å; F140-F185 AromaticContact CE2-CD1 3.84Å; F140-F185 HydrophobicContact CE2-CD1 3.84Å; F140-F185 HydrophobicContact CE2-CE1 4Å; F140-F185 AromaticContact CG-CD1 3.73Å; F140-F185 HydrophobicContact CG-CD1 3.73Å; F140-F185 HydrophobicContact CG-CE1 4.39Å; F140-F185 AromaticContact CZ-CD1 3.96Å; F140-F185 HydrophobicContact CZ-CD1 3.96Å; F140-F185 HydrophobicContact CZ-CE1 4.47Å; W150-F185 HydrophobicContact CB-CE1 4.03Å; W150-F185 AromaticContact CD1-CE1 3.68Å; W150-F185 AromaticContact CD1-CZ 3.58Å; W150-F185 HydrophobicContact CD2-CE1 4.29Å; W150-F185 AromaticContact CG-CE1 3.75Å; W150-F185 HydrophobicContact CG-CE1 3.75Å; W150-F185 HydrophobicContact CG-CZ 4.13Å; W150-F185 AromaticContact NE1-CZ 3.86Å; L171-F185 HydrophobicContact CB-CB 4.44Å; L171-F185 HydrophobicContact CB-CG 4.49Å; S172-F185 WeakPolarHBondContact CA-O 3.4Å; F177-F185 HydrophobicContact CB-CD2 3.87Å; F177-F185 HydrophobicContact CB-CE2 3.72Å; F177-F185 AromaticContact CD2-CD2 3.85Å; F177-F185 HydrophobicContact CD2-CD2 3.85Å; F177-F185 AromaticContact CD2-CE2 3.56Å; F177-F185 HydrophobicContact CD2-CE2 3.56Å; F177-F185 HydrophobicContact CE2-CE2 4.47Å; F177-F185 HydrophobicContact CG-CD2 4.33Å; F177-F185 AromaticContact CG-CE2 3.95Å; F177-F185 HydrophobicContact CG-CE2 3.95Å; R183-F185 PolarHBondContact NE-O 3.31Å; R183-F185 VanDerWaalsContact NE-O 3.09Å | ||
| 186 | V | 83.1 | Confident | 83.8 | Confident | 46 Ų | 46 | 61.3 Ų | 61.3 | 28% | 0.279 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -109.5 | -50.4 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 111 | L141 K142 E143 S172 R183 | L141-V186 VanDerWaalsContact O-CB 3.23Å; L141-V186 WeakPolarHBondContact O-CB 3.34Å; L141-V186 PolarHBondContact O-N 3.28Å; K142-V186 VanDerWaalsContact C-CG2 3.49Å; E143-V186 HydrophobicContact CB-CG2 4.12Å; E143-V186 VanDerWaalsContact N-CG2 3.28Å; S172-V186 VanDerWaalsContact CB-O 3.31Å; S172-V186 WeakPolarHBondContact CB-O 3.31Å; R183-V186 HydrophobicContact CB-CG2 4.48Å |
| 187 | E | 83.6 | Confident | 83.4 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 137.3 | -177 | -177.3 | -179.8 | 169.6 | 0 | 0 | 108.6 | F140 L141 | F140-E187 CarbonylContact C-O 3.51Å; F140-E187 WeakPolarHBondContact CA-O 3.27Å; F140-E187 WeakPolarHBondContact CD1-O 3.46Å; L141-E187 HydrophobicContact CB-CB 4.21Å; L141-E187 HydrophobicContact CD1-CB 4.25Å; L141-E187 PolarHBondContact N-O 3.01Å |
| 188 | V | 86.3 | Confident | 82.6 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 22% | 0.218 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 127.1 | 173.7 | 61.5 | 0 | 0 | 0 | 0 | 108.9 | F140 L168 | F140-V188 HydrophobicContact CD1-CB 4.2Å; F140-V188 HydrophobicContact CE1-CB 3.86Å; F140-V188 HydrophobicContact CE1-CG2 4.37Å; F140-V188 HydrophobicContact CZ-CB 4.38Å; F140-V188 HydrophobicContact CZ-CG2 4.43Å; L168-V188 HydrophobicContact CB-CB 4.33Å; L168-V188 HydrophobicContact CB-CG2 4.24Å; L168-V188 HydrophobicContact CD1-CG2 3.84Å |
| 189 | V | 82 | Confident | 81.1 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 47% | 0.473 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -46.7 | 179.1 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | I139 L141 | I139-V189 HydrophobicContact CB-CB 4.25Å; I139-V189 HydrophobicContact CG2-CB 4.14Å; I139-V189 HydrophobicContact CG2-CG2 4.41Å; I139-V189 WeakPolarHBondContact O-CB 3.18Å; I139-V189 PolarHBondContact O-N 3.23Å; L141-V189 HydrophobicContact CD1-CG2 4.26Å; L141-V189 HydrophobicContact CD2-CG2 4.32Å; L141-V189 HydrophobicContact CG-CG2 3.66Å |
| 190 | S | 83.5 | Confident | 80 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 32% | 0.315 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 159.7 | 179.2 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | S138 I139 | S138-S190 CarbonylContact C-O 3.58Å; S138-S190 WeakPolarHBondContact CA-O 3.37Å; S138-S190 WeakPolarHBondContact CB-O 3.44Å; I139-S190 WeakPolarHBondContact CD1-OG 3.37Å; I139-S190 WeakPolarHBondContact CG1-OG 3.22Å; I139-S190 PolarHBondContact N-O 3.24Å; I139-S190 PolarHBondContact O-N 3.09Å |
| 191 | S | 87.5 | Confident | 78.6 | Confident | 35 Ų | 35 | 74.7 Ų | 74.7 | 25% | 0.245 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 134.7 | 175.7 | -169.6 | 0 | 0 | 0 | 0 | 112.2 | L136 T137 S138 L168 | L136-S191 VanDerWaalsContact CD1-OG 3.26Å; L136-S191 WeakPolarHBondContact CD1-OG 3.49Å; T137-S191 CarbonylContact O-C 3.38Å; T137-S191 WeakPolarHBondContact O-CA 3.39Å; S138-S191 PolarHBondContact OG-OG 2.92Å; L168-S191 WeakPolarHBondContact CD1-OG 3.48Å |
| 192 | D | 85.1 | Confident | 76.8 | Confident | 104 Ų | 104 | 78.3 Ų | 78.3 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.4 | -178.6 | -64.8 | -64 | 0 | 0 | 0 | 111.2 | L136 T137 | L136-D192 CarbonylContact C-O 3.5Å; L136-D192 WeakPolarHBondContact CA-O 3.44Å; T137-D192 PolarHBondContact N-O 3.29Å; T137-D192 PolarHBondContact O-N 3.3Å |
| 193 | V | 87.1 | Confident | 74.5 | Confident | 57 Ų | 57 | 87 Ų | 87 | 35% | 0.345 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.1 | 169 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | Y134 L136 A155 | Y134-V193 HydrophobicContact CD1-CG1 4.12Å; L136-V193 HydrophobicContact CD1-CG2 3.51Å; A155-V193 HydrophobicContact CB-CG1 4.47Å |
| 194 | M | 83.6 | Confident | 72.1 | Confident | 113 Ų | 113 | 93.5 Ų | 93.5 | 56% | 0.557 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.7 | -177.8 | -53.9 | -176.2 | 84.8 | 0 | 0 | 111.3 | Y134 K135 C196 | Y134-M194 CarbonylContact C-O 3.58Å; Y134-M194 WeakPolarHBondContact CA-O 3.5Å; K135-M194 PolarHBondContact N-O 3.17Å; K135-M194 PolarHBondContact O-N 2.82Å; M194-C196 PolarHBondContact O-N 3.43Å |
| 195 | N | 83.1 | Confident | 69.4 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 121.5 | 168.3 | -167.9 | -40.5 | 0 | 0 | 0 | 109.7 | Q132 Q133 Y134 T197 | Q132-N195 PolarHBondContact OE1-ND2 3.29Å; Q133-N195 PolarHBondContact O-OD1 3.32Å; Y134-N195 HydrophobicContact CD1-CB 3.85Å; Y134-N195 HydrophobicContact CE1-CB 3.56Å; Y134-N195 PolarHBondContact OH-ND2 2.8Å; N195-T197 VanDerWaalsContact OD1-CB 3.31Å; N195-T197 WeakPolarHBondContact OD1-CB 3.28Å; N195-T197 PolarHBondContact OD1-N 3.41Å; N195-T197 PolarHBondContact OD1-OG1 3.11Å |
| 196 | C | 79.3 | Confident | 66.6 | Low | 42 Ų | 42 | 108.3 Ų | 108.3 | 28% | 0.284 | 56% | 0.556 | S | S | . | * | trans | -118.4 | 19.5 | -179.5 | 69.7 | 0 | 0 | 0 | 0 | 114.1 | Q133 K135 M194 R198 | Q133-C196 CarbonylContact O-C 3.38Å; Q133-C196 PolarHBondContact O-N 2.99Å; Q133-C196 PolarHBondContact O-SG 2.93Å; Q133-C196 VanDerWaalsContact O-SG 3.37Å; K135-C196 HydrophobicContact CB-CB 4.39Å; M194-C196 PolarHBondContact O-N 3.43Å; C196-R198 PolarHBondContact O-N 3.31Å | ||
| 197 | T | 78.9 | Confident | 64.2 | Low | 42 Ų | 42 | 110.5 Ų | 110.5 | 26% | 0.258 | 58% | 0.58 | S | S | . | * | trans | -53.3 | 124.8 | 177.9 | -51 | 0 | 0 | 0 | 0 | 110.9 | Q132 Q133 N195 | Q132-T197 VanDerWaalsContact CA-OG1 3.27Å; Q132-T197 WeakPolarHBondContact CA-OG1 3.31Å; Q133-T197 PolarHBondContact N-OG1 2.87Å; Q133-T197 PolarHBondContact O-N 3.29Å; N195-T197 VanDerWaalsContact OD1-CB 3.31Å; N195-T197 WeakPolarHBondContact OD1-CB 3.28Å; N195-T197 PolarHBondContact OD1-N 3.41Å; N195-T197 PolarHBondContact OD1-OG1 3.11Å | ||
| 198 | R | 69.9 | Low | 62 | Low | 222 Ų | 222 | 113 Ų | 113 | 84% | 0.838 | 60% | 0.602 | S | S | * | * | trans | -112.7 | 118.1 | -179.1 | -70 | -170.4 | -179.3 | -160 | -2.1 | 111.8 | C196 S200 | C196-R198 PolarHBondContact O-N 3.31Å; R198-S200 PolarHBondContact O-N 2.88Å | ||
| 199 | H | 54.8 | Low | 59.2 | Low | 160 Ų | 160 | 121.1 Ų | 121.1 | 74% | 0.741 | 64% | 0.635 | S | S | * | * | trans | -87.5 | 103.4 | 165.6 | -55.5 | -73.2 | 0 | 0 | 0 | 109.5 | L201 | H199-L201 PolarHBondContact O-N 3.36Å; H199-L201 VanDerWaalsContact O-N 3.14Å | ||
| 200 | S | 54.5 | Low | 56.5 | Low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 65% | 0.654 | S | S | * | * | trans | -70.9 | 109.9 | 175.4 | -80.6 | 0 | 0 | 0 | 0 | 110.8 | R198 I202 | R198-S200 PolarHBondContact O-N 2.88Å; S200-I202 VanDerWaalsContact C-N 3.31Å; S200-I202 PolarHBondContact O-N 3.4Å | ||
| 201 | L | 47.6 | Very low | 53.8 | Low | 170 Ų | 170 | 128.8 Ų | 128.8 | 89% | 0.89 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -72.8 | -18.4 | 178.7 | -65.9 | 168.7 | 0 | 0 | 0 | 113.6 | H199 | H199-L201 PolarHBondContact O-N 3.36Å; H199-L201 VanDerWaalsContact O-N 3.14Å |
| 202 | I | 39.9 | Very low | 50.9 | Low | 125 Ų | 125 | 135.1 Ų | 135.1 | 64% | 0.641 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -144.9 | 122.2 | -178.7 | -55.8 | 178.4 | 0 | 0 | 0 | 110.5 | S200 K204 | S200-I202 VanDerWaalsContact C-N 3.31Å; S200-I202 PolarHBondContact O-N 3.4Å; I202-K204 HydrophobicContact CG2-CD 4.4Å; I202-K204 HydrophobicContact CG2-CG 4.01Å; I202-K204 PolarHBondContact O-N 3.29Å |
| 203 | K | 34.3 | Very low | 48 | Very low | 216 Ų | 216 | 139.4 Ų | 139.4 | 94% | 0.939 | 72% | 0.721 | S | S | * | * | trans | -75.3 | 99.4 | 168.3 | -73.8 | -178 | 179.4 | 176.9 | 0 | 109.4 | ||||
| 204 | K | 35.9 | Very low | 45.1 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -116.2 | 139.1 | 170.7 | -95 | -176.7 | 179.5 | 179.3 | 0 | 112.7 | I202 | I202-K204 HydrophobicContact CG2-CD 4.4Å; I202-K204 HydrophobicContact CG2-CG 4.01Å; I202-K204 PolarHBondContact O-N 3.29Å | ||
| 205 | S | 30.3 | Very low | 42.2 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -57.5 | 143.9 | 176.7 | 48 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 206 | K | 28.6 | Very low | 39.4 | Very low | 213 Ų | 213 | 153.5 Ų | 153.5 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | -43.9 | 131.4 | -179.1 | -74.9 | 176.2 | 172.4 | 174.6 | 0 | 115.6 | ||||
| 207 | A | 31.8 | Very low | 36.9 | Very low | 93 Ų | 93 | 158.6 Ų | 158.6 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | 152.7 | 161.9 | 126.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 208 | P | 37.4 | Very low | 34.3 | Very low | 126 Ų | 126 | 165.7 Ų | 165.7 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | cis | -126.7 | 169.7 | -35 | 33.9 | -16.8 | 0 | 0 | 0 | 113.2 | ||||
| 209 | K | 28.4 | Very low | 32.2 | Very low | 208 Ų | 208 | 160.6 Ų | 160.6 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | -57.9 | 132.5 | 175.5 | -64.2 | 175.2 | 176 | 179 | 0 | 112.5 | ||||
| 210 | K | 25.1 | Very low | 30.9 | Very low | 204 Ų | 204 | 158.7 Ų | 158.7 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -136.3 | 139.7 | 149.2 | -94.5 | -172.2 | 174.3 | -175.1 | 0 | 108.5 | ||||
| 211 | G | 26.2 | Very low | 29.3 | Very low | 79 Ų | 79 | 162.8 Ų | 162.8 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | -67.9 | 138.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 212 | E | 26.9 | Very low | 28.3 | Very low | 169 Ų | 169 | 162.8 Ų | 162.8 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -91.5 | 114.1 | 159.8 | -74.8 | 167.4 | 172 | 0 | 0 | 105.7 | F214 | E212-F214 PolarHBondContact O-N 2.87Š| ||
| 213 | E | 23.8 | Very low | 27.5 | Very low | 194 Ų | 194 | 166.6 Ų | 166.6 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 121.8 | 156.7 | -75.4 | 173.6 | 159.1 | 0 | 0 | 106.2 | E215 | E213-E215 PolarHBondContact O-N 2.66Š|
| 214 | F | 26.6 | Very low | 26.8 | Very low | 187 Ų | 187 | 166.2 Ų | 166.2 | 82% | 0.82 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 124.8 | 170.2 | -76.9 | -94 | 0 | 0 | 0 | 107.4 | E212 E216 | E212-F214 PolarHBondContact O-N 2.87Å; F214-E216 PolarHBondContact O-N 3.33Å |
| 215 | E | 23.6 | Very low | 26.2 | Very low | 186 Ų | 186 | 163.6 Ų | 163.6 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 134.3 | 171 | -74.9 | 177.2 | 151 | 0 | 0 | 110 | E213 L217 | E213-E215 PolarHBondContact O-N 2.66Å; E215-L217 PolarHBondContact O-N 3.15Å; E215-L217 VanDerWaalsContact O-N 3.13Å |
| 216 | E | 23.7 | Very low | 25.8 | Very low | 175 Ų | 175 | 163.7 Ų | 163.7 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -62.7 | 110 | 167.3 | -80.6 | -178.2 | 144.6 | 0 | 0 | 108 | F214 | F214-E216 PolarHBondContact O-N 3.33Š| ||
| 217 | L | 27 | Very low | 25.8 | Very low | 150 Ų | 150 | 158.9 Ų | 158.9 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69 | 126.9 | 168.2 | -76.5 | 159.5 | 0 | 0 | 0 | 108.8 | E215 | E215-L217 PolarHBondContact O-N 3.15Å; E215-L217 VanDerWaalsContact O-N 3.13Å |
| 218 | E | 23.2 | Very low | 25.7 | Very low | 191 Ų | 191 | 165.1 Ų | 165.1 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 135.7 | 170.1 | -84 | -175.6 | 154.4 | 0 | 0 | 110.4 | V220 | E218-V220 PolarHBondContact O-N 3.4Š|
| 219 | V | 25.9 | Very low | 25.9 | Very low | 115 Ų | 115 | 161.4 Ų | 161.4 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 116.6 | -176.6 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 220 | V | 27.4 | Very low | 26.8 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72 | 125.6 | 159.8 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | E218 E222 | E218-V220 PolarHBondContact O-N 3.4Å; V220-E222 PolarHBondContact O-N 3.03Å |
| 221 | E | 21.8 | Very low | 27.7 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 91% | 0.907 | 73% | 0.728 | S | S | * | * | trans | -67.1 | 96.6 | 174.9 | -82.8 | -173 | 145.8 | 0 | 0 | 110.1 | ||||
| 222 | E | 25.6 | Very low | 28.7 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | trans | -100.1 | 144.9 | 168.1 | -94.9 | -179 | 171.3 | 0 | 0 | 112.5 | V220 K224 | V220-E222 PolarHBondContact O-N 3.03Å; E222-K224 PolarHBondContact O-N 3.15Å | ||
| 223 | K | 23.9 | Very low | 30 | Very low | 205 Ų | 205 | 140.5 Ų | 140.5 | 89% | 0.891 | 69% | 0.692 | S | S | * | * | trans | -60 | 125.5 | -171.3 | -72.3 | 170.7 | 178 | 168.8 | 0 | 111.7 | L225 | K223-L225 PolarHBondContact O-N 2.89Š| ||
| 224 | K | 20.3 | Very low | 31.1 | Very low | 207 Ų | 207 | 132.6 Ų | 132.6 | 90% | 0.9 | 66% | 0.656 | S | S | * | * | trans | -65.2 | 107.5 | 175.1 | -65.8 | 169.5 | -178.5 | 164.2 | 0 | 110.9 | E222 | E222-K224 PolarHBondContact O-N 3.15Š| ||
| 225 | L | 23.4 | Very low | 32.2 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 70% | 0.696 | 63% | 0.626 | S | S | * | * | trans | -82.2 | 132.8 | 154 | -88.3 | 151.2 | 0 | 0 | 0 | 108.2 | K223 F227 | K223-L225 PolarHBondContact O-N 2.89Å; L225-F227 HydrophobicContact CB-CD2 4.46Å; L225-F227 HydrophobicContact CB-CE2 4.41Å; L225-F227 PolarHBondContact O-N 3.24Å | ||
| 226 | P | 22 | Very low | 33.4 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | trans | -80.4 | 103.4 | -176.7 | 30.7 | -30.3 | 0 | 0 | 0 | 110.2 | ||||
| 227 | F | 27.4 | Very low | 34.7 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | trans | -94.9 | 128.7 | 170.1 | -91.3 | -90.4 | 0 | 0 | 0 | 111.2 | L225 | L225-F227 HydrophobicContact CB-CD2 4.46Å; L225-F227 HydrophobicContact CB-CE2 4.41Å; L225-F227 PolarHBondContact O-N 3.24Å | ||
| 228 | R | 30.2 | Very low | 35.5 | Very low | 224 Ų | 224 | 111.8 Ų | 111.8 | 85% | 0.845 | 57% | 0.57 | S | S | * | * | trans | -120.6 | 115.6 | 175.9 | -72.7 | -177.7 | 178.7 | 166.2 | 0.6 | 109 | ||||
| 229 | S | 41.7 | Very low | 36.3 | Very low | 47 Ų | 47 | 106.5 Ų | 106.5 | 33% | 0.329 | 55% | 0.551 | S | S | . | * | trans | -171.7 | 84 | 150.6 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 230 | T | 46.3 | Very low | 36.7 | Very low | 62 Ų | 62 | 107.1 Ų | 107.1 | 38% | 0.38 | 55% | 0.55 | S | S | . | * | trans | -82.8 | 160.4 | 161.1 | 61.4 | 0 | 0 | 0 | 0 | 110 | A232 D233 L234 | T230-A232 PolarHBondContact O-N 3.35Å; T230-D233 PolarHBondContact N-OD2 3.08Å; T230-D233 WeakPolarHBondContact O-CB 3.36Å; T230-D233 PolarHBondContact O-N 3.37Å; T230-D233 PolarHBondContact OG1-OD2 3.09Å; T230-L234 PolarHBondContact O-N 2.93Å | ||
| 231 | L | 44.8 | Very low | 36.7 | Very low | 33 Ų | 33 | 110.8 Ų | 110.8 | 17% | 0.173 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -49 | -33.2 | 170.2 | -166.8 | 78.6 | 0 | 0 | 0 | 112.2 | A77 L173 L234 I235 | A77-L231 HydrophobicContact CB-CD1 3.45Å; A77-L231 VanDerWaalsContact CB-CD1 3.45Å; A77-L231 HydrophobicContact CB-CG 4.28Å; L173-L231 HydrophobicContact CB-CD1 4.5Å; L173-L231 HydrophobicContact CD2-CB 4.26Å; L173-L231 HydrophobicContact CD2-CD1 3.99Å; L231-L234 PolarHBondContact O-N 3.35Å; L231-I235 HydrophobicContact CD2-CD1 4.46Å; L231-I235 HydrophobicContact CG-CD1 4.18Å; L231-I235 VanDerWaalsContact O-CG1 3.32Å; L231-I235 WeakPolarHBondContact O-CG1 3.35Å; L231-I235 PolarHBondContact O-N 3.34Å; L231-I235 VanDerWaalsContact O-N 3.08Å |
| 232 | A | 46.3 | Very low | 37.3 | Very low | 60 Ų | 60 | 107.8 Ų | 107.8 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T230 I235 Q236 | T230-A232 PolarHBondContact O-N 3.35Å; A232-I235 PolarHBondContact O-N 3.11Å; A232-Q236 VanDerWaalsContact O-CB 3.29Å; A232-Q236 WeakPolarHBondContact O-CB 3.44Å; A232-Q236 PolarHBondContact O-N 3.48Å |
| 233 | D | 54.4 | Low | 37.3 | Very low | 66 Ų | 66 | 106.9 Ų | 106.9 | 35% | 0.353 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.1 | -38.4 | 177.8 | -58.3 | -53.7 | 0 | 0 | 0 | 111 | T230 Q236 S237 | T230-D233 PolarHBondContact N-OD2 3.08Å; T230-D233 WeakPolarHBondContact O-CB 3.36Å; T230-D233 PolarHBondContact O-N 3.37Å; T230-D233 PolarHBondContact OG1-OD2 3.09Å; D233-Q236 PolarHBondContact O-N 3.41Å; D233-S237 PolarHBondContact O-N 2.97Å |
| 234 | L | 48.5 | Very low | 37.8 | Very low | 28 Ų | 28 | 102.1 Ų | 102.1 | 15% | 0.147 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 175.8 | -159.4 | 97.8 | 0 | 0 | 0 | 111 | A111 I112 T230 L231 S237 A238 | A111-L234 HydrophobicContact CB-CD1 3.92Å; A111-L234 HydrophobicContact CB-CG 4.12Å; I112-L234 HydrophobicContact CG2-CD1 3.96Å; I112-L234 HydrophobicContact CG2-CD2 3.91Å; T230-L234 PolarHBondContact O-N 2.93Å; L231-L234 PolarHBondContact O-N 3.35Å; L234-S237 PolarHBondContact O-N 3.07Å; L234-S237 PolarHBondContact O-OG 2.53Å; L234-A238 PolarHBondContact O-N 3.45Å |
| 235 | I | 47.8 | Very low | 38.2 | Very low | 35 Ų | 35 | 100.9 Ų | 100.9 | 18% | 0.179 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 177 | -67 | 163.8 | 0 | 0 | 0 | 110.6 | D73 Y108 L231 A232 S237 A238 T239 | D73-I235 HydrophobicContact CB-CD1 3.94Å; Y108-I235 HydrophobicContact CE1-CG1 4.42Å; L231-I235 HydrophobicContact CD2-CD1 4.46Å; L231-I235 HydrophobicContact CG-CD1 4.18Å; L231-I235 VanDerWaalsContact O-CG1 3.32Å; L231-I235 WeakPolarHBondContact O-CG1 3.35Å; L231-I235 PolarHBondContact O-N 3.34Å; L231-I235 VanDerWaalsContact O-N 3.08Å; A232-I235 PolarHBondContact O-N 3.11Å; I235-S237 VanDerWaalsContact C-N 3.3Å; I235-S237 PolarHBondContact O-N 2.85Å; I235-A238 PolarHBondContact O-N 3.13Å; I235-T239 HydrophobicContact CG2-CG2 4.4Å; I235-T239 PolarHBondContact O-N 2.81Å; I235-T239 PolarHBondContact O-OG1 2.76Å |
| 236 | Q | 49.4 | Very low | 38.6 | Very low | 131 Ų | 131 | 103.9 Ų | 103.9 | 61% | 0.612 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.4 | -33.9 | -179.1 | -169 | 170.4 | 12.5 | 0 | 0 | 112.5 | A232 D233 A238 | A232-Q236 VanDerWaalsContact O-CB 3.29Å; A232-Q236 WeakPolarHBondContact O-CB 3.44Å; A232-Q236 PolarHBondContact O-N 3.48Å; D233-Q236 PolarHBondContact O-N 3.41Å; Q236-A238 VanDerWaalsContact C-N 3.27Å; Q236-A238 PolarHBondContact O-N 3.49Å |
| 237 | S | 51.2 | Low | 39.4 | Very low | 82 Ų | 82 | 106 Ų | 106 | 57% | 0.573 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.2 | -26.5 | 173.5 | 77.5 | 0 | 0 | 0 | 0 | 113.3 | D233 L234 I235 | D233-S237 PolarHBondContact O-N 2.97Å; L234-S237 PolarHBondContact O-N 3.07Å; L234-S237 PolarHBondContact O-OG 2.53Å; I235-S237 VanDerWaalsContact C-N 3.3Å; I235-S237 PolarHBondContact O-N 2.85Å |
| 238 | A | 43.4 | Very low | 40 | Very low | 13 Ų | 13 | 109.8 Ų | 109.8 | 11% | 0.107 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -93.1 | -16.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S107 Y108 L234 I235 Q236 | S107-A238 PolarHBondContact OG-O 3.24Å; Y108-A238 HydrophobicContact CD2-CB 3.74Å; Y108-A238 HydrophobicContact CE2-CB 3.65Å; Y108-A238 HydrophobicContact CG-CB 4.37Å; L234-A238 PolarHBondContact O-N 3.45Å; I235-A238 PolarHBondContact O-N 3.13Å; Q236-A238 VanDerWaalsContact C-N 3.27Å; Q236-A238 PolarHBondContact O-N 3.49Å |
| 239 | T | 40.4 | Very low | 41.1 | Very low | 81 Ų | 81 | 108 Ų | 108 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | trans | -106.7 | 8.8 | -169.5 | 56.6 | 0 | 0 | 0 | 0 | 116.2 | I235 E241 | I235-T239 HydrophobicContact CG2-CG2 4.4Å; I235-T239 PolarHBondContact O-N 2.81Å; I235-T239 PolarHBondContact O-OG1 2.76Å; T239-E241 PolarHBondContact O-N 2.94Å; T239-E241 VanDerWaalsContact O-N 3.14Å | ||
| 240 | N | 35 | Very low | 42 | Very low | 128 Ų | 128 | 112.2 Ų | 112.2 | 68% | 0.684 | 58% | 0.58 | S | S | * | * | trans | -74.2 | 106.7 | 174.7 | -81 | -8.5 | 0 | 0 | 0 | 110.8 | E242 | N240-E242 PolarHBondContact O-N 3.46Š| ||
| 241 | E | 27.1 | Very low | 42.9 | Very low | 195 Ų | 195 | 117.5 Ų | 117.5 | 91% | 0.911 | 60% | 0.6 | S | S | * | * | trans | -68.9 | 102.1 | 172.5 | -70.8 | -177.8 | 158.9 | 0 | 0 | 110.4 | T239 | T239-E241 PolarHBondContact O-N 2.94Å; T239-E241 VanDerWaalsContact O-N 3.14Å | ||
| 242 | E | 34.9 | Very low | 44 | Very low | 132 Ų | 132 | 118.5 Ų | 118.5 | 62% | 0.617 | 61% | 0.605 | S | S | * | * | trans | -126.1 | 126.9 | 170.7 | -72.7 | -177.8 | 174.4 | 0 | 0 | 111.4 | N240 | N240-E242 PolarHBondContact O-N 3.46Š| ||
| 243 | T | 25.7 | Very low | 45 | Very low | 152 Ų | 152 | 119.3 Ų | 119.3 | 93% | 0.933 | 61% | 0.612 | S | S | * | * | trans | -77.2 | 127.6 | 176.4 | -9.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 244 | I | 34.1 | Very low | 45.8 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 53% | 0.533 | 61% | 0.612 | S | S | . | * | trans | -119.4 | 138.4 | 179.1 | -65.2 | 177.7 | 0 | 0 | 0 | 109.1 | ||||
| 245 | E | 29.1 | Very low | 46.8 | Very low | 181 Ų | 181 | 120.8 Ų | 120.8 | 85% | 0.846 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 139.4 | 178.2 | -70.4 | 172.5 | 157.3 | 0 | 0 | 112.9 | ||
| 246 | E | 31.3 | Very low | 47.6 | Very low | 196 Ų | 196 | 124.4 Ų | 124.4 | 92% | 0.916 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 125.9 | -179.9 | -73.6 | 175.5 | 151.4 | 0 | 0 | 111.3 | ||
| 247 | L | 37.9 | Very low | 48.5 | Very low | 164 Ų | 164 | 122.3 Ų | 122.3 | 86% | 0.859 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 124.4 | 166.9 | -71.6 | 165.2 | 0 | 0 | 0 | 108.5 | ||
| 248 | E | 41 | Very low | 49.4 | Very low | 192 Ų | 192 | 121.9 Ų | 121.9 | 90% | 0.897 | 66% | 0.661 | S | S | * | * | trans | -108.7 | 130.2 | 177.9 | -152.1 | -179.7 | -165.9 | 0 | 0 | 110.6 | ||||
| 249 | E | 52.4 | Low | 50.7 | Low | 187 Ų | 187 | 127.1 Ų | 127.1 | 87% | 0.874 | 68% | 0.682 | S | S | * | * | trans | -92.4 | 127.2 | 179.3 | -169 | 173.1 | -173.3 | 0 | 0 | 110.1 | ||||
| 250 | K | 60.3 | Low | 52.1 | Low | 135 Ų | 135 | 127 Ų | 127 | 59% | 0.587 | 68% | 0.677 | S | S | * | * | trans | -126.2 | 121.8 | -176.7 | -166 | 178 | -178.2 | -172.2 | 0 | 111.5 | ||||
| 251 | Q | 66 | Low | 53.7 | Low | 172 Ų | 172 | 127.8 Ų | 127.8 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -79.9 | 131 | 172 | -73.2 | -176.9 | -4.1 | 0 | 0 | 111 | ||||
| 252 | I | 67.7 | Low | 55.8 | Low | 54 Ų | 54 | 124.2 Ų | 124.2 | 28% | 0.277 | 66% | 0.664 | S | S | . | * | trans | -114.2 | 123.6 | 178.6 | -70 | 166.2 | 0 | 0 | 0 | 108.9 | V272 Q275 | I252-V272 HydrophobicContact CD1-CG1 4.05Å; I252-Q275 HydrophobicContact CD1-CB 4.25Å; I252-Q275 HydrophobicContact CG1-CB 4.37Å; I252-Q275 HydrophobicContact CG2-CB 4.33Å; I252-Q275 HydrophobicContact CG2-CG 4.4Å | ||
| 253 | A | 68.2 | Low | 57.6 | Low | 77 Ų | 77 | 119.6 Ų | 119.6 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 139.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q275 | A253-Q275 PolarHBondContact O-NE2 3.33Š|
| 254 | L | 69.5 | Low | 59.7 | Low | 69 Ų | 69 | 116.1 Ų | 116.1 | 36% | 0.361 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 143.1 | 173.3 | -72.5 | 171.2 | 0 | 0 | 0 | 111 | L260 L263 I271 | L254-L260 HydrophobicContact CD1-CB 4.07Å; L254-L260 HydrophobicContact CD1-CD1 4.09Å; L254-L263 HydrophobicContact CD2-CD1 3.78Å; L254-I271 HydrophobicContact CD2-CD1 4.32Å; L254-I271 HydrophobicContact CD2-CG2 4.35Å |
| 255 | P | 69.4 | Low | 61.3 | Low | 57 Ų | 57 | 116 Ų | 116 | 37% | 0.37 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -57 | 144.1 | 175.2 | -23.9 | 33 | 0 | 0 | 0 | 113.1 | G257 I258 I271 | P255-G257 PolarHBondContact O-N 3.38Å; P255-I258 HydrophobicContact CB-CD1 4.01Å; P255-I258 HydrophobicContact CB-CG1 4.49Å; P255-I258 HydrophobicContact CG-CD1 4.09Å; P255-I258 PolarHBondContact O-N 3.01Å; P255-I271 HydrophobicContact CG-CG2 4.49Å |
| 256 | A | 64.9 | Low | 63.1 | Low | 111 Ų | 111 | 114.9 Ų | 114.9 | 92% | 0.917 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 125.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 257 | G | 68.3 | Low | 65 | Low | 86 Ų | 86 | 109.7 Ų | 109.7 | 89% | 0.887 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99 | -11.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P255 | P255-G257 PolarHBondContact O-N 3.38Š|
| 258 | I | 70.3 | Confident | 66.6 | Low | 73 Ų | 73 | 103.2 Ų | 103.2 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | trans | -92.2 | 125.3 | 174.2 | -57.1 | -178.3 | 0 | 0 | 0 | 109 | P255 L263 I271 | P255-I258 HydrophobicContact CB-CD1 4.01Å; P255-I258 HydrophobicContact CB-CG1 4.49Å; P255-I258 HydrophobicContact CG-CD1 4.09Å; P255-I258 PolarHBondContact O-N 3.01Å; I258-L263 HydrophobicContact CG2-CD1 3.67Å; I258-L263 HydrophobicContact CG2-CD2 3.81Å; I258-L263 HydrophobicContact CG2-CG 3.75Å; I258-I271 HydrophobicContact CD1-CD1 4.48Å | ||
| 259 | K | 70.9 | Confident | 68.2 | Low | 123 Ų | 123 | 97.6 Ų | 97.6 | 54% | 0.535 | 54% | 0.54 | S | S | . | . | trans | -98.4 | 137.5 | 172.2 | -63.5 | -170.7 | 177.3 | -175.9 | 0 | 110.1 | E261 N262 | K259-E261 HydrophobicContact CB-CG 3.91Å; K259-E261 HydrophobicContact CD-CG 4.23Å; K259-E261 WeakPolarHBondContact CD-OE1 3.12Å; K259-E261 IonicContact NZ-OE1 2.78Å; K259-E261 PolarHBondContact NZ-OE1 3.2Å; K259-E261 PolarHBondContact O-N 3.44Å; K259-N262 PolarHBondContact O-N 2.75Å | ||
| 260 | L | 69.3 | Low | 69.2 | Low | 78 Ų | 78 | 95.6 Ų | 95.6 | 41% | 0.408 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -52.9 | -38 | 178.5 | -173.2 | 72 | 0 | 0 | 0 | 112.8 | L254 N262 L263 L268 L287 | L254-L260 HydrophobicContact CD1-CB 4.07Å; L254-L260 HydrophobicContact CD1-CD1 4.09Å; L260-N262 PolarHBondContact O-N 2.86Å; L260-N262 VanDerWaalsContact O-N 3.12Å; L260-L263 PolarHBondContact O-N 2.54Å; L260-L263 VanDerWaalsContact O-N 3.16Å; L260-L268 HydrophobicContact CD1-CD1 3.31Å; L260-L287 HydrophobicContact CD1-CD2 3.73Å; L260-L287 HydrophobicContact CD2-CD1 4.29Å; L260-L287 HydrophobicContact CD2-CD2 4.15Å |
| 261 | E | 68.8 | Low | 69.9 | Low | 145 Ų | 145 | 90.3 Ų | 90.3 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -62.4 | -16 | 179 | 66.2 | -162.8 | -173.3 | 0 | 0 | 114.6 | K259 | K259-E261 HydrophobicContact CB-CG 3.91Å; K259-E261 HydrophobicContact CD-CG 4.23Å; K259-E261 WeakPolarHBondContact CD-OE1 3.12Å; K259-E261 IonicContact NZ-OE1 2.78Å; K259-E261 PolarHBondContact NZ-OE1 3.2Å; K259-E261 PolarHBondContact O-N 3.44Å |
| 262 | N | 71.4 | Confident | 70.3 | Confident | 120 Ų | 120 | 82.6 Ų | 82.6 | 64% | 0.642 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -101.9 | -1.9 | -179.8 | -64.6 | -23.4 | 0 | 0 | 0 | 113.6 | K259 L260 | K259-N262 PolarHBondContact O-N 2.75Å; L260-N262 PolarHBondContact O-N 2.86Å; L260-N262 VanDerWaalsContact O-N 3.12Å |
| 263 | L | 73.1 | Confident | 70.5 | Confident | 36 Ų | 36 | 86.7 Ų | 86.7 | 19% | 0.188 | 49% | 0.489 | C | S | . | . | trans | -99.6 | 134.7 | -178.4 | -68.9 | 170.5 | 0 | 0 | 0 | 110.8 | L254 I258 L260 E267 L268 I271 | L254-L263 HydrophobicContact CD2-CD1 3.78Å; I258-L263 HydrophobicContact CG2-CD1 3.67Å; I258-L263 HydrophobicContact CG2-CD2 3.81Å; I258-L263 HydrophobicContact CG2-CG 3.75Å; L260-L263 PolarHBondContact O-N 2.54Å; L260-L263 VanDerWaalsContact O-N 3.16Å; L263-E267 WeakPolarHBondContact CA-OE2 3.34Å; L263-E267 HydrophobicContact CD2-CB 3.86Å; L263-L268 HydrophobicContact CB-CD1 4.48Å; L263-L268 HydrophobicContact CD1-CD1 4.19Å; L263-I271 HydrophobicContact CD1-CD1 3.85Å; L263-I271 HydrophobicContact CD2-CD1 3.93Å | ||
| 264 | N | 69 | Low | 70.8 | Confident | 79 Ų | 79 | 91.2 Ų | 91.2 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | trans | -83.5 | 170.7 | 165.5 | 72.7 | 49.3 | 0 | 0 | 0 | 111.4 | E266 E267 L268 | N264-E266 VanDerWaalsContact C-N 3.28Å; N264-E266 PolarHBondContact O-N 3.15Å; N264-E266 WeakPolarHBondContact OD1-CA 3.14Å; N264-E266 WeakPolarHBondContact OD1-CB 3.36Å; N264-E266 PolarHBondContact OD1-N 2.7Å; N264-E267 PolarHBondContact N-OE2 3.08Å; N264-E267 VanDerWaalsContact ND2-CD 3.26Å; N264-E267 PolarHBondContact ND2-OE2 2.81Å; N264-E267 PolarHBondContact O-N 3.43Å; N264-E267 PolarHBondContact OD1-N 2.88Å; N264-L268 WeakPolarHBondContact O-CB 3.41Å; N264-L268 PolarHBondContact O-N 3.04Å | ||
| 265 | S | 68.8 | Low | 70.9 | Confident | 100 Ų | 100 | 91.8 Ų | 91.8 | 70% | 0.699 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.5 | -31.8 | -177.1 | -55.4 | 0 | 0 | 0 | 0 | 114 | L269 | S265-L269 PolarHBondContact O-N 3.26Å |
| 266 | E | 67.3 | Low | 71 | Confident | 159 Ų | 159 | 91.1 Ų | 91.1 | 74% | 0.743 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -74.4 | -45.4 | 179 | -67 | -177.4 | 162 | 0 | 0 | 111.3 | N264 L268 L269 E270 | N264-E266 VanDerWaalsContact C-N 3.28Å; N264-E266 PolarHBondContact O-N 3.15Å; N264-E266 WeakPolarHBondContact OD1-CA 3.14Å; N264-E266 WeakPolarHBondContact OD1-CB 3.36Å; N264-E266 PolarHBondContact OD1-N 2.7Å; E266-L268 VanDerWaalsContact C-N 3.29Å; E266-L268 PolarHBondContact O-N 2.76Å; E266-L269 PolarHBondContact O-N 3.23Å; E266-E270 PolarHBondContact O-N 3.28Å |
| 267 | E | 70.3 | Confident | 70.9 | Confident | 86 Ų | 86 | 89.2 Ų | 89.2 | 40% | 0.402 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 176.8 | -67.8 | 169.1 | 155.3 | 0 | 0 | 111.5 | L263 N264 E270 I271 | L263-E267 WeakPolarHBondContact CA-OE2 3.34Å; L263-E267 HydrophobicContact CD2-CB 3.86Å; N264-E267 PolarHBondContact N-OE2 3.08Å; N264-E267 VanDerWaalsContact ND2-CD 3.26Å; N264-E267 PolarHBondContact ND2-OE2 2.81Å; N264-E267 PolarHBondContact O-N 3.43Å; N264-E267 PolarHBondContact OD1-N 2.88Å; E267-E270 PolarHBondContact O-N 2.62Å; E267-I271 WeakPolarHBondContact O-CG1 3.2Å; E267-I271 PolarHBondContact O-N 3.21Å; E267-I271 VanDerWaalsContact O-N 3.15Å |
| 268 | L | 72.6 | Confident | 70.5 | Confident | 28 Ų | 28 | 95.1 Ų | 95.1 | 15% | 0.147 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 177.5 | -163.5 | 125.7 | 0 | 0 | 0 | 112.1 | L260 L263 N264 E266 V272 L285 L287 | L260-L268 HydrophobicContact CD1-CD1 3.31Å; L263-L268 HydrophobicContact CB-CD1 4.48Å; L263-L268 HydrophobicContact CD1-CD1 4.19Å; N264-L268 WeakPolarHBondContact O-CB 3.41Å; N264-L268 PolarHBondContact O-N 3.04Å; E266-L268 VanDerWaalsContact C-N 3.29Å; E266-L268 PolarHBondContact O-N 2.76Å; L268-V272 VanDerWaalsContact O-CG2 3.28Å; L268-V272 WeakPolarHBondContact O-CG2 3.35Å; L268-V272 PolarHBondContact O-N 3.44Å; L268-L285 HydrophobicContact CD2-CD2 3.66Å; L268-L287 HydrophobicContact CD1-CD2 4.36Å |
| 269 | L | 73.5 | Confident | 70 | Confident | 74 Ų | 74 | 100.9 Ų | 100.9 | 39% | 0.387 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 174.9 | -97.4 | 157.1 | 0 | 0 | 0 | 112.5 | S265 E266 V272 K273 L282 | S265-L269 PolarHBondContact O-N 3.26Å; E266-L269 PolarHBondContact O-N 3.23Å; L269-V272 PolarHBondContact O-N 3Å; L269-K273 WeakPolarHBondContact O-CB 3.46Å; L269-K273 WeakPolarHBondContact O-CG 3.17Å; L269-K273 PolarHBondContact O-N 3.09Å; L269-L282 HydrophobicContact CD2-CD2 4.25Å |
| 270 | E | 74.2 | Confident | 69.5 | Low | 145 Ų | 145 | 97.2 Ų | 97.2 | 68% | 0.678 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -47.5 | 174.4 | -97.6 | -169.6 | 161 | 0 | 0 | 111.8 | E266 E267 V272 K273 E274 | E266-E270 PolarHBondContact O-N 3.28Å; E267-E270 PolarHBondContact O-N 2.62Å; E270-V272 VanDerWaalsContact C-N 3.27Å; E270-V272 PolarHBondContact O-N 3.3Å; E270-K273 PolarHBondContact O-N 2.89Å; E270-E274 PolarHBondContact O-N 3.29Å |
| 271 | I | 74.7 | Confident | 69.1 | Low | 25 Ų | 25 | 99.4 Ų | 99.4 | 13% | 0.128 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 178 | -66.6 | 166.9 | 0 | 0 | 0 | 111.3 | L254 P255 I258 L263 E267 | L254-I271 HydrophobicContact CD2-CD1 4.32Å; L254-I271 HydrophobicContact CD2-CG2 4.35Å; P255-I271 HydrophobicContact CG-CG2 4.49Å; I258-I271 HydrophobicContact CD1-CD1 4.48Å; L263-I271 HydrophobicContact CD1-CD1 3.85Å; L263-I271 HydrophobicContact CD2-CD1 3.93Å; E267-I271 WeakPolarHBondContact O-CG1 3.2Å; E267-I271 PolarHBondContact O-N 3.21Å; E267-I271 VanDerWaalsContact O-N 3.15Å |
| 272 | V | 73.7 | Confident | 68.5 | Low | 9 Ų | 9 | 95.6 Ų | 95.6 | 6% | 0.055 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -67.8 | -45.7 | 177.7 | 170.8 | 0 | 0 | 0 | 0 | 111 | I252 L268 L269 E270 E274 Q275 L276 L282 L285 | I252-V272 HydrophobicContact CD1-CG1 4.05Å; L268-V272 VanDerWaalsContact O-CG2 3.28Å; L268-V272 WeakPolarHBondContact O-CG2 3.35Å; L268-V272 PolarHBondContact O-N 3.44Å; L269-V272 PolarHBondContact O-N 3Å; E270-V272 VanDerWaalsContact C-N 3.27Å; E270-V272 PolarHBondContact O-N 3.3Å; V272-E274 VanDerWaalsContact C-N 3.31Å; V272-E274 PolarHBondContact O-N 2.84Å; V272-Q275 PolarHBondContact O-N 2.9Å; V272-L276 HydrophobicContact CG1-CD1 4.27Å; V272-L276 PolarHBondContact O-N 3.38Å; V272-L282 HydrophobicContact CG1-CD1 4.07Å; V272-L282 HydrophobicContact CG1-CD2 3.87Å; V272-L285 HydrophobicContact CB-CD1 4.47Å; V272-L285 HydrophobicContact CG1-CD1 3.96Å; V272-L285 HydrophobicContact CG2-CD1 3.69Å; V272-L285 HydrophobicContact CG2-CD2 4.11Å |
| 273 | K | 73 | Confident | 67.8 | Low | 140 Ų | 140 | 95.6 Ų | 95.6 | 61% | 0.609 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.1 | -36.9 | -179.8 | -78.1 | 178.3 | 179.6 | 178.5 | 0 | 112.7 | L269 E270 Q275 L276 | L269-K273 WeakPolarHBondContact O-CB 3.46Å; L269-K273 WeakPolarHBondContact O-CG 3.17Å; L269-K273 PolarHBondContact O-N 3.09Å; E270-K273 PolarHBondContact O-N 2.89Å; K273-Q275 PolarHBondContact O-N 3.5Å; K273-L276 PolarHBondContact O-N 3.37Å |
| 274 | E | 73.8 | Confident | 66.7 | Low | 173 Ų | 173 | 98.4 Ų | 98.4 | 81% | 0.808 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67 | -21.2 | 179.4 | -151.8 | 178.7 | -166.6 | 0 | 0 | 113.1 | E270 V272 | E270-E274 PolarHBondContact O-N 3.29Å; V272-E274 VanDerWaalsContact C-N 3.31Å; V272-E274 PolarHBondContact O-N 2.84Å |
| 275 | Q | 72.7 | Confident | 66.2 | Low | 80 Ų | 80 | 98 Ų | 98 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -1.8 | 179.4 | -63.4 | -164.4 | 34.3 | 0 | 0 | 114.6 | I252 A253 V272 K273 | I252-Q275 HydrophobicContact CD1-CB 4.25Å; I252-Q275 HydrophobicContact CG1-CB 4.37Å; I252-Q275 HydrophobicContact CG2-CB 4.33Å; I252-Q275 HydrophobicContact CG2-CG 4.4Å; A253-Q275 PolarHBondContact O-NE2 3.33Å; V272-Q275 PolarHBondContact O-N 2.9Å; K273-Q275 PolarHBondContact O-N 3.5Å |
| 276 | L | 70.1 | Confident | 65.6 | Low | 43 Ų | 43 | 102.5 Ų | 102.5 | 23% | 0.225 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -81 | 140.3 | 174 | -74.4 | 167.9 | 0 | 0 | 0 | 110.7 | V272 K273 A280 L282 | V272-L276 HydrophobicContact CG1-CD1 4.27Å; V272-L276 PolarHBondContact O-N 3.38Å; K273-L276 PolarHBondContact O-N 3.37Å; L276-A280 HydrophobicContact CD2-CB 4.46Å; L276-L282 HydrophobicContact CD1-CB 3.79Å; L276-L282 HydrophobicContact CD1-CD1 4.15Å; L276-L282 HydrophobicContact CD1-CG 4.4Å |
| 277 | P | 64 | Low | 65 | Low | 72 Ų | 72 | 100.9 Ų | 100.9 | 47% | 0.468 | 51% | 0.507 | S | S | . | . | trans | -56.8 | 146.4 | 168.6 | -19.9 | 30.4 | 0 | 0 | 0 | 111.5 | E279 A280 | P277-E279 PolarHBondContact O-N 2.94Å; P277-A280 HydrophobicContact CB-CB 4.21Å; P277-A280 HydrophobicContact CG-CB 4.21Å; P277-A280 PolarHBondContact O-N 3.13Å | ||
| 278 | E | 58.6 | Low | 64 | Low | 210 Ų | 210 | 101.2 Ų | 101.2 | 98% | 0.981 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.3 | -177 | -72 | -175.1 | 158 | 0 | 0 | 114.2 | ||
| 279 | E | 59.7 | Low | 62.4 | Low | 193 Ų | 193 | 104 Ų | 104 | 90% | 0.902 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.8 | 179.9 | -58.9 | -171 | -170.5 | 0 | 0 | 114.1 | P277 | P277-E279 PolarHBondContact O-N 2.94Š|
| 280 | A | 61.1 | Low | 60.7 | Low | 47 Ų | 47 | 110.6 Ų | 110.6 | 39% | 0.388 | 57% | 0.566 | S | S | . | * | trans | -87.3 | 134.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L276 P277 | L276-A280 HydrophobicContact CD2-CB 4.46Å; P277-A280 HydrophobicContact CB-CB 4.21Å; P277-A280 HydrophobicContact CG-CB 4.21Å; P277-A280 PolarHBondContact O-N 3.13Å | ||
| 281 | T | 60.5 | Low | 58.6 | Low | 124 Ų | 124 | 107 Ų | 107 | 76% | 0.761 | 57% | 0.568 | S | S | * | * | trans | -103.1 | 122.7 | 172.6 | -51.9 | 0 | 0 | 0 | 0 | 109.7 | T283 | T281-T283 PolarHBondContact O-N 2.81Š| ||
| 282 | L | 57.4 | Low | 56.3 | Low | 64 Ų | 64 | 113.5 Ų | 113.5 | 34% | 0.335 | 60% | 0.598 | S | S | . | * | trans | -70.2 | 111.8 | 176.2 | -172.2 | 70.9 | 0 | 0 | 0 | 110 | L269 V272 L276 D284 L285 | L269-L282 HydrophobicContact CD2-CD2 4.25Å; V272-L282 HydrophobicContact CG1-CD1 4.07Å; V272-L282 HydrophobicContact CG1-CD2 3.87Å; L276-L282 HydrophobicContact CD1-CB 3.79Å; L276-L282 HydrophobicContact CD1-CD1 4.15Å; L276-L282 HydrophobicContact CD1-CG 4.4Å; L282-D284 WeakPolarHBondContact CD1-O 3.15Å; L282-L285 HydrophobicContact CD2-CB 4.45Å | ||
| 283 | T | 55.9 | Low | 54 | Low | 121 Ų | 121 | 118 Ų | 118 | 74% | 0.742 | 63% | 0.629 | S | S | * | * | trans | -96.7 | -28.2 | 179.1 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | T281 | T281-T283 PolarHBondContact O-N 2.81Š| ||
| 284 | D | 50.8 | Low | 51.9 | Low | 94 Ų | 94 | 120.6 Ų | 120.6 | 50% | 0.503 | 64% | 0.644 | S | S | . | * | trans | -152.3 | 152.6 | 177.6 | -163.9 | 8.5 | 0 | 0 | 0 | 109.8 | L282 R286 | L282-D284 WeakPolarHBondContact CD1-O 3.15Å; D284-R286 IonicContact OD2-CZ 2.54Å; D284-R286 IonicContact OD2-NE 2.72Å; D284-R286 PolarHBondContact OD2-NE 3.01Å; D284-R286 IonicContact OD2-NH2 3.61Å; D284-R286 PolarHBondContact OD2-NH2 3.25Å | ||
| 285 | L | 58.7 | Low | 49.5 | Very low | 72 Ų | 72 | 121.1 Ų | 121.1 | 38% | 0.377 | 65% | 0.646 | S | S | . | * | trans | -138.9 | 121 | 177.1 | -178.2 | 74.1 | 0 | 0 | 0 | 109.5 | L268 V272 L282 | L268-L285 HydrophobicContact CD2-CD2 3.66Å; V272-L285 HydrophobicContact CB-CD1 4.47Å; V272-L285 HydrophobicContact CG1-CD1 3.96Å; V272-L285 HydrophobicContact CG2-CD1 3.69Å; V272-L285 HydrophobicContact CG2-CD2 4.11Å; L282-L285 HydrophobicContact CD2-CB 4.45Å | ||
| 286 | R | 55 | Low | 47.3 | Very low | 194 Ų | 194 | 120.5 Ų | 120.5 | 73% | 0.732 | 66% | 0.661 | S | S | * | * | trans | -124.9 | 136.8 | 179.3 | -61.2 | -176.8 | -171 | -175.6 | 4.3 | 111.4 | D284 | D284-R286 IonicContact OD2-CZ 2.54Å; D284-R286 IonicContact OD2-NE 2.72Å; D284-R286 PolarHBondContact OD2-NE 3.01Å; D284-R286 IonicContact OD2-NH2 3.61Å; D284-R286 PolarHBondContact OD2-NH2 3.25Å | ||
| 287 | L | 55.3 | Low | 45 | Very low | 124 Ų | 124 | 127 Ų | 127 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | trans | -85.8 | 119.3 | 173.1 | -68.2 | 167.5 | 0 | 0 | 0 | 109 | L260 L268 | L260-L287 HydrophobicContact CD1-CD2 3.73Å; L260-L287 HydrophobicContact CD2-CD1 4.29Å; L260-L287 HydrophobicContact CD2-CD2 4.15Å; L268-L287 HydrophobicContact CD1-CD2 4.36Å | ||
| 288 | V | 49.5 | Very low | 43 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 56% | 0.564 | 71% | 0.709 | S | S | * | * | trans | -105.3 | 117.4 | 176.3 | -168.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 289 | S | 38.8 | Very low | 41.3 | Very low | 88 Ų | 88 | 128.6 Ų | 128.6 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | trans | -73.9 | 138.3 | 172.3 | 51.1 | 0 | 0 | 0 | 0 | 110.4 | G291 | S289-G291 PolarHBondContact O-N 2.93Š| ||
| 290 | E | 36.5 | Very low | 39.6 | Very low | 212 Ų | 212 | 124.3 Ų | 124.3 | 99% | 0.991 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | 101.4 | 172.1 | -73.8 | -173.2 | 167.9 | 0 | 0 | 109.9 | ||
| 291 | G | 30.1 | Very low | 38 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 166.1 | -26.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | S289 | S289-G291 PolarHBondContact O-N 2.93Š|
| 292 | E | 26.4 | Very low | 36.1 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | trans | -113.9 | 78.5 | 178.9 | -66.6 | -177.6 | 174.3 | 0 | 0 | 109.9 | ||||
| 293 | S | 26.7 | Very low | 34.7 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -107.6 | 92 | 160.1 | 56.6 | 0 | 0 | 0 | 0 | 107.4 | Q295 | S293-Q295 PolarHBondContact O-N 3.38Å; S293-Q295 VanDerWaalsContact O-N 3.13Å | ||
| 294 | E | 28.3 | Very low | 33.1 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | trans | -69.5 | 106.8 | 162.9 | -79.4 | -165.9 | 159 | 0 | 0 | 107.7 | G296 | E294-G296 PolarHBondContact O-N 3.4Å; E294-G296 VanDerWaalsContact O-N 3.09Å | ||
| 295 | Q | 23.2 | Very low | 31.8 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -62.3 | 101.3 | 173.6 | -66.8 | 173.8 | -13.9 | 0 | 0 | 109.4 | S293 | S293-Q295 PolarHBondContact O-N 3.38Å; S293-Q295 VanDerWaalsContact O-N 3.13Å | ||
| 296 | G | 26.8 | Very low | 30.3 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | -91.4 | 103.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | E294 I298 | E294-G296 PolarHBondContact O-N 3.4Å; E294-G296 VanDerWaalsContact O-N 3.09Å; G296-I298 PolarHBondContact O-N 2.64Å; G296-I298 VanDerWaalsContact O-N 3.13Å | ||
| 297 | E | 21.8 | Very low | 28.6 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -53.4 | 110.3 | 174.6 | -72 | 177 | 135.9 | 0 | 0 | 111.8 | ||||
| 298 | I | 23 | Very low | 27.1 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 86% | 0.862 | 78% | 0.78 | S | S | * | * | trans | -90 | 100.1 | 159 | -60.4 | 176.6 | 0 | 0 | 0 | 106.8 | G296 | G296-I298 PolarHBondContact O-N 2.64Å; G296-I298 VanDerWaalsContact O-N 3.13Å | ||
| 299 | L | 22.8 | Very low | 25.7 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -73.8 | 141.5 | 164.5 | -83.2 | 166.6 | 0 | 0 | 0 | 109.8 | ||||
| 300 | P | 23.8 | Very low | 24.9 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | trans | -90.4 | 136.1 | -154.4 | 34 | -32.7 | 0 | 0 | 0 | 112.7 | ||||
| 301 | S | 26 | Very low | 24.3 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -91.5 | 93.9 | 156 | 59.8 | 0 | 0 | 0 | 0 | 108.8 | D303 | S301-D303 PolarHBondContact O-N 3.06Š| ||
| 302 | D | 22.2 | Very low | 23.9 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -57.2 | 116.5 | 153 | -97.7 | -34.5 | 0 | 0 | 0 | 108.2 | ||||
| 303 | D | 27.5 | Very low | 23.8 | Very low | 163 Ų | 163 | 143 Ų | 143 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -151.8 | 97.5 | 133.6 | -103 | -28.4 | 0 | 0 | 0 | 110.7 | S301 | S301-D303 PolarHBondContact O-N 3.06Š| ||
| 304 | S | 22.2 | Very low | 23.6 | Very low | 84 Ų | 84 | 146.1 Ų | 146.1 | 59% | 0.587 | 79% | 0.794 | S | S | * | * | trans | -60.6 | 156.1 | 166.8 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 305 | K | 24 | Very low | 23.6 | Very low | 180 Ų | 180 | 142 Ų | 142 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | 98.6 | 100.3 | 154.8 | -58.8 | 170.3 | -174.9 | 173 | 0 | 116.7 | ||||
| 306 | N | 26 | Very low | 23.5 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | -169.5 | 99.1 | 95.8 | -90 | -28.7 | 0 | 0 | 0 | 111.5 | |||||
| 307 | L | 19.7 | Very low | 23.1 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 131.8 | 149.2 | -82.1 | 146.5 | 0 | 0 | 0 | 107.9 | ||||
| 308 | T | 23.9 | Very low | 23.2 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | -166.6 | 130.3 | 124.6 | 41 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 309 | S | 19.5 | Very low | 23.4 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -59.3 | 151.7 | 163 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 310 | K | 22.4 | Very low | 23.4 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | 161.4 | 149.6 | 120.4 | -93 | 177.7 | 176.8 | 179.1 | 0 | 113.9 | |||||
| 311 | Q | 24.4 | Very low | 23.5 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | 78 | 109.8 | 157.5 | -71.2 | 161.1 | -25 | 0 | 0 | 115.7 | ||||
| 312 | A | 20.3 | Very low | 23.5 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | 56.2 | 99.6 | 52.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 313 | D | 24.7 | Very low | 23.8 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | -169 | 133.7 | 125.7 | -111 | -23.4 | 0 | 0 | 0 | 114.8 | |||||
| 314 | H | 23.4 | Very low | 24 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -2.4 | 130.9 | 151.1 | -74.7 | -82.6 | 0 | 0 | 0 | 121.7 | ||||
| 315 | S | 28 | Very low | 24.3 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 169.4 | 116.2 | 103.5 | 78.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 316 | L | 21.3 | Very low | 24.3 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | 53.5 | 99.7 | 83.5 | -96.7 | 147.5 | 0 | 0 | 0 | 115.3 | |||||
| 317 | M | 19.2 | Very low | 24.4 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 80% | 0.803 | 79% | 0.79 | S | S | * | * | 66.6 | 120.7 | 126.6 | -85.4 | -71.6 | -144 | 0 | 0 | 120.4 | |||||
| 318 | T | 22.6 | Very low | 24.7 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | 109.3 | 99.9 | 135.7 | -35.1 | 0 | 0 | 0 | 0 | 118.5 | L320 | T318-L320 HydrophobicContact CG2-CD1 3.98Š| ||
| 319 | A | 28.2 | Very low | 24.7 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | -166.2 | 93.2 | 138.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 320 | L | 21.2 | Very low | 24.9 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | 38 | 97.5 | 75.7 | -76.3 | 169.8 | 0 | 0 | 0 | 114.2 | T318 | T318-L320 HydrophobicContact CG2-CD1 3.98Š| |||
| 321 | M | 27.6 | Very low | 24.8 | Very low | 170 Ų | 170 | 143 Ų | 143 | 84% | 0.837 | 79% | 0.792 | S | S | * | * | 150.9 | 102.5 | 128.2 | -71.9 | -117.9 | 171.9 | 0 | 0 | 113.9 | |||||
| 322 | S | 25.3 | Very low | 24.7 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 68.8 | 155.3 | 138.6 | -60.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 323 | P | 28.6 | Very low | 24.7 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -110.7 | -162.7 | -142.4 | 46.3 | -37.5 | 0 | 0 | 0 | 114 | ||||
| 324 | P | 31.9 | Very low | 24.6 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | -95.7 | 152.6 | -105.8 | 32.9 | -15.1 | 0 | 0 | 0 | 112.8 | |||||
| 325 | K | 27.5 | Very low | 24.5 | Very low | 204 Ų | 204 | 138.7 Ų | 138.7 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | -101.8 | 112.5 | 158.5 | -79.9 | -172.9 | 174.7 | -177.1 | 0 | 108.2 | D327 | K325-D327 PolarHBondContact O-N 2.97Å; K325-D327 VanDerWaalsContact O-N 3.13Å | ||
| 326 | D | 25.5 | Very low | 24.4 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -46.4 | 109.4 | 159.9 | -86 | -42 | 0 | 0 | 0 | 109.8 | ||||
| 327 | D | 28.1 | Very low | 24.7 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -151.5 | 56.4 | 151.2 | -90.1 | -33.3 | 0 | 0 | 0 | 106.1 | K325 K329 | K325-D327 PolarHBondContact O-N 2.97Å; K325-D327 VanDerWaalsContact O-N 3.13Å; D327-K329 VanDerWaalsContact C-N 3.27Å; D327-K329 PolarHBondContact O-N 3.4Å | ||
| 328 | Q | 25.7 | Very low | 25.4 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -71.6 | 92.1 | 164 | -84.3 | -173 | -2.8 | 0 | 0 | 108.1 | ||||
| 329 | K | 23.7 | Very low | 25.9 | Very low | 182 Ų | 182 | 147 Ų | 147 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -51.5 | 133.1 | 151.5 | -72.5 | 177.5 | 176.8 | 177.5 | 0 | 108 | D327 V331 | D327-K329 VanDerWaalsContact C-N 3.27Å; D327-K329 PolarHBondContact O-N 3.4Å; K329-V331 PolarHBondContact O-N 2.86Å; K329-V331 VanDerWaalsContact O-N 3.17Å | ||
| 330 | P | 23.7 | Very low | 26.1 | Very low | 110 Ų | 110 | 146 Ų | 146 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -64 | 121.5 | -177.5 | 24.6 | -31.1 | 0 | 0 | 0 | 109.6 | T332 | P330-T332 PolarHBondContact O-N 2.93Š| ||
| 331 | V | 20.2 | Very low | 26.5 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | -68.7 | 89.6 | 156.8 | 177.3 | 0 | 0 | 0 | 0 | 105.8 | K329 G333 | K329-V331 PolarHBondContact O-N 2.86Å; K329-V331 VanDerWaalsContact O-N 3.17Å; V331-G333 VanDerWaalsContact C-N 3.3Å; V331-G333 PolarHBondContact O-N 3.34Å | ||
| 332 | T | 21.6 | Very low | 27.1 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | trans | -75.9 | 91.1 | 159.1 | 44.7 | 0 | 0 | 0 | 0 | 106.8 | P330 L334 | P330-T332 PolarHBondContact O-N 2.93Å; T332-L334 PolarHBondContact O-N 3.23Å | ||
| 333 | G | 21.3 | Very low | 27.6 | Very low | 61 Ų | 61 | 138.1 Ų | 138.1 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | trans | -64.4 | 110.8 | 165 | 0 | 0 | 0 | 0 | 0 | 108.4 | V331 L335 | V331-G333 VanDerWaalsContact C-N 3.3Å; V331-G333 PolarHBondContact O-N 3.34Å; G333-L335 PolarHBondContact O-N 3.2Å; G333-L335 VanDerWaalsContact O-N 3.17Å | ||
| 334 | L | 21.8 | Very low | 28 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | trans | -61.3 | 112.5 | 160.8 | -111.8 | 83.5 | 0 | 0 | 0 | 106.7 | T332 D336 | T332-L334 PolarHBondContact O-N 3.23Å; L334-D336 PolarHBondContact O-N 3.43Å; L334-D336 VanDerWaalsContact O-N 3.16Å | ||
| 335 | L | 22.5 | Very low | 28.1 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | trans | -71.9 | 99.7 | 163.8 | -75.8 | 162.4 | 0 | 0 | 0 | 107.1 | G333 K337 | G333-L335 PolarHBondContact O-N 3.2Å; G333-L335 VanDerWaalsContact O-N 3.17Å; L335-K337 PolarHBondContact O-N 2.88Å | ||
| 336 | D | 24.5 | Very low | 28.4 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 75% | 0.754 | 67% | 0.668 | S | S | * | * | trans | -63.6 | 98.9 | 170.3 | -116.3 | -20.9 | 0 | 0 | 0 | 108.8 | L334 K338 | L334-D336 PolarHBondContact O-N 3.43Å; L334-D336 VanDerWaalsContact O-N 3.16Å; D336-K338 PolarHBondContact O-N 2.94Å | ||
| 337 | K | 27.4 | Very low | 29 | Very low | 196 Ų | 196 | 125.9 Ų | 125.9 | 85% | 0.852 | 66% | 0.661 | S | S | * | * | trans | -75.7 | 82.4 | 168.8 | -71.8 | -172.6 | 178.5 | -176.7 | 0 | 107.9 | L335 K339 | L335-K337 PolarHBondContact O-N 2.88Å; K337-K339 PolarHBondContact O-N 3.34Å | ||
| 338 | K | 33.6 | Very low | 29.5 | Very low | 188 Ų | 188 | 122.5 Ų | 122.5 | 82% | 0.817 | 64% | 0.642 | S | S | * | * | trans | -49.2 | 106.5 | 171.5 | -66.1 | -175.5 | 176 | -169.1 | 0 | 109.8 | D336 | D336-K338 PolarHBondContact O-N 2.94Š| ||
| 339 | K | 33.5 | Very low | 29.8 | Very low | 176 Ų | 176 | 117.8 Ų | 117.8 | 77% | 0.765 | 62% | 0.622 | S | S | * | * | trans | -87.7 | 137.2 | 165 | -82.2 | -175.2 | 176.9 | -179 | 0 | 108.6 | K337 | K337-K339 PolarHBondContact O-N 3.34Š| ||
| 340 | P | 32.6 | Very low | 30.5 | Very low | 75 Ų | 75 | 114.7 Ų | 114.7 | 49% | 0.487 | 61% | 0.614 | S | S | . | * | trans | -82.1 | 136.6 | -171.1 | 35.3 | -36.8 | 0 | 0 | 0 | 110.9 | A344 T345 M348 | P340-A344 HydrophobicContact CB-CB 3.56Å; P340-A344 HydrophobicContact CG-CB 4.19Å; P340-T345 PolarHBondContact O-OG1 3.07Å; P340-M348 HydrophobicContact CG-SD 4.26Å | ||
| 341 | G | 31 | Very low | 31.1 | Very low | 28 Ų | 28 | 112.3 Ų | 112.3 | 29% | 0.289 | 60% | 0.595 | S | S | . | * | trans | -63.2 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E343 A344 T345 | G341-E343 VanDerWaalsContact C-N 3.26Å; G341-E343 PolarHBondContact O-N 3.24Å; G341-A344 CarbonylContact O-C 3.56Å; G341-A344 VanDerWaalsContact O-CA 3.31Å; G341-A344 WeakPolarHBondContact O-CA 3.42Å; G341-A344 VanDerWaalsContact O-CB 3.28Å; G341-A344 WeakPolarHBondContact O-CB 3.28Å; G341-A344 PolarHBondContact O-N 3.43Å; G341-T345 PolarHBondContact O-N 3.5Å; G341-T345 PolarHBondContact O-OG1 3.4Å | ||
| 342 | I | 38.6 | Very low | 31.9 | Very low | 97 Ų | 97 | 110.1 Ų | 110.1 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -50.7 | -36 | -168.4 | -64.4 | 169.4 | 0 | 0 | 0 | 114.3 | T345 K346 | I342-T345 CarbonylContact O-C 3.48Å; I342-T345 WeakPolarHBondContact O-CB 3.33Å; I342-T345 PolarHBondContact O-N 3.48Å; I342-K346 WeakPolarHBondContact O-CB 3.28Å; I342-K346 WeakPolarHBondContact O-CG 3.41Å; I342-K346 PolarHBondContact O-N 2.93Å |
| 343 | E | 36.2 | Very low | 32.4 | Very low | 142 Ų | 142 | 109.9 Ų | 109.9 | 66% | 0.664 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.1 | -37.7 | 176.9 | -156.7 | 66.5 | -158 | 0 | 0 | 111.5 | G341 T345 K346 K347 | G341-E343 VanDerWaalsContact C-N 3.26Å; G341-E343 PolarHBondContact O-N 3.24Å; E343-T345 VanDerWaalsContact C-N 3.33Å; E343-K346 PolarHBondContact O-N 2.85Å; E343-K347 VanDerWaalsContact O-CB 3.28Å; E343-K347 WeakPolarHBondContact O-CB 3.4Å; E343-K347 PolarHBondContact O-N 3.22Å |
| 344 | A | 36.8 | Very low | 33.1 | Very low | 35 Ų | 35 | 110 Ų | 110 | 29% | 0.289 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.3 | -28.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P340 G341 M348 | P340-A344 HydrophobicContact CB-CB 3.56Å; P340-A344 HydrophobicContact CG-CB 4.19Å; G341-A344 CarbonylContact O-C 3.56Å; G341-A344 VanDerWaalsContact O-CA 3.31Å; G341-A344 WeakPolarHBondContact O-CA 3.42Å; G341-A344 VanDerWaalsContact O-CB 3.28Å; G341-A344 WeakPolarHBondContact O-CB 3.28Å; G341-A344 PolarHBondContact O-N 3.43Å; A344-M348 WeakPolarHBondContact O-CA 3.48Å; A344-M348 WeakPolarHBondContact O-CB 3.3Å; A344-M348 WeakPolarHBondContact O-CG 3.43Å; A344-M348 PolarHBondContact O-N 3.3Å |
| 345 | T | 33.8 | Very low | 33.6 | Very low | 61 Ų | 61 | 105.5 Ų | 105.5 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.9 | -39.7 | 170.2 | -42.9 | 0 | 0 | 0 | 0 | 111.9 | P340 G341 I342 E343 M348 L349 | P340-T345 PolarHBondContact O-OG1 3.07Å; G341-T345 PolarHBondContact O-N 3.5Å; G341-T345 PolarHBondContact O-OG1 3.4Å; I342-T345 CarbonylContact O-C 3.48Å; I342-T345 WeakPolarHBondContact O-CB 3.33Å; I342-T345 PolarHBondContact O-N 3.48Å; E343-T345 VanDerWaalsContact C-N 3.33Å; T345-M348 CarbonylContact O-C 3.57Å; T345-M348 PolarHBondContact O-N 3.35Å; T345-L349 HydrophobicContact CG2-CD1 4.16Å; T345-L349 WeakPolarHBondContact O-CB 3.22Å; T345-L349 PolarHBondContact O-N 3.4Å |
| 346 | K | 34.5 | Very low | 34.2 | Very low | 84 Ų | 84 | 101.5 Ų | 101.5 | 37% | 0.365 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 173.1 | -81.1 | -179.1 | 177.8 | 176.5 | 0 | 111.2 | I342 E343 M348 L349 N350 | I342-K346 WeakPolarHBondContact O-CB 3.28Å; I342-K346 WeakPolarHBondContact O-CG 3.41Å; I342-K346 PolarHBondContact O-N 2.93Å; E343-K346 PolarHBondContact O-N 2.85Å; K346-M348 VanDerWaalsContact C-N 3.35Å; K346-L349 PolarHBondContact O-N 3Å; K346-N350 WeakPolarHBondContact O-CB 3.23Å; K346-N350 PolarHBondContact O-N 3.35Å |
| 347 | K | 38.2 | Very low | 35 | Very low | 145 Ų | 145 | 101.3 Ų | 101.3 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -45 | 170.3 | -171.2 | 177.2 | 178.1 | -178.3 | 0 | 110.3 | E343 L349 D351 | E343-K347 VanDerWaalsContact O-CB 3.28Å; E343-K347 WeakPolarHBondContact O-CB 3.4Å; E343-K347 PolarHBondContact O-N 3.22Å; K347-L349 PolarHBondContact O-N 2.6Å; K347-D351 WeakPolarHBondContact O-CA 3.44Å; K347-D351 WeakPolarHBondContact O-CB 3.37Å; K347-D351 PolarHBondContact O-N 3.48Å |
| 348 | M | 37.7 | Very low | 35.6 | Very low | 85 Ų | 85 | 95 Ų | 95 | 42% | 0.419 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -35.7 | 175.7 | -82.9 | -176.8 | 91.7 | 0 | 0 | 113 | P340 A344 T345 K346 D351 Y352 | P340-M348 HydrophobicContact CG-SD 4.26Å; A344-M348 WeakPolarHBondContact O-CA 3.48Å; A344-M348 WeakPolarHBondContact O-CB 3.3Å; A344-M348 WeakPolarHBondContact O-CG 3.43Å; A344-M348 PolarHBondContact O-N 3.3Å; T345-M348 CarbonylContact O-C 3.57Å; T345-M348 PolarHBondContact O-N 3.35Å; K346-M348 VanDerWaalsContact C-N 3.35Å; M348-D351 CarbonylContact O-C 3.47Å; M348-Y352 WeakPolarHBondContact O-CA 3.43Å; M348-Y352 WeakPolarHBondContact O-CB 3.44Å; M348-Y352 PolarHBondContact O-N 3.12Å |
| 349 | L | 33.3 | Very low | 36.3 | Very low | 88 Ų | 88 | 87.2 Ų | 87.2 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -76.8 | -40 | 179.1 | -88.4 | 159.9 | 0 | 0 | 0 | 112.1 | T345 K346 K347 D351 Y352 H353 | T345-L349 HydrophobicContact CG2-CD1 4.16Å; T345-L349 WeakPolarHBondContact O-CB 3.22Å; T345-L349 PolarHBondContact O-N 3.4Å; K346-L349 PolarHBondContact O-N 3Å; K347-L349 PolarHBondContact O-N 2.6Å; L349-D351 VanDerWaalsContact C-N 3.34Å; L349-Y352 CarbonylContact O-C 3.48Å; L349-Y352 WeakPolarHBondContact O-CA 3.2Å; L349-Y352 VanDerWaalsContact O-CB 3.29Å; L349-Y352 WeakPolarHBondContact O-CB 3.38Å; L349-Y352 PolarHBondContact O-N 3.45Å; L349-Y352 VanDerWaalsContact O-N 3.09Å; L349-H353 PolarHBondContact O-CD2 3.34Å; L349-H353 VanDerWaalsContact O-CD2 3.27Å; L349-H353 PolarHBondContact O-N 3.45Å |
| 350 | N | 37.5 | Very low | 37.7 | Very low | 117 Ų | 117 | 86.7 Ų | 86.7 | 63% | 0.626 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 169.7 | -81 | -18.2 | 0 | 0 | 0 | 110.7 | K346 Y352 H353 C354 | K346-N350 WeakPolarHBondContact O-CB 3.23Å; K346-N350 PolarHBondContact O-N 3.35Å; N350-Y352 PolarHBondContact O-N 3.4Å; N350-H353 PolarHBondContact O-N 3.38Å; N350-C354 WeakPolarHBondContact O-CB 3.39Å; N350-C354 PolarHBondContact O-N 2.73Å |
| 351 | D | 36.5 | Very low | 39.6 | Very low | 59 Ų | 59 | 83.1 Ų | 83.1 | 32% | 0.316 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.2 | -31.6 | 168.4 | -72.9 | -17.5 | 0 | 0 | 0 | 110.5 | K347 M348 L349 C354 K355 | K347-D351 WeakPolarHBondContact O-CA 3.44Å; K347-D351 WeakPolarHBondContact O-CB 3.37Å; K347-D351 PolarHBondContact O-N 3.48Å; M348-D351 CarbonylContact O-C 3.47Å; L349-D351 VanDerWaalsContact C-N 3.34Å; D351-C354 CarbonylContact O-C 3.52Å; D351-C354 PolarHBondContact O-N 3.44Å; D351-K355 HydrophobicContact CB-CD 4.29Å; D351-K355 WeakPolarHBondContact O-CA 3.16Å; D351-K355 WeakPolarHBondContact O-CB 3.33Å; D351-K355 WeakPolarHBondContact O-CD 3.34Å; D351-K355 WeakPolarHBondContact O-CG 3.5Å; D351-K355 PolarHBondContact O-N 2.65Å |
| 352 | Y | 37 | Very low | 42.3 | Very low | 98 Ų | 98 | 84.3 Ų | 84.3 | 38% | 0.384 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.3 | -46.2 | 179.2 | -172.5 | -97.1 | 0 | 0 | 0 | 110.7 | M348 L349 N350 C354 K355 Q356 | M348-Y352 WeakPolarHBondContact O-CA 3.43Å; M348-Y352 WeakPolarHBondContact O-CB 3.44Å; M348-Y352 PolarHBondContact O-N 3.12Å; L349-Y352 CarbonylContact O-C 3.48Å; L349-Y352 WeakPolarHBondContact O-CA 3.2Å; L349-Y352 VanDerWaalsContact O-CB 3.29Å; L349-Y352 WeakPolarHBondContact O-CB 3.38Å; L349-Y352 PolarHBondContact O-N 3.45Å; L349-Y352 VanDerWaalsContact O-N 3.09Å; N350-Y352 PolarHBondContact O-N 3.4Å; Y352-C354 VanDerWaalsContact C-N 3.32Å; Y352-C354 PolarHBondContact O-N 3.18Å; Y352-K355 PolarHBondContact O-N 3.35Å; Y352-Q356 HydrophobicContact CD1-CG 4.33Å; Y352-Q356 HydrophobicContact CE1-CG 4.07Å; Y352-Q356 WeakPolarHBondContact O-CB 3.16Å; Y352-Q356 WeakPolarHBondContact O-CG 3.25Å; Y352-Q356 PolarHBondContact O-N 2.81Å; Y352-Q356 PolarHBondContact OH-NE2 3.27Å; Y352-Q356 VanDerWaalsContact OH-NE2 3.14Å |
| 353 | H | 32.9 | Very low | 44.9 | Very low | 113 Ų | 113 | 80.5 Ų | 80.5 | 52% | 0.523 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66 | -35.3 | 172.4 | -71.6 | -59.6 | 0 | 0 | 0 | 111.9 | L349 N350 K357 | L349-H353 PolarHBondContact O-CD2 3.34Å; L349-H353 VanDerWaalsContact O-CD2 3.27Å; L349-H353 PolarHBondContact O-N 3.45Å; N350-H353 PolarHBondContact O-N 3.38Å; H353-K357 WeakPolarHBondContact O-CB 3.49Å; H353-K357 VanDerWaalsContact O-CG 3.31Å; H353-K357 WeakPolarHBondContact O-CG 3.1Å; H353-K357 PolarHBondContact O-N 2.74Å; H353-K357 VanDerWaalsContact O-N 3.16Å |
| 354 | C | 34.4 | Very low | 47.6 | Very low | 64 Ų | 64 | 77.4 Ų | 77.4 | 43% | 0.432 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 172.5 | -167.1 | 0 | 0 | 0 | 0 | 112.2 | N350 D351 Y352 K357 K358 | N350-C354 WeakPolarHBondContact O-CB 3.39Å; N350-C354 PolarHBondContact O-N 2.73Å; D351-C354 CarbonylContact O-C 3.52Å; D351-C354 PolarHBondContact O-N 3.44Å; Y352-C354 VanDerWaalsContact C-N 3.32Å; Y352-C354 PolarHBondContact O-N 3.18Å; C354-K357 WeakPolarHBondContact O-CB 3.29Å; C354-K357 PolarHBondContact O-N 2.94Å; C354-K358 WeakPolarHBondContact O-CG 3.25Å; C354-K358 PolarHBondContact O-N 3.13Å |
| 355 | K | 33.4 | Very low | 50.4 | Low | 63 Ų | 63 | 77 Ų | 77 | 27% | 0.274 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -79.1 | -34.7 | -178.8 | -75.5 | 169.4 | -179 | -172.7 | 0 | 112.7 | D351 Y352 K357 K358 S359 G799 V801 | D351-K355 HydrophobicContact CB-CD 4.29Å; D351-K355 WeakPolarHBondContact O-CA 3.16Å; D351-K355 WeakPolarHBondContact O-CB 3.33Å; D351-K355 WeakPolarHBondContact O-CD 3.34Å; D351-K355 WeakPolarHBondContact O-CG 3.5Å; D351-K355 PolarHBondContact O-N 2.65Å; Y352-K355 PolarHBondContact O-N 3.35Å; K355-K357 VanDerWaalsContact C-N 3.31Å; K355-K358 HydrophobicContact CG-CD 4.23Å; K355-K358 WeakPolarHBondContact O-CA 3.32Å; K355-K358 VanDerWaalsContact O-CB 3.32Å; K355-K358 WeakPolarHBondContact O-CB 3.17Å; K355-K358 PolarHBondContact O-N 2.64Å; K355-K358 VanDerWaalsContact O-N 3.14Å; K355-S359 PolarHBondContact O-N 2.97Å; K355-G799 PolarHBondContact NZ-O 3.08Å; K355-V801 HydrophobicContact CB-CB 4.48Å; K355-V801 HydrophobicContact CB-CG2 4.41Å |
| 356 | Q | 34 | Very low | 53.4 | Low | 76 Ų | 76 | 78.6 Ų | 78.6 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 165.7 | -75.8 | -152.4 | -2.1 | 0 | 0 | 111.4 | Y352 K358 S359 | Y352-Q356 HydrophobicContact CD1-CG 4.33Å; Y352-Q356 HydrophobicContact CE1-CG 4.07Å; Y352-Q356 WeakPolarHBondContact O-CB 3.16Å; Y352-Q356 WeakPolarHBondContact O-CG 3.25Å; Y352-Q356 PolarHBondContact O-N 2.81Å; Y352-Q356 PolarHBondContact OH-NE2 3.27Å; Y352-Q356 VanDerWaalsContact OH-NE2 3.14Å; Q356-K358 VanDerWaalsContact C-N 3.27Å; Q356-K358 PolarHBondContact O-N 2.87Å; Q356-S359 PolarHBondContact O-N 3.4Å; Q356-S359 PolarHBondContact O-OG 2.81Å |
| 357 | K | 41.2 | Very low | 56.4 | Low | 138 Ų | 138 | 74.8 Ų | 74.8 | 60% | 0.6 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.2 | -33.5 | 170.5 | -78.1 | 176.7 | -178.1 | 178.5 | 0 | 112 | H353 C354 K355 | H353-K357 WeakPolarHBondContact O-CB 3.49Å; H353-K357 VanDerWaalsContact O-CG 3.31Å; H353-K357 WeakPolarHBondContact O-CG 3.1Å; H353-K357 PolarHBondContact O-N 2.74Å; H353-K357 VanDerWaalsContact O-N 3.16Å; C354-K357 WeakPolarHBondContact O-CB 3.29Å; C354-K357 PolarHBondContact O-N 2.94Å; K355-K357 VanDerWaalsContact C-N 3.31Å |
| 358 | K | 42.1 | Very low | 59.2 | Low | 64 Ų | 64 | 71.9 Ų | 71.9 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.2 | -51.9 | 171.4 | -71.2 | 160.4 | 161.7 | -159.5 | 0 | 109.6 | C354 K355 Q356 R360 G361 N821 L822 | C354-K358 WeakPolarHBondContact O-CG 3.25Å; C354-K358 PolarHBondContact O-N 3.13Å; K355-K358 HydrophobicContact CG-CD 4.23Å; K355-K358 WeakPolarHBondContact O-CA 3.32Å; K355-K358 VanDerWaalsContact O-CB 3.32Å; K355-K358 WeakPolarHBondContact O-CB 3.17Å; K355-K358 PolarHBondContact O-N 2.64Å; K355-K358 VanDerWaalsContact O-N 3.14Å; Q356-K358 VanDerWaalsContact C-N 3.27Å; Q356-K358 PolarHBondContact O-N 2.87Å; K358-R360 PolarHBondContact O-N 2.72Å; K358-G361 PolarHBondContact O-N 3.14Å; K358-G361 VanDerWaalsContact O-N 3.13Å; K358-N821 PolarHBondContact O-ND2 2.96Å; K358-L822 HydrophobicContact CB-CD2 4.09Å; K358-L822 HydrophobicContact CD-CD2 3.5Å; K358-L822 HydrophobicContact CG-CD2 3.93Å |
| 359 | S | 47 | Very low | 62.1 | Low | 23 Ų | 23 | 72.2 Ų | 72.2 | 16% | 0.161 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.2 | -16.1 | -177.1 | 78.5 | 0 | 0 | 0 | 0 | 116.4 | K355 Q356 G361 | K355-S359 PolarHBondContact O-N 2.97Å; Q356-S359 PolarHBondContact O-N 3.4Å; Q356-S359 PolarHBondContact O-OG 2.81Å; S359-G361 PolarHBondContact O-N 2.82Å; S359-G361 VanDerWaalsContact O-N 3.14Å |
| 360 | R | 62.7 | Low | 65.2 | Low | 166 Ų | 166 | 68 Ų | 68 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 2.7 | 174.8 | -67.6 | -176.7 | 176.2 | -178.4 | -1.6 | 115.1 | K358 N362 K633 | K358-R360 PolarHBondContact O-N 2.72Å; R360-N362 VanDerWaalsContact C-N 3.31Å; R360-N362 PolarHBondContact O-N 3.47Å; R360-K633 PolarHBondContact O-NZ 3.44Å |
| 361 | G | 73.7 | Confident | 68.1 | Low | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K358 S359 K633 Y759 S818 | K358-G361 PolarHBondContact O-N 3.14Å; K358-G361 VanDerWaalsContact O-N 3.13Å; S359-G361 PolarHBondContact O-N 2.82Å; S359-G361 VanDerWaalsContact O-N 3.14Å; G361-K633 PolarHBondContact O-NZ 2.78Å; G361-Y759 PolarHBondContact O-OH 3.18Å; G361-Y759 VanDerWaalsContact O-OH 3.13Å; G361-S818 WeakPolarHBondContact CA-OG 3.34Å |
| 362 | N | 87.4 | Confident | 71 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | trans | -76.9 | 129 | 172.3 | -70.3 | -25.5 | 0 | 0 | 0 | 108.7 | R360 T638 N821 | R360-N362 VanDerWaalsContact C-N 3.31Å; R360-N362 PolarHBondContact O-N 3.47Å; N362-T638 VanDerWaalsContact OD1-CG2 3.25Å; N362-T638 WeakPolarHBondContact OD1-CG2 3.35Å; N362-N821 WeakPolarHBondContact O-CA 3.28Å; N362-N821 WeakPolarHBondContact O-CB 3.47Å | ||
| 363 | P | 93.4 | Very high | 74 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | trans | -64.8 | 145 | 176.9 | 31.1 | -38.1 | 0 | 0 | 0 | 111.2 | W365 K633 Y759 A820 | P363-W365 VanDerWaalsContact C-N 3.3Å; P363-W365 HydrophobicContact CB-CD2 3.62Å; P363-W365 HydrophobicContact CB-CE3 3.91Å; P363-W365 HydrophobicContact CB-CG 4.25Å; P363-W365 HydrophobicContact CB-CH2 3.8Å; P363-W365 HydrophobicContact CB-CZ2 3.48Å; P363-W365 VanDerWaalsContact CB-CZ2 3.48Å; P363-W365 HydrophobicContact CB-CZ3 4.01Å; P363-K633 WeakPolarHBondContact CG-O 3.26Å; P363-Y759 WeakPolarHBondContact CD-OH 3.16Å; P363-A820 CarbonylContact C-O 3.59Å; P363-A820 VanDerWaalsContact CA-O 3.29Å; P363-A820 WeakPolarHBondContact CA-O 3.47Å; P363-A820 HydrophobicContact CB-CB 4.34Å | ||
| 364 | N | 92.9 | Very high | 77.1 | Confident | 77 Ų | 77 | 57.4 Ų | 57.4 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -93 | 17.4 | 173.6 | 64.9 | 5 | 0 | 0 | 0 | 113.6 | R738 A820 N821 L822 | N364-R738 PolarHBondContact ND2-NH2 2.93Å; N364-R738 VanDerWaalsContact ND2-NH2 3.15Å; N364-R738 PolarHBondContact OD1-NH1 2.96Å; N364-R738 PolarHBondContact OD1-NH2 3.11Å; N364-A820 PolarHBondContact N-O 2.85Å; N364-A820 PolarHBondContact OD1-O 3.42Å; N364-N821 PolarHBondContact ND2-O 3.19Å; N364-L822 PolarHBondContact ND2-O 3.37Å |
| 365 | W | 94.8 | Very high | 80.2 | Confident | 26 Ų | 26 | 57 Ų | 57 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | trans | -119.7 | 161.3 | 172.1 | 60.9 | 85.7 | 0 | 0 | 0 | 111.1 | P363 F610 L634 G636 I734 V735 Y759 A820 | P363-W365 VanDerWaalsContact C-N 3.3Å; P363-W365 HydrophobicContact CB-CD2 3.62Å; P363-W365 HydrophobicContact CB-CE3 3.91Å; P363-W365 HydrophobicContact CB-CG 4.25Å; P363-W365 HydrophobicContact CB-CH2 3.8Å; P363-W365 HydrophobicContact CB-CZ2 3.48Å; P363-W365 VanDerWaalsContact CB-CZ2 3.48Å; P363-W365 HydrophobicContact CB-CZ3 4.01Å; W365-F610 AromaticContact CZ2-CE1 3.97Å; W365-F610 HydrophobicContact CZ2-CE1 3.97Å; W365-F610 AromaticContact CZ2-CZ 3.88Å; W365-F610 HydrophobicContact CZ2-CZ 3.88Å; W365-L634 PolarHBondContact NE1-O 2.66Å; W365-G636 WeakPolarHBondContact O-CA 3.47Å; W365-I734 HydrophobicContact CE3-CG2 4.19Å; W365-I734 HydrophobicContact CZ3-CG2 3.94Å; W365-V735 HydrophobicContact CH2-CG1 3.62Å; W365-V735 HydrophobicContact CZ2-CG1 4.49Å; W365-V735 HydrophobicContact CZ3-CG1 4.28Å; W365-Y759 HydrophobicContact CH2-CE2 4.29Å; W365-Y759 HydrophobicContact CZ2-CE2 4.26Å; W365-A820 HydrophobicContact CH2-CB 3.63Å; W365-A820 HydrophobicContact CZ3-CB 4.02Å; W365-A820 WeakPolarHBondContact CZ3-O 3.23Å | ||
| 366 | I | 96.5 | Very high | 83.3 | Confident | 94 Ų | 94 | 56.3 Ų | 56.3 | 48% | 0.482 | 27% | 0.274 | S | S | . | . | trans | -137.7 | 152.7 | 177.2 | 61.3 | 166.7 | 0 | 0 | 0 | 110.9 | T368 Y727 | I366-T368 HydrophobicContact CD1-CG2 4.17Å; I366-T368 HydrophobicContact CG1-CG2 4.14Å; I366-T368 PolarHBondContact O-N 2.97Å; I366-Y727 VanDerWaalsContact C-OH 3.31Å | ||
| 367 | N | 97.7 | Very high | 86.3 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | trans | -83.9 | 107.3 | 166.1 | -178.2 | -51 | 0 | 0 | 0 | 109.3 | K369 A370 R371 F635 F714 T717 Y727 | N367-K369 PolarHBondContact OD1-N 3.32Å; N367-A370 WeakPolarHBondContact OD1-CB 3.48Å; N367-A370 PolarHBondContact OD1-N 3.47Å; N367-R371 VanDerWaalsContact N-NH1 3.15Å; N367-R371 WeakPolarHBondContact O-CD 3.47Å; N367-R371 WeakPolarHBondContact O-CG 3.35Å; N367-R371 PolarHBondContact O-NH1 3.44Å; N367-F635 HydrophobicContact CB-CB 4.4Å; N367-F635 HydrophobicContact CB-CD1 3.97Å; N367-F635 PolarHBondContact N-O 3.39Å; N367-F714 HydrophobicContact CB-CD1 4.05Å; N367-F714 HydrophobicContact CB-CE1 3.8Å; N367-T717 PolarHBondContact ND2-OG1 3.49Å; N367-Y727 HydrophobicContact CB-CE1 4.16Å; N367-Y727 HydrophobicContact CB-CE2 3.89Å; N367-Y727 PolarHBondContact N-OH 2.96Å; N367-Y727 VanDerWaalsContact N-OH 3.09Å | ||
| 368 | T | 97.5 | Very high | 89.1 | Confident | 85 Ų | 85 | 49.3 Ų | 49.3 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -75.7 | -39.5 | -177.6 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | I366 A370 R371 L372 | I366-T368 HydrophobicContact CD1-CG2 4.17Å; I366-T368 HydrophobicContact CG1-CG2 4.14Å; I366-T368 PolarHBondContact O-N 2.97Å; T368-A370 PolarHBondContact O-N 3.04Å; T368-R371 PolarHBondContact O-N 2.81Å; T368-L372 WeakPolarHBondContact O-CG 3.37Å; T368-L372 PolarHBondContact O-N 3.09Å |
| 369 | K | 97.6 | Very high | 91.7 | Very high | 92 Ų | 92 | 50 Ų | 50 | 40% | 0.4 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.7 | -50.5 | -174.8 | -173.2 | 178.3 | -66.1 | -176.7 | 0 | 112.3 | N367 R371 L372 A373 I418 F421 T717 | N367-K369 PolarHBondContact OD1-N 3.32Å; K369-R371 VanDerWaalsContact C-N 3.34Å; K369-R371 PolarHBondContact O-N 3.38Å; K369-L372 PolarHBondContact O-N 3.3Å; K369-A373 VanDerWaalsContact O-CB 3.3Å; K369-A373 WeakPolarHBondContact O-CB 3.44Å; K369-A373 PolarHBondContact O-N 3.03Å; K369-I418 HydrophobicContact CB-CD1 4.49Å; K369-I418 HydrophobicContact CG-CD1 4.04Å; K369-F421 HydrophobicContact CD-CB 4.37Å; K369-F421 HydrophobicContact CD-CD2 3.66Å; K369-F421 HydrophobicContact CD-CE2 3.99Å; K369-F421 HydrophobicContact CD-CG 3.93Å; K369-F421 HydrophobicContact CG-CD1 4.23Å; K369-F421 HydrophobicContact CG-CD2 4.23Å; K369-F421 HydrophobicContact CG-CE1 4.49Å; K369-F421 HydrophobicContact CG-CE2 4.47Å; K369-F421 HydrophobicContact CG-CG 4.08Å; K369-T717 HydrophobicContact CB-CG2 4.04Å; K369-T717 HydrophobicContact CD-CG2 4.1Å; K369-T717 HydrophobicContact CG-CG2 4.1Å |
| 370 | A | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N367 T368 A373 F374 M710 L713 F714 T717 | N367-A370 WeakPolarHBondContact OD1-CB 3.48Å; N367-A370 PolarHBondContact OD1-N 3.47Å; T368-A370 PolarHBondContact O-N 3.04Å; A370-A373 PolarHBondContact O-N 2.73Å; A370-F374 WeakPolarHBondContact O-CB 3.42Å; A370-F374 PolarHBondContact O-N 2.66Å; A370-M710 HydrophobicContact CB-CE 3.83Å; A370-L713 HydrophobicContact CB-CB 4.01Å; A370-F714 HydrophobicContact CB-CD1 3.37Å; A370-F714 HydrophobicContact CB-CE1 3.65Å; A370-F714 HydrophobicContact CB-CG 4.25Å; A370-T717 HydrophobicContact CB-CG2 3.86Å |
| 371 | R | 98.6 | Very high | 95.8 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -41.9 | -179.3 | -71.2 | 172.6 | 171.7 | 79.1 | -1.7 | 112.2 | N367 T368 K369 F374 A375 F635 G636 M710 | N367-R371 VanDerWaalsContact N-NH1 3.15Å; N367-R371 WeakPolarHBondContact O-CD 3.47Å; N367-R371 WeakPolarHBondContact O-CG 3.35Å; N367-R371 PolarHBondContact O-NH1 3.44Å; T368-R371 PolarHBondContact O-N 2.81Å; K369-R371 VanDerWaalsContact C-N 3.34Å; K369-R371 PolarHBondContact O-N 3.38Å; R371-F374 WeakPolarHBondContact O-CB 3.28Å; R371-F374 PolarHBondContact O-N 3.49Å; R371-A375 PolarHBondContact O-N 2.95Å; R371-F635 PolarHBondContact NH1-O 3.19Å; R371-F635 PolarHBondContact NH2-O 3.48Å; R371-G636 PolarHBondContact NH2-O 2.96Å; R371-M710 HydrophobicContact CB-CE 4.38Å; R371-M710 HydrophobicContact CG-CE 3.6Å |
| 372 | L | 98.6 | Very high | 96.9 | Very high | 97 Ų | 97 | 43.6 Ų | 43.6 | 51% | 0.508 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.2 | -39.2 | 175.3 | -68.7 | 171.7 | 0 | 0 | 0 | 111.3 | T368 K369 F374 A375 R376 I418 | T368-L372 WeakPolarHBondContact O-CG 3.37Å; T368-L372 PolarHBondContact O-N 3.09Å; K369-L372 PolarHBondContact O-N 3.3Å; L372-F374 VanDerWaalsContact C-N 3.34Å; L372-A375 PolarHBondContact O-N 2.82Å; L372-R376 WeakPolarHBondContact O-CB 3.31Å; L372-R376 PolarHBondContact O-N 2.82Å; L372-I418 HydrophobicContact CB-CD1 3.83Å; L372-I418 HydrophobicContact CB-CG1 3.87Å; L372-I418 HydrophobicContact CB-CG2 4.2Å; L372-I418 HydrophobicContact CD1-CD1 4.04Å; L372-I418 HydrophobicContact CD1-CG1 4.18Å |
| 373 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K369 A370 R376 I377 I418 F421 L422 L713 | K369-A373 VanDerWaalsContact O-CB 3.3Å; K369-A373 WeakPolarHBondContact O-CB 3.44Å; K369-A373 PolarHBondContact O-N 3.03Å; A370-A373 PolarHBondContact O-N 2.73Å; A373-R376 WeakPolarHBondContact O-CB 3.41Å; A373-R376 PolarHBondContact O-N 3.39Å; A373-I377 WeakPolarHBondContact O-CG1 3.48Å; A373-I377 PolarHBondContact O-N 3.38Å; A373-I418 HydrophobicContact CB-CG2 4.07Å; A373-F421 HydrophobicContact CB-CD1 3.74Å; A373-F421 HydrophobicContact CB-CE1 3.62Å; A373-L422 HydrophobicContact CB-CD2 3.93Å; A373-L422 HydrophobicContact CB-CG 4.39Å; A373-L713 HydrophobicContact CB-CD1 4.43Å; A373-L713 HydrophobicContact CB-CD2 4.18Å |
| 374 | F | 98.7 | Very high | 97.5 | Very high | 21 Ų | 21 | 46 Ų | 46 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -50.9 | 175.6 | -175.3 | -93.4 | 0 | 0 | 0 | 111.7 | A370 R371 L372 R376 I377 I378 V448 W640 P706 M710 L713 | A370-F374 WeakPolarHBondContact O-CB 3.42Å; A370-F374 PolarHBondContact O-N 2.66Å; R371-F374 WeakPolarHBondContact O-CB 3.28Å; R371-F374 PolarHBondContact O-N 3.49Å; L372-F374 VanDerWaalsContact C-N 3.34Å; F374-R376 VanDerWaalsContact C-N 3.26Å; F374-R376 PolarHBondContact O-N 3.11Å; F374-I377 PolarHBondContact O-N 3.27Å; F374-I378 HydrophobicContact CD1-CD1 3.71Å; F374-I378 HydrophobicContact CD1-CG1 4.48Å; F374-I378 HydrophobicContact CE1-CD1 3.28Å; F374-I378 HydrophobicContact CE1-CG1 4.26Å; F374-I378 HydrophobicContact CZ-CD1 3.95Å; F374-I378 PolarHBondContact O-N 2.84Å; F374-V448 HydrophobicContact CD2-CB 4.45Å; F374-V448 HydrophobicContact CD2-CG1 3.68Å; F374-V448 HydrophobicContact CE2-CB 4.02Å; F374-V448 HydrophobicContact CE2-CG1 3.61Å; F374-V448 HydrophobicContact CZ-CB 4.35Å; F374-V448 HydrophobicContact CZ-CG1 4.39Å; F374-W640 HydrophobicContact CD1-CH2 4.38Å; F374-W640 HydrophobicContact CE1-CH2 4.09Å; F374-W640 HydrophobicContact CZ-CH2 4.45Å; F374-W640 HydrophobicContact CZ-CZ3 4.45Å; F374-P706 HydrophobicContact CE2-CB 4.26Å; F374-P706 WeakPolarHBondContact CE2-O 3.41Å; F374-P706 HydrophobicContact CZ-CB 3.93Å; F374-M710 HydrophobicContact CB-SD 3.85Å; F374-M710 HydrophobicContact CD2-CB 4.39Å; F374-M710 HydrophobicContact CD2-SD 3.82Å; F374-M710 HydrophobicContact CE2-CB 4.4Å; F374-M710 HydrophobicContact CG-SD 3.85Å; F374-L713 HydrophobicContact CB-CD1 3.58Å; F374-L713 HydrophobicContact CD2-CD1 3.91Å; F374-L713 HydrophobicContact CG-CD1 4.25Å |
| 375 | A | 98.5 | Very high | 97.7 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 45% | 0.446 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.2 | -38 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R371 L372 I378 E379 | R371-A375 PolarHBondContact O-N 2.95Å; L372-A375 PolarHBondContact O-N 2.82Å; A375-I378 PolarHBondContact O-N 2.98Å; A375-E379 PolarHBondContact O-N 3.31Å |
| 376 | R | 98.4 | Very high | 97.8 | Very high | 49 Ų | 49 | 43.8 Ų | 43.8 | 19% | 0.185 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.1 | -39.7 | 179.3 | -170.3 | 60.4 | 168.3 | 145 | 11 | 112.8 | L372 A373 F374 E379 F380 F410 L411 I418 D419 L422 | L372-R376 WeakPolarHBondContact O-CB 3.31Å; L372-R376 PolarHBondContact O-N 2.82Å; A373-R376 WeakPolarHBondContact O-CB 3.41Å; A373-R376 PolarHBondContact O-N 3.39Å; F374-R376 VanDerWaalsContact C-N 3.26Å; F374-R376 PolarHBondContact O-N 3.11Å; R376-E379 IonicContact CZ-OE2 3.51Å; R376-E379 IonicContact NH1-OE1 2.7Å; R376-E379 IonicContact NH1-OE2 3.77Å; R376-E379 PolarHBondContact NH1-OE2 3.35Å; R376-E379 PolarHBondContact O-N 2.91Å; R376-F380 PolarHBondContact O-N 2.93Å; R376-F380 VanDerWaalsContact O-N 3.11Å; R376-F410 VanDerWaalsContact NH1-CE1 3.28Å; R376-F410 PolarHBondContact NH2-O 2.99Å; R376-L411 HydrophobicContact CG-CD2 4.18Å; R376-I418 HydrophobicContact CB-CG2 4.36Å; R376-D419 IonicContact CZ-OD1 3.22Å; R376-D419 IonicContact CZ-OD2 3.29Å; R376-D419 IonicContact NE-OD1 2.94Å; R376-D419 PolarHBondContact NE-OD1 3.4Å; R376-D419 IonicContact NE-OD2 2.98Å; R376-D419 IonicContact NH2-OD1 3.55Å; R376-D419 IonicContact NH2-OD2 2.75Å; R376-D419 PolarHBondContact NH2-OD2 3.28Å; R376-D419 VanDerWaalsContact NH2-OD2 3.07Å; R376-L422 HydrophobicContact CB-CD1 4.09Å; R376-L422 HydrophobicContact CG-CD1 3.85Å |
| 377 | I | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.2 | -37.1 | 175.1 | -58.2 | 159.8 | 0 | 0 | 0 | 110.2 | A373 F374 E379 F380 G381 L422 V445 V448 L713 | A373-I377 WeakPolarHBondContact O-CG1 3.48Å; A373-I377 PolarHBondContact O-N 3.38Å; F374-I377 PolarHBondContact O-N 3.27Å; I377-E379 VanDerWaalsContact C-N 3.35Å; I377-E379 PolarHBondContact O-N 2.86Å; I377-F380 PolarHBondContact O-N 3.3Å; I377-G381 PolarHBondContact O-N 2.87Å; I377-L422 HydrophobicContact CD1-CD2 3.57Å; I377-L422 HydrophobicContact CG1-CD1 4.08Å; I377-L422 HydrophobicContact CG1-CD2 3.72Å; I377-V445 HydrophobicContact CG2-CB 4.48Å; I377-V445 HydrophobicContact CG2-CG2 3.85Å; I377-V448 HydrophobicContact CB-CG1 4.27Å; I377-V448 HydrophobicContact CB-CG2 3.97Å; I377-V448 HydrophobicContact CG2-CB 4.46Å; I377-V448 HydrophobicContact CG2-CG1 4.15Å; I377-V448 HydrophobicContact CG2-CG2 3.45Å; I377-V448 VanDerWaalsContact CG2-CG2 3.45Å; I377-L713 HydrophobicContact CD1-CD1 4.19Å; I377-L713 HydrophobicContact CD1-CD2 4.05Å |
| 378 | I | 98.3 | Very high | 97.6 | Very high | 64 Ų | 64 | 48.4 Ų | 48.4 | 33% | 0.328 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.5 | -47.9 | 173.4 | -72.8 | 176.1 | 0 | 0 | 0 | 110.7 | F374 A375 F380 G381 A382 V448 | F374-I378 HydrophobicContact CD1-CD1 3.71Å; F374-I378 HydrophobicContact CD1-CG1 4.48Å; F374-I378 HydrophobicContact CE1-CD1 3.28Å; F374-I378 HydrophobicContact CE1-CG1 4.26Å; F374-I378 HydrophobicContact CZ-CD1 3.95Å; F374-I378 PolarHBondContact O-N 2.84Å; A375-I378 PolarHBondContact O-N 2.98Å; I378-F380 VanDerWaalsContact C-N 3.3Å; I378-F380 PolarHBondContact O-N 2.88Å; I378-G381 PolarHBondContact O-N 3.08Å; I378-A382 WeakPolarHBondContact O-CB 3.4Å; I378-A382 PolarHBondContact O-N 3.42Å; I378-V448 HydrophobicContact CG1-CB 3.85Å; I378-V448 HydrophobicContact CG1-CG2 3.86Å |
| 379 | E | 98.1 | Very high | 97.5 | Very high | 78 Ų | 78 | 47.9 Ų | 47.9 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 179.2 | -166.8 | -162.3 | 157.5 | 0 | 0 | 111.6 | A375 R376 I377 K383 F410 | A375-E379 PolarHBondContact O-N 3.31Å; R376-E379 IonicContact CZ-OE2 3.51Å; R376-E379 IonicContact NH1-OE1 2.7Å; R376-E379 IonicContact NH1-OE2 3.77Å; R376-E379 PolarHBondContact NH1-OE2 3.35Å; R376-E379 PolarHBondContact O-N 2.91Å; I377-E379 VanDerWaalsContact C-N 3.35Å; I377-E379 PolarHBondContact O-N 2.86Å; E379-K383 WeakPolarHBondContact O-CG 3.46Å; E379-K383 PolarHBondContact O-N 3.25Å; E379-K383 IonicContact OE1-NZ 2.68Å; E379-K383 PolarHBondContact OE1-NZ 2.92Å; E379-F410 HydrophobicContact CB-CZ 4.33Å; E379-F410 HydrophobicContact CG-CZ 4.13Å |
| 380 | F | 98.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 174.1 | 174.7 | -107.2 | 0 | 0 | 0 | 111.6 | R376 I377 I378 A382 K383 E384 I403 R406 L407 F410 V445 | R376-F380 PolarHBondContact O-N 2.93Å; R376-F380 VanDerWaalsContact O-N 3.11Å; I377-F380 PolarHBondContact O-N 3.3Å; I378-F380 VanDerWaalsContact C-N 3.3Å; I378-F380 PolarHBondContact O-N 2.88Å; F380-A382 VanDerWaalsContact C-N 3.35Å; F380-A382 PolarHBondContact O-N 3.38Å; F380-K383 PolarHBondContact O-N 3.36Å; F380-E384 HydrophobicContact CE1-CB 4.21Å; F380-E384 HydrophobicContact CE1-CG 4.32Å; F380-E384 HydrophobicContact CE2-CB 4.43Å; F380-E384 HydrophobicContact CZ-CB 4.15Å; F380-E384 HydrophobicContact CZ-CG 4.21Å; F380-E384 VanDerWaalsContact O-CB 3.26Å; F380-E384 WeakPolarHBondContact O-CB 3.43Å; F380-E384 PolarHBondContact O-N 3.26Å; F380-I403 HydrophobicContact CE1-CG1 4.26Å; F380-I403 HydrophobicContact CZ-CG1 4.37Å; F380-R406 HydrophobicContact CE2-CB 4.3Å; F380-R406 HydrophobicContact CZ-CB 4.21Å; F380-L407 HydrophobicContact CB-CD1 4.24Å; F380-L407 HydrophobicContact CD1-CD1 3.67Å; F380-L407 HydrophobicContact CD2-CD1 4.05Å; F380-L407 HydrophobicContact CE1-CB 3.98Å; F380-L407 HydrophobicContact CE1-CD1 3.98Å; F380-L407 HydrophobicContact CE2-CB 4.17Å; F380-L407 HydrophobicContact CE2-CD1 4.34Å; F380-L407 HydrophobicContact CG-CD1 3.7Å; F380-L407 HydrophobicContact CZ-CB 3.77Å; F380-L407 HydrophobicContact CZ-CD1 4.31Å; F380-F410 HydrophobicContact CB-CD1 3.82Å; F380-F410 HydrophobicContact CB-CE1 3.63Å; F380-F410 HydrophobicContact CB-CG 4.47Å; F380-F410 HydrophobicContact CB-CZ 4.15Å; F380-F410 HydrophobicContact CD2-CB 3.74Å; F380-F410 AromaticContact CD2-CD1 3.72Å; F380-F410 HydrophobicContact CD2-CD1 3.72Å; F380-F410 HydrophobicContact CD2-CD2 4.19Å; F380-F410 HydrophobicContact CD2-CE1 4.32Å; F380-F410 AromaticContact CD2-CG 3.62Å; F380-F410 HydrophobicContact CD2-CG 3.62Å; F380-F410 HydrophobicContact CE2-CB 4.05Å; F380-F410 HydrophobicContact CE2-CG 4.4Å; F380-F410 HydrophobicContact CG-CD1 4.13Å; F380-F410 HydrophobicContact CG-CE1 4.43Å; F380-F410 HydrophobicContact CG-CG 4.47Å; F380-V445 HydrophobicContact CD1-CG1 4.35Å; F380-V445 HydrophobicContact CD1-CG2 3.66Å; F380-V445 HydrophobicContact CE1-CG1 4.48Å; F380-V445 HydrophobicContact CE1-CG2 3.76Å |
| 381 | G | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -38.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I377 I378 E384 S385 | I377-G381 PolarHBondContact O-N 2.87Å; I378-G381 PolarHBondContact O-N 3.08Å; G381-E384 PolarHBondContact O-N 3.1Å; G381-S385 WeakPolarHBondContact O-CB 3.47Å; G381-S385 PolarHBondContact O-N 2.82Å; G381-S385 PolarHBondContact O-OG 3.46Å |
| 382 | A | 96.3 | Very high | 97 | Very high | 49 Ų | 49 | 56 Ų | 56 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I378 F380 S385 S386 | I378-A382 WeakPolarHBondContact O-CB 3.4Å; I378-A382 PolarHBondContact O-N 3.42Å; F380-A382 VanDerWaalsContact C-N 3.35Å; F380-A382 PolarHBondContact O-N 3.38Å; A382-S385 PolarHBondContact O-N 3.45Å; A382-S386 PolarHBondContact O-N 3.14Å; A382-S386 PolarHBondContact O-OG 3.46Å |
| 383 | K | 96.7 | Very high | 96.7 | Very high | 113 Ų | 113 | 60 Ų | 60 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 176.8 | -71.6 | 171.8 | 176.7 | 175.4 | 0 | 112.5 | E379 F380 S385 S386 F410 | E379-K383 WeakPolarHBondContact O-CG 3.46Å; E379-K383 PolarHBondContact O-N 3.25Å; E379-K383 IonicContact OE1-NZ 2.68Å; E379-K383 PolarHBondContact OE1-NZ 2.92Å; F380-K383 PolarHBondContact O-N 3.36Å; K383-S385 VanDerWaalsContact C-N 3.32Å; K383-S386 WeakPolarHBondContact O-CB 3.25Å; K383-S386 PolarHBondContact O-N 2.77Å; K383-F410 HydrophobicContact CD-CE2 3.73Å; K383-F410 HydrophobicContact CD-CZ 4.41Å |
| 384 | E | 97.2 | Very high | 96.6 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 178.7 | 177.5 | 58.8 | -165.4 | 0 | 0 | 111.3 | F380 G381 S386 R387 T398 R406 | F380-E384 HydrophobicContact CE1-CB 4.21Å; F380-E384 HydrophobicContact CE1-CG 4.32Å; F380-E384 HydrophobicContact CE2-CB 4.43Å; F380-E384 HydrophobicContact CZ-CB 4.15Å; F380-E384 HydrophobicContact CZ-CG 4.21Å; F380-E384 VanDerWaalsContact O-CB 3.26Å; F380-E384 WeakPolarHBondContact O-CB 3.43Å; F380-E384 PolarHBondContact O-N 3.26Å; G381-E384 PolarHBondContact O-N 3.1Å; E384-S386 PolarHBondContact O-N 3.32Å; E384-R387 VanDerWaalsContact O-CB 3.31Å; E384-R387 WeakPolarHBondContact O-CB 3.43Å; E384-R387 WeakPolarHBondContact O-CG 3.4Å; E384-R387 PolarHBondContact O-N 3.38Å; E384-R387 VanDerWaalsContact O-N 3.11Å; E384-R387 WeakPolarHBondContact OE2-CD 3.48Å; E384-T398 HydrophobicContact CB-CG2 4.31Å; E384-T398 HydrophobicContact CG-CG2 3.83Å; E384-R406 VanDerWaalsContact CD-NE 3.28Å; E384-R406 IonicContact OE1-CZ 2.83Å; E384-R406 IonicContact OE1-NE 3.01Å; E384-R406 PolarHBondContact OE1-NE 3.41Å; E384-R406 IonicContact OE1-NH2 3.28Å; E384-R406 PolarHBondContact OE1-NH2 3.41Å; E384-R406 WeakPolarHBondContact OE2-CD 3.38Å; E384-R406 IonicContact OE2-NE 2.98Å; E384-R406 PolarHBondContact OE2-NE 3.16Å |
| 385 | S | 97.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.049 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.4 | -28.6 | 175.8 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | G381 A382 K383 R387 T388 G396 | G381-S385 WeakPolarHBondContact O-CB 3.47Å; G381-S385 PolarHBondContact O-N 2.82Å; G381-S385 PolarHBondContact O-OG 3.46Å; A382-S385 PolarHBondContact O-N 3.45Å; K383-S385 VanDerWaalsContact C-N 3.32Å; S385-R387 PolarHBondContact O-N 3.25Å; S385-R387 VanDerWaalsContact O-N 3.13Å; S385-T388 PolarHBondContact O-N 3.28Å; S385-T388 PolarHBondContact O-OG1 3.49Å; S385-G396 WeakPolarHBondContact O-CA 3.5Å; S385-G396 PolarHBondContact O-N 3.27Å |
| 386 | S | 96.2 | Very high | 96.3 | Very high | 49 Ų | 49 | 64 Ų | 64 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10 | 174.9 | -56.5 | 0 | 0 | 0 | 0 | 113.8 | A382 K383 E384 T388 I389 S390 | A382-S386 PolarHBondContact O-N 3.14Å; A382-S386 PolarHBondContact O-OG 3.46Å; K383-S386 WeakPolarHBondContact O-CB 3.25Å; K383-S386 PolarHBondContact O-N 2.77Å; E384-S386 PolarHBondContact O-N 3.32Å; S386-T388 VanDerWaalsContact C-N 3.33Å; S386-I389 CarbonylContact C-O 3.56Å; S386-I389 WeakPolarHBondContact CA-O 3.36Å; S386-S390 WeakPolarHBondContact O-CB 3.27Å |
| 387 | R | 94.7 | Very high | 96.1 | Very high | 146 Ų | 146 | 68.6 Ų | 68.6 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -26.1 | 178.8 | -64.6 | -169.8 | 75.2 | -89.3 | -5 | 113.7 | E384 S385 | E384-R387 VanDerWaalsContact O-CB 3.31Å; E384-R387 WeakPolarHBondContact O-CB 3.43Å; E384-R387 WeakPolarHBondContact O-CG 3.4Å; E384-R387 PolarHBondContact O-N 3.38Å; E384-R387 VanDerWaalsContact O-N 3.11Å; E384-R387 WeakPolarHBondContact OE2-CD 3.48Å; S385-R387 PolarHBondContact O-N 3.25Å; S385-R387 VanDerWaalsContact O-N 3.13Å |
| 388 | T | 95.3 | Very high | 96 | Very high | 48 Ų | 48 | 68.5 Ų | 68.5 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -39 | -178.1 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | S385 S386 G396 Y397 T399 | S385-T388 PolarHBondContact O-N 3.28Å; S385-T388 PolarHBondContact O-OG1 3.49Å; S386-T388 VanDerWaalsContact C-N 3.33Å; T388-G396 WeakPolarHBondContact OG1-CA 3.31Å; T388-Y397 HydrophobicContact CG2-CD2 4.44Å; T388-Y397 HydrophobicContact CG2-CE1 4.24Å; T388-Y397 HydrophobicContact CG2-CE2 4.18Å; T388-Y397 VanDerWaalsContact CG2-O 3.27Å; T388-Y397 WeakPolarHBondContact CG2-O 3.47Å; T388-Y397 PolarHBondContact OG1-N 3.4Å; T388-Y397 PolarHBondContact OG1-O 3.37Å; T388-T399 HydrophobicContact CG2-CG2 3.98Å |
| 389 | I | 95.6 | Very high | 95.9 | Very high | 75 Ų | 75 | 67.5 Ų | 67.5 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | -141.7 | 137.2 | 171.6 | -52.5 | 174.3 | 0 | 0 | 0 | 107.7 | S386 L394 A395 G396 | S386-I389 CarbonylContact C-O 3.56Å; S386-I389 WeakPolarHBondContact CA-O 3.36Å; I389-L394 HydrophobicContact CB-CD2 4.19Å; I389-L394 HydrophobicContact CG2-CD2 3.36Å; I389-A395 WeakPolarHBondContact O-CA 3.32Å; I389-G396 PolarHBondContact O-N 2.9Å | ||
| 390 | S | 95.5 | Very high | 95.8 | Very high | 84 Ų | 84 | 67.6 Ų | 67.6 | 59% | 0.587 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 91.9 | 177.8 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | S386 | S386-S390 WeakPolarHBondContact O-CB 3.27Å |
| 391 | E | 95.1 | Very high | 95.7 | Very high | 146 Ų | 146 | 75.5 Ų | 75.5 | 68% | 0.682 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 91.3 | 179.2 | -67.3 | -170.3 | -171.9 | 0 | 0 | 110.6 | D393 L394 | E391-D393 PolarHBondContact O-N 2.8Å; E391-L394 HydrophobicContact CB-CB 4.36Å; E391-L394 PolarHBondContact N-O 2.86Å; E391-L394 VanDerWaalsContact O-CB 3.27Å; E391-L394 WeakPolarHBondContact O-CB 3.26Å; E391-L394 PolarHBondContact O-N 2.93Å |
| 392 | G | 92.6 | Very high | 95.6 | Very high | 79 Ų | 79 | 76.5 Ų | 76.5 | 81% | 0.814 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | -124.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L394 | G392-L394 VanDerWaalsContact C-N 3.27Š|
| 393 | D | 93.7 | Very high | 95.7 | Very high | 179 Ų | 179 | 74.2 Ų | 74.2 | 96% | 0.957 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -0.4 | 175.9 | -59.8 | -31.8 | 0 | 0 | 0 | 113.1 | E391 | E391-D393 PolarHBondContact O-N 2.8Š|
| 394 | L | 94.7 | Very high | 95.7 | Very high | 95 Ų | 95 | 71.3 Ų | 71.3 | 50% | 0.497 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 111.9 | 176.5 | -168.2 | 160.4 | 0 | 0 | 0 | 109.9 | I389 E391 G392 | I389-L394 HydrophobicContact CB-CD2 4.19Å; I389-L394 HydrophobicContact CG2-CD2 3.36Å; E391-L394 HydrophobicContact CB-CB 4.36Å; E391-L394 PolarHBondContact N-O 2.86Å; E391-L394 VanDerWaalsContact O-CB 3.27Å; E391-L394 WeakPolarHBondContact O-CB 3.26Å; E391-L394 PolarHBondContact O-N 2.93Å; G392-L394 VanDerWaalsContact C-N 3.27Å |
| 395 | A | 96.2 | Very high | 95.7 | Very high | 41 Ų | 41 | 74.7 Ų | 74.7 | 34% | 0.339 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 159.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I389 | I389-A395 WeakPolarHBondContact O-CA 3.32Å |
| 396 | G | 96 | Very high | 95.8 | Very high | 24 Ų | 24 | 77 Ų | 77 | 25% | 0.247 | 42% | 0.417 | C | S | . | . | trans | -89.4 | -129.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S385 T388 I389 | S385-G396 WeakPolarHBondContact O-CA 3.5Å; S385-G396 PolarHBondContact O-N 3.27Å; T388-G396 WeakPolarHBondContact OG1-CA 3.31Å; I389-G396 PolarHBondContact O-N 2.9Å | ||
| 397 | Y | 94.6 | Very high | 95.9 | Very high | 145 Ų | 145 | 75.2 Ų | 75.2 | 57% | 0.569 | 40% | 0.404 | S | S | * | . | trans | -127 | 167.5 | -178.7 | 62.1 | -85.2 | 0 | 0 | 0 | 111.3 | T388 T399 | T388-Y397 HydrophobicContact CG2-CD2 4.44Å; T388-Y397 HydrophobicContact CG2-CE1 4.24Å; T388-Y397 HydrophobicContact CG2-CE2 4.18Å; T388-Y397 VanDerWaalsContact CG2-O 3.27Å; T388-Y397 WeakPolarHBondContact CG2-O 3.47Å; T388-Y397 PolarHBondContact OG1-N 3.4Å; T388-Y397 PolarHBondContact OG1-O 3.37Å; Y397-T399 HydrophobicContact CD2-CG2 4.46Å; Y397-T399 HydrophobicContact CE2-CG2 3.93Å | ||
| 398 | T | 95.5 | Very high | 96 | Very high | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.012 | 39% | 0.394 | C | S | . | . | trans | -90.2 | 145.9 | 177.7 | 74.5 | 0 | 0 | 0 | 0 | 112.1 | E384 K442 V445 D446 | E384-T398 HydrophobicContact CB-CG2 4.31Å; E384-T398 HydrophobicContact CG-CG2 3.83Å; T398-K442 VanDerWaalsContact O-CE 3.23Å; T398-K442 WeakPolarHBondContact O-CE 3.46Å; T398-K442 PolarHBondContact O-NZ 3.2Å; T398-K442 WeakPolarHBondContact OG1-CE 3.49Å; T398-K442 PolarHBondContact OG1-NZ 3.32Å; T398-V445 HydrophobicContact CG2-CG1 3.76Å; T398-D446 PolarHBondContact OG1-OD1 2.99Å | ||
| 399 | T | 95.8 | Very high | 96.1 | Very high | 44 Ų | 44 | 75.2 Ų | 75.2 | 27% | 0.27 | 42% | 0.415 | S | S | . | . | trans | -111.4 | 139.6 | 179.5 | 53 | 0 | 0 | 0 | 0 | 110.8 | T388 Y397 R406 | T388-T399 HydrophobicContact CG2-CG2 3.98Å; Y397-T399 HydrophobicContact CD2-CG2 4.46Å; Y397-T399 HydrophobicContact CE2-CG2 3.93Å; T399-R406 PolarHBondContact O-NH2 3.5Å; T399-R406 PolarHBondContact OG1-NH2 2.87Å | ||
| 400 | L | 97.3 | Very high | 96.2 | Very high | 79 Ų | 79 | 73.7 Ų | 73.7 | 41% | 0.414 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -62.1 | -44.9 | -177.3 | -179.2 | 65.1 | 0 | 0 | 0 | 113.2 | G402 I403 D438 K442 | L400-G402 PolarHBondContact O-N 3.42Å; L400-I403 VanDerWaalsContact O-CG2 3.27Å; L400-I403 WeakPolarHBondContact O-CG2 3.48Å; L400-I403 PolarHBondContact O-N 3.09Å; L400-D438 HydrophobicContact CD1-CB 3.99Å; L400-D438 WeakPolarHBondContact CD1-O 3.09Å; L400-K442 HydrophobicContact CB-CD 4.37Å; L400-K442 HydrophobicContact CD1-CB 3.74Å; L400-K442 HydrophobicContact CD1-CD 4.48Å; L400-K442 HydrophobicContact CD1-CG 4.06Å |
| 401 | E | 95.5 | Very high | 96.3 | Very high | 173 Ų | 173 | 70.1 Ų | 70.1 | 81% | 0.808 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 123.5 | -173.7 | -171.6 | 177.4 | -177.2 | 0 | 0 | 111.7 | I403 R406 | E401-I403 PolarHBondContact O-N 2.74Å; E401-R406 PolarHBondContact O-NH1 3.22Å; E401-R406 PolarHBondContact O-NH2 2.95Å |
| 402 | G | 95.7 | Very high | 96.4 | Very high | 21 Ų | 21 | 66 Ų | 66 | 22% | 0.216 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 11.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L400 R404 E405 R406 | L400-G402 PolarHBondContact O-N 3.42Å; G402-R404 VanDerWaalsContact C-N 3.3Å; G402-R404 PolarHBondContact O-N 3.39Å; G402-E405 WeakPolarHBondContact CA-OE2 3.47Å; G402-E405 PolarHBondContact O-N 2.92Å; G402-R406 WeakPolarHBondContact O-CG 3.26Å; G402-R406 PolarHBondContact O-N 3.35Å; G402-R406 PolarHBondContact O-NH1 3.35Å |
| 403 | I | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.7 | -36.3 | -173.5 | -164.1 | 174.1 | 0 | 0 | 0 | 111.5 | F380 L400 E401 R406 L407 D438 V441 K442 V445 | F380-I403 HydrophobicContact CE1-CG1 4.26Å; F380-I403 HydrophobicContact CZ-CG1 4.37Å; L400-I403 VanDerWaalsContact O-CG2 3.27Å; L400-I403 WeakPolarHBondContact O-CG2 3.48Å; L400-I403 PolarHBondContact O-N 3.09Å; E401-I403 PolarHBondContact O-N 2.74Å; I403-R406 PolarHBondContact O-N 3.29Å; I403-L407 PolarHBondContact O-N 3.19Å; I403-D438 HydrophobicContact CG2-CB 4.43Å; I403-V441 HydrophobicContact CB-CG1 4.44Å; I403-V441 HydrophobicContact CD1-CG1 4.28Å; I403-V441 HydrophobicContact CG1-CG1 3.98Å; I403-V441 HydrophobicContact CG2-CB 4.16Å; I403-V441 HydrophobicContact CG2-CG1 3.9Å; I403-K442 HydrophobicContact CD1-CD 3.88Å; I403-V445 HydrophobicContact CD1-CB 4.47Å |
| 404 | R | 97.4 | Very high | 96.4 | Very high | 53 Ų | 53 | 65.8 Ų | 65.8 | 20% | 0.2 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 176 | 179.1 | -165.8 | 69.4 | 81.6 | 2 | 111.8 | G402 R406 L407 E408 K437 D438 V441 | G402-R404 VanDerWaalsContact C-N 3.3Å; G402-R404 PolarHBondContact O-N 3.39Å; R404-R406 PolarHBondContact O-N 3.03Å; R404-L407 WeakPolarHBondContact O-CB 3.01Å; R404-L407 PolarHBondContact O-N 3.37Å; R404-L407 VanDerWaalsContact O-N 3.16Å; R404-E408 IonicContact CZ-OE1 3.75Å; R404-E408 IonicContact CZ-OE2 3.77Å; R404-E408 IonicContact NH1-OE1 2.67Å; R404-E408 PolarHBondContact NH1-OE1 2.95Å; R404-E408 IonicContact NH1-OE2 2.8Å; R404-E408 PolarHBondContact NH1-OE2 2.7Å; R404-E408 WeakPolarHBondContact O-CB 3.44Å; R404-E408 WeakPolarHBondContact O-CG 3.34Å; R404-E408 PolarHBondContact O-N 2.65Å; R404-K437 VanDerWaalsContact CD-CB 3.42Å; R404-K437 HydrophobicContact CG-CB 4.32Å; R404-D438 WeakPolarHBondContact CB-OD1 3.38Å; R404-D438 PolarHBondContact N-OD1 3.14Å; R404-V441 HydrophobicContact CB-CG2 4.36Å; R404-V441 HydrophobicContact CG-CG2 4.48Å |
| 405 | E | 97.7 | Very high | 96.4 | Very high | 79 Ų | 79 | 67.1 Ų | 67.1 | 37% | 0.369 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 179.5 | -67.1 | 79.8 | -179.8 | 0 | 0 | 111.2 | G402 T409 | G402-E405 WeakPolarHBondContact CA-OE2 3.47Å; G402-E405 PolarHBondContact O-N 2.92Å; E405-T409 WeakPolarHBondContact O-CB 3.26Å; E405-T409 PolarHBondContact O-N 2.85Å; E405-T409 PolarHBondContact O-OG1 3.37Å |
| 406 | R | 98.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 66.7 Ų | 66.7 | 21% | 0.208 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.5 | -41.4 | 175.2 | -70.4 | -169.7 | -62.7 | -78.3 | 4.5 | 111.8 | F380 E384 T399 E401 G402 I403 R404 T409 F410 | F380-R406 HydrophobicContact CE2-CB 4.3Å; F380-R406 HydrophobicContact CZ-CB 4.21Å; E384-R406 VanDerWaalsContact CD-NE 3.28Å; E384-R406 IonicContact OE1-CZ 2.83Å; E384-R406 IonicContact OE1-NE 3.01Å; E384-R406 PolarHBondContact OE1-NE 3.41Å; E384-R406 IonicContact OE1-NH2 3.28Å; E384-R406 PolarHBondContact OE1-NH2 3.41Å; E384-R406 WeakPolarHBondContact OE2-CD 3.38Å; E384-R406 IonicContact OE2-NE 2.98Å; E384-R406 PolarHBondContact OE2-NE 3.16Å; T399-R406 PolarHBondContact O-NH2 3.5Å; T399-R406 PolarHBondContact OG1-NH2 2.87Å; E401-R406 PolarHBondContact O-NH1 3.22Å; E401-R406 PolarHBondContact O-NH2 2.95Å; G402-R406 WeakPolarHBondContact O-CG 3.26Å; G402-R406 PolarHBondContact O-N 3.35Å; G402-R406 PolarHBondContact O-NH1 3.35Å; I403-R406 PolarHBondContact O-N 3.29Å; R404-R406 PolarHBondContact O-N 3.03Å; R406-T409 PolarHBondContact O-N 3.05Å; R406-F410 WeakPolarHBondContact O-CB 3.43Å; R406-F410 PolarHBondContact O-N 3.1Å |
| 407 | L | 98.3 | Very high | 96.4 | Very high | 12 Ų | 12 | 73.4 Ų | 73.4 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.5 | -50.5 | 172.2 | 178.9 | 67.5 | 0 | 0 | 0 | 110.4 | F380 I403 R404 T409 F410 L411 V441 | F380-L407 HydrophobicContact CB-CD1 4.24Å; F380-L407 HydrophobicContact CD1-CD1 3.67Å; F380-L407 HydrophobicContact CD2-CD1 4.05Å; F380-L407 HydrophobicContact CE1-CB 3.98Å; F380-L407 HydrophobicContact CE1-CD1 3.98Å; F380-L407 HydrophobicContact CE2-CB 4.17Å; F380-L407 HydrophobicContact CE2-CD1 4.34Å; F380-L407 HydrophobicContact CG-CD1 3.7Å; F380-L407 HydrophobicContact CZ-CB 3.77Å; F380-L407 HydrophobicContact CZ-CD1 4.31Å; I403-L407 PolarHBondContact O-N 3.19Å; R404-L407 WeakPolarHBondContact O-CB 3.01Å; R404-L407 PolarHBondContact O-N 3.37Å; R404-L407 VanDerWaalsContact O-N 3.16Å; L407-T409 PolarHBondContact O-N 2.95Å; L407-F410 WeakPolarHBondContact O-CA 3.4Å; L407-F410 WeakPolarHBondContact O-CB 3.2Å; L407-F410 PolarHBondContact O-N 2.87Å; L407-L411 HydrophobicContact CD1-CD1 3.94Å; L407-L411 HydrophobicContact CD1-CD2 4.3Å; L407-L411 HydrophobicContact CD1-CG 3.99Å; L407-L411 HydrophobicContact CD2-CD1 4.33Å; L407-L411 HydrophobicContact CG-CD1 3.78Å; L407-L411 HydrophobicContact CG-CG 4.19Å; L407-L411 WeakPolarHBondContact O-CB 3.42Å; L407-L411 VanDerWaalsContact O-CG 3.26Å; L407-L411 WeakPolarHBondContact O-CG 3.34Å; L407-L411 PolarHBondContact O-N 2.75Å; L407-V441 HydrophobicContact CB-CG1 4.19Å; L407-V441 HydrophobicContact CD2-CB 4.44Å; L407-V441 HydrophobicContact CD2-CG1 3.77Å; L407-V441 HydrophobicContact CD2-CG2 3.78Å |
| 408 | E | 97.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.2 | -34.4 | 178.2 | -73.8 | 173.9 | -177.6 | 0 | 0 | 112.5 | R404 | R404-E408 IonicContact CZ-OE1 3.75Å; R404-E408 IonicContact CZ-OE2 3.77Å; R404-E408 IonicContact NH1-OE1 2.67Å; R404-E408 PolarHBondContact NH1-OE1 2.95Å; R404-E408 IonicContact NH1-OE2 2.8Å; R404-E408 PolarHBondContact NH1-OE2 2.7Å; R404-E408 WeakPolarHBondContact O-CB 3.44Å; R404-E408 WeakPolarHBondContact O-CG 3.34Å; R404-E408 PolarHBondContact O-N 2.65Å |
| 409 | T | 97.5 | Very high | 96.7 | Very high | 121 Ų | 121 | 68 Ų | 68 | 74% | 0.742 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -72.1 | -34.6 | 174.5 | -58 | 0 | 0 | 0 | 0 | 112.3 | E405 R406 L407 | E405-T409 WeakPolarHBondContact O-CB 3.26Å; E405-T409 PolarHBondContact O-N 2.85Å; E405-T409 PolarHBondContact O-OG1 3.37Å; R406-T409 PolarHBondContact O-N 3.05Å; L407-T409 PolarHBondContact O-N 2.95Å |
| 410 | F | 97.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -73 | -33.6 | 178.3 | 174.1 | -99.2 | 0 | 0 | 0 | 112.7 | R376 E379 F380 K383 R406 L407 | R376-F410 VanDerWaalsContact NH1-CE1 3.28Å; R376-F410 PolarHBondContact NH2-O 2.99Å; E379-F410 HydrophobicContact CB-CZ 4.33Å; E379-F410 HydrophobicContact CG-CZ 4.13Å; F380-F410 HydrophobicContact CB-CD1 3.82Å; F380-F410 HydrophobicContact CB-CE1 3.63Å; F380-F410 HydrophobicContact CB-CG 4.47Å; F380-F410 HydrophobicContact CB-CZ 4.15Å; F380-F410 HydrophobicContact CD2-CB 3.74Å; F380-F410 AromaticContact CD2-CD1 3.72Å; F380-F410 HydrophobicContact CD2-CD1 3.72Å; F380-F410 HydrophobicContact CD2-CD2 4.19Å; F380-F410 HydrophobicContact CD2-CE1 4.32Å; F380-F410 AromaticContact CD2-CG 3.62Å; F380-F410 HydrophobicContact CD2-CG 3.62Å; F380-F410 HydrophobicContact CE2-CB 4.05Å; F380-F410 HydrophobicContact CE2-CG 4.4Å; F380-F410 HydrophobicContact CG-CD1 4.13Å; F380-F410 HydrophobicContact CG-CE1 4.43Å; F380-F410 HydrophobicContact CG-CG 4.47Å; K383-F410 HydrophobicContact CD-CE2 3.73Å; K383-F410 HydrophobicContact CD-CZ 4.41Å; R406-F410 WeakPolarHBondContact O-CB 3.43Å; R406-F410 PolarHBondContact O-N 3.1Å; L407-F410 WeakPolarHBondContact O-CA 3.4Å; L407-F410 WeakPolarHBondContact O-CB 3.2Å; L407-F410 PolarHBondContact O-N 2.87Å |
| 411 | L | 98.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.047 | 34% | 0.338 | C | S | . | . | trans | -78.9 | 145.1 | -178.9 | -66.6 | -180 | 0 | 0 | 0 | 112 | R376 L407 P413 D419 L422 I423 | R376-L411 HydrophobicContact CG-CD2 4.18Å; L407-L411 HydrophobicContact CD1-CD1 3.94Å; L407-L411 HydrophobicContact CD1-CD2 4.3Å; L407-L411 HydrophobicContact CD1-CG 3.99Å; L407-L411 HydrophobicContact CD2-CD1 4.33Å; L407-L411 HydrophobicContact CG-CD1 3.78Å; L407-L411 HydrophobicContact CG-CG 4.19Å; L407-L411 WeakPolarHBondContact O-CB 3.42Å; L407-L411 VanDerWaalsContact O-CG 3.26Å; L407-L411 WeakPolarHBondContact O-CG 3.34Å; L407-L411 PolarHBondContact O-N 2.75Å; L411-P413 WeakPolarHBondContact O-CD 3.2Å; L411-D419 WeakPolarHBondContact CA-OD2 3.46Å; L411-D419 HydrophobicContact CB-CB 4Å; L411-D419 HydrophobicContact CD2-CB 3.89Å; L411-D419 VanDerWaalsContact CD2-CG 3.49Å; L411-D419 HydrophobicContact CG-CB 4.41Å; L411-L422 HydrophobicContact CD1-CB 3.9Å; L411-L422 HydrophobicContact CD1-CD1 4.4Å; L411-L422 HydrophobicContact CD2-CD1 3.86Å; L411-I423 HydrophobicContact CB-CD1 4.42Å; L411-I423 HydrophobicContact CD1-CD1 4.41Å; L411-I423 HydrophobicContact CD1-CG1 3.93Å | ||
| 412 | S | 96.6 | Very high | 97 | Very high | 59 Ų | 59 | 58 Ų | 58 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | trans | -124.3 | 70.2 | 179.2 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | K414 T415 S416 D419 | S412-K414 PolarHBondContact O-N 2.74Å; S412-K414 VanDerWaalsContact O-N 3.1Å; S412-T415 WeakPolarHBondContact CB-OG1 3.41Å; S412-T415 PolarHBondContact O-N 2.88Å; S412-T415 PolarHBondContact O-OG1 3.25Å; S412-T415 VanDerWaalsContact O-OG1 3.11Å; S412-S416 PolarHBondContact O-N 3.1Å; S412-D419 PolarHBondContact N-OD2 2.9Å | ||
| 413 | P | 93.5 | Very high | 97.2 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 28% | 0.279 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.6 | -172.9 | 18.5 | -32.1 | 0 | 0 | 0 | 115 | L411 T415 Q420 I423 | L411-P413 WeakPolarHBondContact O-CD 3.2Å; P413-T415 PolarHBondContact O-N 3.24Å; P413-Q420 HydrophobicContact CB-CB 4.01Å; P413-I423 HydrophobicContact CB-CD1 3.81Å; P413-I423 HydrophobicContact CG-CD1 3.55Å |
| 414 | K | 92.9 | Very high | 97.2 | Very high | 210 Ų | 210 | 61.4 Ų | 61.4 | 91% | 0.913 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.4 | 178.7 | -67 | -177.1 | 179.5 | 177.5 | 0 | 113.4 | S412 | S412-K414 PolarHBondContact O-N 2.74Å; S412-K414 VanDerWaalsContact O-N 3.1Å |
| 415 | T | 94.1 | Very high | 97.2 | Very high | 124 Ų | 124 | 58.9 Ų | 58.9 | 76% | 0.761 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | -10.6 | -174.5 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | S412 P413 | S412-T415 WeakPolarHBondContact CB-OG1 3.41Å; S412-T415 PolarHBondContact O-N 2.88Å; S412-T415 PolarHBondContact O-OG1 3.25Å; S412-T415 VanDerWaalsContact O-OG1 3.11Å; P413-T415 PolarHBondContact O-N 3.24Å |
| 416 | S | 96.6 | Very high | 97.3 | Very high | 32 Ų | 32 | 55.4 Ų | 55.4 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | trans | -135.3 | 114.6 | -178.8 | 169.4 | 0 | 0 | 0 | 0 | 109.7 | S412 I418 D419 Q420 | S412-S416 PolarHBondContact O-N 3.1Å; S416-I418 PolarHBondContact O-N 3.05Å; S416-I418 PolarHBondContact OG-N 2.53Å; S416-D419 PolarHBondContact O-N 3Å; S416-D419 PolarHBondContact OG-N 3.44Å; S416-D419 VanDerWaalsContact OG-N 3.1Å; S416-D419 PolarHBondContact OG-OD1 3.02Å; S416-D419 VanDerWaalsContact OG-OD1 3.08Å; S416-Q420 PolarHBondContact O-N 3.15Å; S416-Q420 VanDerWaalsContact O-N 3.07Å | ||
| 417 | E | 96.5 | Very high | 97.3 | Very high | 165 Ų | 165 | 54.8 Ų | 54.8 | 77% | 0.771 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.8 | -28.9 | 174 | -64.1 | -177.4 | 176.1 | 0 | 0 | 112.1 | Q420 F421 | E417-Q420 PolarHBondContact O-N 3.43Å; E417-F421 WeakPolarHBondContact O-CB 2.99Å; E417-F421 PolarHBondContact O-N 2.91Å |
| 418 | I | 98 | Very high | 97.3 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 176.1 | -56.6 | -55.9 | 0 | 0 | 0 | 110.5 | K369 L372 A373 R376 S416 Q420 F421 L422 | K369-I418 HydrophobicContact CB-CD1 4.49Å; K369-I418 HydrophobicContact CG-CD1 4.04Å; L372-I418 HydrophobicContact CB-CD1 3.83Å; L372-I418 HydrophobicContact CB-CG1 3.87Å; L372-I418 HydrophobicContact CB-CG2 4.2Å; L372-I418 HydrophobicContact CD1-CD1 4.04Å; L372-I418 HydrophobicContact CD1-CG1 4.18Å; A373-I418 HydrophobicContact CB-CG2 4.07Å; R376-I418 HydrophobicContact CB-CG2 4.36Å; S416-I418 PolarHBondContact O-N 3.05Å; S416-I418 PolarHBondContact OG-N 2.53Å; I418-Q420 VanDerWaalsContact C-N 3.33Å; I418-F421 WeakPolarHBondContact O-CB 3.07Å; I418-F421 PolarHBondContact O-N 2.65Å; I418-L422 WeakPolarHBondContact O-CG 3.44Å; I418-L422 PolarHBondContact O-N 3.23Å |
| 419 | D | 98.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.1 | -36.7 | 177.5 | -71.4 | 20.7 | 0 | 0 | 0 | 110.6 | R376 L411 S412 S416 L422 I423 | R376-D419 IonicContact CZ-OD1 3.22Å; R376-D419 IonicContact CZ-OD2 3.29Å; R376-D419 IonicContact NE-OD1 2.94Å; R376-D419 PolarHBondContact NE-OD1 3.4Å; R376-D419 IonicContact NE-OD2 2.98Å; R376-D419 IonicContact NH2-OD1 3.55Å; R376-D419 IonicContact NH2-OD2 2.75Å; R376-D419 PolarHBondContact NH2-OD2 3.28Å; R376-D419 VanDerWaalsContact NH2-OD2 3.07Å; L411-D419 WeakPolarHBondContact CA-OD2 3.46Å; L411-D419 HydrophobicContact CB-CB 4Å; L411-D419 HydrophobicContact CD2-CB 3.89Å; L411-D419 VanDerWaalsContact CD2-CG 3.49Å; L411-D419 HydrophobicContact CG-CB 4.41Å; S412-D419 PolarHBondContact N-OD2 2.9Å; S416-D419 PolarHBondContact O-N 3Å; S416-D419 PolarHBondContact OG-N 3.44Å; S416-D419 VanDerWaalsContact OG-N 3.1Å; S416-D419 PolarHBondContact OG-OD1 3.02Å; S416-D419 VanDerWaalsContact OG-OD1 3.08Å; D419-L422 PolarHBondContact O-N 3.17Å; D419-I423 WeakPolarHBondContact O-CG1 3.47Å; D419-I423 PolarHBondContact O-N 2.56Å |
| 420 | Q | 98.1 | Very high | 97.4 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 34% | 0.341 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 171 | -176.9 | 60.5 | 57.2 | 0 | 0 | 111.7 | P413 S416 E417 I418 L422 I423 D424 | P413-Q420 HydrophobicContact CB-CB 4.01Å; S416-Q420 PolarHBondContact O-N 3.15Å; S416-Q420 VanDerWaalsContact O-N 3.07Å; E417-Q420 PolarHBondContact O-N 3.43Å; I418-Q420 VanDerWaalsContact C-N 3.33Å; Q420-L422 VanDerWaalsContact C-N 3.29Å; Q420-L422 PolarHBondContact O-N 3.03Å; Q420-I423 WeakPolarHBondContact O-CB 3.41Å; Q420-I423 PolarHBondContact O-N 3.21Å; Q420-I423 VanDerWaalsContact O-N 3.12Å; Q420-D424 PolarHBondContact NE2-OD1 3.46Å; Q420-D424 PolarHBondContact NE2-OD2 3.22Å; Q420-D424 VanDerWaalsContact O-CG 3.27Å; Q420-D424 PolarHBondContact O-N 3.42Å |
| 421 | F | 98.1 | Very high | 97.4 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 4% | 0.044 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.2 | -40.8 | 175.8 | 166.7 | -101.1 | 0 | 0 | 0 | 112.5 | K369 A373 E417 I418 D424 A425 L713 L716 T717 L720 | K369-F421 HydrophobicContact CD-CB 4.37Å; K369-F421 HydrophobicContact CD-CD2 3.66Å; K369-F421 HydrophobicContact CD-CE2 3.99Å; K369-F421 HydrophobicContact CD-CG 3.93Å; K369-F421 HydrophobicContact CG-CD1 4.23Å; K369-F421 HydrophobicContact CG-CD2 4.23Å; K369-F421 HydrophobicContact CG-CE1 4.49Å; K369-F421 HydrophobicContact CG-CE2 4.47Å; K369-F421 HydrophobicContact CG-CG 4.08Å; A373-F421 HydrophobicContact CB-CD1 3.74Å; A373-F421 HydrophobicContact CB-CE1 3.62Å; E417-F421 WeakPolarHBondContact O-CB 2.99Å; E417-F421 PolarHBondContact O-N 2.91Å; I418-F421 WeakPolarHBondContact O-CB 3.07Å; I418-F421 PolarHBondContact O-N 2.65Å; F421-D424 PolarHBondContact O-N 2.79Å; F421-A425 WeakPolarHBondContact O-CB 3.39Å; F421-A425 PolarHBondContact O-N 3.22Å; F421-L713 HydrophobicContact CE1-CD2 4.25Å; F421-L716 HydrophobicContact CE2-CB 4.32Å; F421-L716 HydrophobicContact CZ-CB 3.94Å; F421-T717 HydrophobicContact CE2-CG2 3.92Å; F421-T717 HydrophobicContact CZ-CG2 3.69Å; F421-L720 HydrophobicContact CD2-CD1 3.69Å; F421-L720 HydrophobicContact CE2-CD1 3.54Å; F421-L720 HydrophobicContact CZ-CD1 4.42Å |
| 422 | L | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.3 | -71.8 | 175 | 0 | 0 | 0 | 112.3 | A373 R376 I377 L411 I418 D419 Q420 A425 V426 L713 | A373-L422 HydrophobicContact CB-CD2 3.93Å; A373-L422 HydrophobicContact CB-CG 4.39Å; R376-L422 HydrophobicContact CB-CD1 4.09Å; R376-L422 HydrophobicContact CG-CD1 3.85Å; I377-L422 HydrophobicContact CD1-CD2 3.57Å; I377-L422 HydrophobicContact CG1-CD1 4.08Å; I377-L422 HydrophobicContact CG1-CD2 3.72Å; L411-L422 HydrophobicContact CD1-CB 3.9Å; L411-L422 HydrophobicContact CD1-CD1 4.4Å; L411-L422 HydrophobicContact CD2-CD1 3.86Å; I418-L422 WeakPolarHBondContact O-CG 3.44Å; I418-L422 PolarHBondContact O-N 3.23Å; D419-L422 PolarHBondContact O-N 3.17Å; Q420-L422 VanDerWaalsContact C-N 3.29Å; Q420-L422 PolarHBondContact O-N 3.03Å; L422-A425 PolarHBondContact O-N 2.64Å; L422-V426 WeakPolarHBondContact O-CG2 3.2Å; L422-V426 PolarHBondContact O-N 3.47Å; L422-V426 VanDerWaalsContact O-N 3.12Å; L422-L713 HydrophobicContact CD2-CD2 4.49Å |
| 423 | I | 98.3 | Very high | 97.4 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 174.3 | -71.7 | 164.4 | 0 | 0 | 0 | 110.5 | L411 P413 D419 Q420 A425 V426 N427 | L411-I423 HydrophobicContact CB-CD1 4.42Å; L411-I423 HydrophobicContact CD1-CD1 4.41Å; L411-I423 HydrophobicContact CD1-CG1 3.93Å; P413-I423 HydrophobicContact CB-CD1 3.81Å; P413-I423 HydrophobicContact CG-CD1 3.55Å; D419-I423 WeakPolarHBondContact O-CG1 3.47Å; D419-I423 PolarHBondContact O-N 2.56Å; Q420-I423 WeakPolarHBondContact O-CB 3.41Å; Q420-I423 PolarHBondContact O-N 3.21Å; Q420-I423 VanDerWaalsContact O-N 3.12Å; I423-A425 VanDerWaalsContact C-N 3.32Å; I423-A425 PolarHBondContact O-N 2.88Å; I423-V426 PolarHBondContact O-N 3.11Å; I423-N427 VanDerWaalsContact O-CG 3.3Å; I423-N427 PolarHBondContact O-N 3.46Å; I423-N427 PolarHBondContact O-ND2 2.77Å |
| 424 | D | 98.2 | Very high | 97.6 | Very high | 61 Ų | 61 | 59.9 Ų | 59.9 | 33% | 0.326 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 178.6 | -64.3 | -22.1 | 0 | 0 | 0 | 111.5 | Q420 F421 N427 Y428 L720 | Q420-D424 PolarHBondContact NE2-OD1 3.46Å; Q420-D424 PolarHBondContact NE2-OD2 3.22Å; Q420-D424 VanDerWaalsContact O-CG 3.27Å; Q420-D424 PolarHBondContact O-N 3.42Å; F421-D424 PolarHBondContact O-N 2.79Å; D424-N427 PolarHBondContact O-N 2.88Å; D424-Y428 WeakPolarHBondContact O-CB 3.21Å; D424-Y428 PolarHBondContact O-N 3.14Å; D424-L720 HydrophobicContact CB-CD1 4.11Å; D424-L720 HydrophobicContact CB-CD2 4.14Å |
| 425 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | F421 L422 I423 N427 Y428 A429 L716 L720 | F421-A425 WeakPolarHBondContact O-CB 3.39Å; F421-A425 PolarHBondContact O-N 3.22Å; L422-A425 PolarHBondContact O-N 2.64Å; I423-A425 VanDerWaalsContact C-N 3.32Å; I423-A425 PolarHBondContact O-N 2.88Å; A425-N427 VanDerWaalsContact C-N 3.32Å; A425-N427 PolarHBondContact O-N 3.15Å; A425-Y428 PolarHBondContact O-N 2.83Å; A425-A429 WeakPolarHBondContact O-CB 3.4Å; A425-A429 PolarHBondContact O-N 3.41Å; A425-L716 HydrophobicContact CB-CD1 3.8Å; A425-L716 HydrophobicContact CB-CD2 4.26Å; A425-L716 HydrophobicContact CB-CG 4.49Å; A425-L720 HydrophobicContact CB-CD1 4.01Å |
| 426 | V | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 176.5 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | L422 I423 H430 K437 F440 V441 | L422-V426 WeakPolarHBondContact O-CG2 3.2Å; L422-V426 PolarHBondContact O-N 3.47Å; L422-V426 VanDerWaalsContact O-N 3.12Å; I423-V426 PolarHBondContact O-N 3.11Å; V426-H430 PolarHBondContact O-N 2.91Å; V426-K437 HydrophobicContact CG1-CB 3.91Å; V426-K437 HydrophobicContact CG1-CD 4.1Å; V426-K437 HydrophobicContact CG1-CG 3.92Å; V426-F440 HydrophobicContact CG2-CD1 4.23Å; V426-V441 HydrophobicContact CG1-CG2 4.1Å; V426-V441 HydrophobicContact CG2-CG2 3.65Å |
| 427 | N | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 48.2 Ų | 48.2 | 23% | 0.23 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 176.4 | -69.6 | -32.3 | 0 | 0 | 0 | 112 | I423 D424 A425 A429 H430 D431 K437 | I423-N427 VanDerWaalsContact O-CG 3.3Å; I423-N427 PolarHBondContact O-N 3.46Å; I423-N427 PolarHBondContact O-ND2 2.77Å; D424-N427 PolarHBondContact O-N 2.88Å; A425-N427 VanDerWaalsContact C-N 3.32Å; A425-N427 PolarHBondContact O-N 3.15Å; N427-A429 PolarHBondContact O-N 3.25Å; N427-H430 CarbonylContact O-C 3.59Å; N427-H430 WeakPolarHBondContact O-CB 3.17Å; N427-H430 PolarHBondContact O-N 3.02Å; N427-H430 VanDerWaalsContact O-N 3.12Å; N427-D431 WeakPolarHBondContact O-CB 3.27Å; N427-D431 VanDerWaalsContact O-CG 3.29Å; N427-D431 PolarHBondContact O-N 3.46Å; N427-K437 PolarHBondContact OD1-NZ 3.37Å |
| 428 | Y | 98.4 | Very high | 98.2 | Very high | 40 Ų | 40 | 42.2 Ų | 42.2 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 177 | 175.9 | -85.1 | 0 | 0 | 0 | 112.3 | D424 A425 H430 T432 L433 L716 L719 L720 | D424-Y428 WeakPolarHBondContact O-CB 3.21Å; D424-Y428 PolarHBondContact O-N 3.14Å; A425-Y428 PolarHBondContact O-N 2.83Å; Y428-H430 PolarHBondContact O-N 3.2Å; Y428-T432 WeakPolarHBondContact CD2-OG1 3.29Å; Y428-T432 HydrophobicContact CE1-CG2 4.49Å; Y428-T432 HydrophobicContact CE2-CG2 3.85Å; Y428-T432 WeakPolarHBondContact CE2-OG1 3.38Å; Y428-T432 WeakPolarHBondContact O-CA 3.19Å; Y428-T432 VanDerWaalsContact O-CB 3.27Å; Y428-T432 WeakPolarHBondContact O-CB 3.47Å; Y428-T432 PolarHBondContact O-N 3.14Å; Y428-L433 HydrophobicContact CD1-CD1 4.36Å; Y428-L433 HydrophobicContact CD1-CG 4.33Å; Y428-L433 HydrophobicContact CE1-CD1 3.88Å; Y428-L433 HydrophobicContact CE1-CD2 4.22Å; Y428-L433 HydrophobicContact CE1-CG 3.79Å; Y428-L433 PolarHBondContact O-N 2.95Å; Y428-L716 HydrophobicContact CD1-CD2 4.09Å; Y428-L719 HydrophobicContact CE1-CB 4.14Å; Y428-L719 HydrophobicContact CE1-CD1 3.94Å; Y428-L719 HydrophobicContact CE2-CB 4.29Å; Y428-L720 HydrophobicContact CD2-CD2 4.02Å; Y428-L720 HydrophobicContact CG-CD2 3.92Å |
| 429 | A | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.8 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A425 N427 L433 K434 I435 F440 | A425-A429 WeakPolarHBondContact O-CB 3.4Å; A425-A429 PolarHBondContact O-N 3.41Å; N427-A429 PolarHBondContact O-N 3.25Å; A429-L433 CarbonylContact O-C 3.4Å; A429-L433 WeakPolarHBondContact O-CA 3.43Å; A429-L433 WeakPolarHBondContact O-CB 3.5Å; A429-L433 PolarHBondContact O-N 3.47Å; A429-K434 PolarHBondContact O-N 3.01Å; A429-K434 VanDerWaalsContact O-N 3.13Å; A429-I435 HydrophobicContact CB-CB 4.26Å; A429-I435 HydrophobicContact CB-CD1 3.96Å; A429-I435 VanDerWaalsContact O-CB 3.31Å; A429-I435 WeakPolarHBondContact O-CB 3.23Å; A429-I435 PolarHBondContact O-N 3Å; A429-F440 HydrophobicContact CB-CD1 3.49Å; A429-F440 VanDerWaalsContact CB-CD1 3.49Å; A429-F440 HydrophobicContact CB-CD2 4.2Å; A429-F440 HydrophobicContact CB-CE1 3.53Å; A429-F440 HydrophobicContact CB-CE2 4.26Å; A429-F440 HydrophobicContact CB-CG 3.84Å; A429-F440 HydrophobicContact CB-CZ 3.94Å |
| 430 | H | 98.3 | Very high | 98.2 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 35% | 0.347 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -76.1 | -56.5 | 177.2 | -174.2 | 67.5 | 0 | 0 | 0 | 114 | V426 N427 Y428 K434 I435 K437 | V426-H430 PolarHBondContact O-N 2.91Å; N427-H430 CarbonylContact O-C 3.59Å; N427-H430 WeakPolarHBondContact O-CB 3.17Å; N427-H430 PolarHBondContact O-N 3.02Å; N427-H430 VanDerWaalsContact O-N 3.12Å; Y428-H430 PolarHBondContact O-N 3.2Å; H430-K434 VanDerWaalsContact O-CA 3.23Å; H430-K434 WeakPolarHBondContact O-CA 3.34Å; H430-K434 PolarHBondContact O-N 3.32Å; H430-K434 VanDerWaalsContact O-N 3.09Å; H430-I435 VanDerWaalsContact CA-O 3.28Å; H430-I435 WeakPolarHBondContact CA-O 3.48Å; H430-I435 PolarHBondContact ND1-O 3.45Å; H430-K437 HydrophobicContact CB-CD 4.26Å; H430-K437 HydrophobicContact CB-CG 3.65Å; H430-K437 VanDerWaalsContact CD2-CE 3.43Å; H430-K437 WeakPolarHBondContact CD2-CE 3.16Å; H430-K437 VanDerWaalsContact CG-CE 3.47Å |
| 431 | D | 98.2 | Very high | 98.3 | Very high | 93 Ų | 93 | 40.7 Ų | 40.7 | 50% | 0.497 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -72.8 | -41.6 | -168.8 | -64.7 | -29.4 | 0 | 0 | 0 | 111.4 | N427 K434 | N427-D431 WeakPolarHBondContact O-CB 3.27Å; N427-D431 VanDerWaalsContact O-CG 3.29Å; N427-D431 PolarHBondContact O-N 3.46Å; D431-K434 WeakPolarHBondContact O-CE 3.41Å; D431-K434 PolarHBondContact O-NZ 3.32Å |
| 432 | T | 97.3 | Very high | 98.3 | Very high | 79 Ų | 79 | 42.1 Ų | 42.1 | 49% | 0.485 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -54.8 | -178.4 | -51.5 | 0 | 0 | 0 | 0 | 110.7 | Y428 | Y428-T432 WeakPolarHBondContact CD2-OG1 3.29Å; Y428-T432 HydrophobicContact CE1-CG2 4.49Å; Y428-T432 HydrophobicContact CE2-CG2 3.85Å; Y428-T432 WeakPolarHBondContact CE2-OG1 3.38Å; Y428-T432 WeakPolarHBondContact O-CA 3.19Å; Y428-T432 VanDerWaalsContact O-CB 3.27Å; Y428-T432 WeakPolarHBondContact O-CB 3.47Å; Y428-T432 PolarHBondContact O-N 3.14Å |
| 433 | L | 97.7 | Very high | 98.3 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -9.2 | -171.5 | -56.4 | -178.6 | 0 | 0 | 0 | 113.6 | Y428 A429 I435 R465 V466 A469 | Y428-L433 HydrophobicContact CD1-CD1 4.36Å; Y428-L433 HydrophobicContact CD1-CG 4.33Å; Y428-L433 HydrophobicContact CE1-CD1 3.88Å; Y428-L433 HydrophobicContact CE1-CD2 4.22Å; Y428-L433 HydrophobicContact CE1-CG 3.79Å; Y428-L433 PolarHBondContact O-N 2.95Å; A429-L433 CarbonylContact O-C 3.4Å; A429-L433 WeakPolarHBondContact O-CA 3.43Å; A429-L433 WeakPolarHBondContact O-CB 3.5Å; A429-L433 PolarHBondContact O-N 3.47Å; L433-I435 HydrophobicContact CB-CD1 3.7Å; L433-I435 HydrophobicContact CB-CG1 3.99Å; L433-I435 HydrophobicContact CD1-CD1 3.9Å; L433-I435 HydrophobicContact CG-CD1 4.47Å; L433-R465 PolarHBondContact O-NH2 3.41Å; L433-V466 HydrophobicContact CD1-CB 4.29Å; L433-V466 HydrophobicContact CD1-CG2 3.66Å; L433-A469 HydrophobicContact CD2-CB 3.79Å |
| 434 | K | 98 | Very high | 98.3 | Very high | 150 Ų | 150 | 41.9 Ų | 41.9 | 65% | 0.652 | 21% | 0.208 | S | C | * | . | trans | 60.5 | 44.6 | -177.4 | -45.9 | -53.7 | -179.5 | -168.3 | 0 | 112.5 | A429 H430 D431 R465 | A429-K434 PolarHBondContact O-N 3.01Å; A429-K434 VanDerWaalsContact O-N 3.13Å; H430-K434 VanDerWaalsContact O-CA 3.23Å; H430-K434 WeakPolarHBondContact O-CA 3.34Å; H430-K434 PolarHBondContact O-N 3.32Å; H430-K434 VanDerWaalsContact O-N 3.09Å; D431-K434 WeakPolarHBondContact O-CE 3.41Å; D431-K434 PolarHBondContact O-NZ 3.32Å; K434-R465 PolarHBondContact O-NH2 3.26Å | ||
| 435 | I | 98.2 | Very high | 98.3 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | trans | -97.1 | 141.5 | 172.8 | -59 | 162 | 0 | 0 | 0 | 108.7 | A429 H430 L433 F440 H462 R465 V466 | A429-I435 HydrophobicContact CB-CB 4.26Å; A429-I435 HydrophobicContact CB-CD1 3.96Å; A429-I435 VanDerWaalsContact O-CB 3.31Å; A429-I435 WeakPolarHBondContact O-CB 3.23Å; A429-I435 PolarHBondContact O-N 3Å; H430-I435 VanDerWaalsContact CA-O 3.28Å; H430-I435 WeakPolarHBondContact CA-O 3.48Å; H430-I435 PolarHBondContact ND1-O 3.45Å; L433-I435 HydrophobicContact CB-CD1 3.7Å; L433-I435 HydrophobicContact CB-CG1 3.99Å; L433-I435 HydrophobicContact CD1-CD1 3.9Å; L433-I435 HydrophobicContact CG-CD1 4.47Å; I435-F440 HydrophobicContact CG2-CB 3.77Å; I435-F440 HydrophobicContact CG2-CD2 4.28Å; I435-F440 HydrophobicContact CG2-CG 4.31Å; I435-H462 HydrophobicContact CD1-CB 4.17Å; I435-H462 HydrophobicContact CG2-CB 4.12Å; I435-H462 WeakPolarHBondContact CG2-ND1 3.42Å; I435-R465 HydrophobicContact CD1-CB 4.32Å; I435-R465 VanDerWaalsContact CG1-CZ 3.48Å; I435-R465 VanDerWaalsContact CG1-NH1 3.31Å; I435-V466 HydrophobicContact CD1-CG2 4.42Å | ||
| 436 | D | 98.3 | Very high | 98.2 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 40% | 0.401 | 20% | 0.199 | S | C | . | . | trans | -67 | 134.6 | 171.7 | 179 | -93.8 | 0 | 0 | 0 | 110.4 | D438 E439 F440 | D436-D438 PolarHBondContact O-N 2.99Å; D436-D438 WeakPolarHBondContact OD1-CA 3.43Å; D436-D438 WeakPolarHBondContact OD1-CB 3.42Å; D436-D438 PolarHBondContact OD1-N 3.13Å; D436-E439 HydrophobicContact CB-CB 4.07Å; D436-E439 HydrophobicContact CB-CG 3.95Å; D436-E439 PolarHBondContact O-N 3.45Å; D436-E439 PolarHBondContact OD1-N 3.06Å; D436-F440 WeakPolarHBondContact O-CB 2.92Å; D436-F440 PolarHBondContact O-N 3.36Å | ||
| 437 | K | 98.3 | Very high | 98.2 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | -173.5 | -67.5 | -171.9 | -177.3 | -165.6 | 0 | 112.1 | R404 V426 N427 H430 F440 V441 | R404-K437 VanDerWaalsContact CD-CB 3.42Å; R404-K437 HydrophobicContact CG-CB 4.32Å; V426-K437 HydrophobicContact CG1-CB 3.91Å; V426-K437 HydrophobicContact CG1-CD 4.1Å; V426-K437 HydrophobicContact CG1-CG 3.92Å; N427-K437 PolarHBondContact OD1-NZ 3.37Å; H430-K437 HydrophobicContact CB-CD 4.26Å; H430-K437 HydrophobicContact CB-CG 3.65Å; H430-K437 VanDerWaalsContact CD2-CE 3.43Å; H430-K437 WeakPolarHBondContact CD2-CE 3.16Å; H430-K437 VanDerWaalsContact CG-CE 3.47Å; K437-F440 PolarHBondContact O-N 3.16Å; K437-V441 VanDerWaalsContact O-CG2 3.3Å; K437-V441 WeakPolarHBondContact O-CG2 3.42Å; K437-V441 PolarHBondContact O-N 3.33Å |
| 438 | D | 98.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 38.5 Ų | 38.5 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69 | -43.3 | 179.7 | -71.1 | -54 | 0 | 0 | 0 | 110.6 | L400 I403 R404 D436 F440 V441 K442 | L400-D438 HydrophobicContact CD1-CB 3.99Å; L400-D438 WeakPolarHBondContact CD1-O 3.09Å; I403-D438 HydrophobicContact CG2-CB 4.43Å; R404-D438 WeakPolarHBondContact CB-OD1 3.38Å; R404-D438 PolarHBondContact N-OD1 3.14Å; D436-D438 PolarHBondContact O-N 2.99Å; D436-D438 WeakPolarHBondContact OD1-CA 3.43Å; D436-D438 WeakPolarHBondContact OD1-CB 3.42Å; D436-D438 PolarHBondContact OD1-N 3.13Å; D438-F440 VanDerWaalsContact C-N 3.33Å; D438-F440 PolarHBondContact O-N 2.65Å; D438-V441 PolarHBondContact O-N 2.94Å; D438-K442 VanDerWaalsContact O-CB 3.28Å; D438-K442 WeakPolarHBondContact O-CB 3.17Å; D438-K442 PolarHBondContact O-N 2.97Å |
| 439 | E | 98.3 | Very high | 98.2 | Very high | 74 Ų | 74 | 39.2 Ų | 39.2 | 35% | 0.346 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 175 | -67 | -169.3 | 176.9 | 0 | 0 | 112.1 | D436 K442 E443 K461 H462 | D436-E439 HydrophobicContact CB-CB 4.07Å; D436-E439 HydrophobicContact CB-CG 3.95Å; D436-E439 PolarHBondContact O-N 3.45Å; D436-E439 PolarHBondContact OD1-N 3.06Å; E439-K442 PolarHBondContact O-N 3.44Å; E439-E443 WeakPolarHBondContact O-CB 3.41Å; E439-E443 PolarHBondContact O-N 3.42Å; E439-K461 IonicContact OE2-NZ 2.71Å; E439-H462 WeakPolarHBondContact CB-NE2 3.35Å; E439-H462 IonicContact OE2-CE1 3.78Å; E439-H462 PolarHBondContact OE2-CE1 3.25Å; E439-H462 VanDerWaalsContact OE2-CE1 3.22Å; E439-H462 IonicContact OE2-NE2 3.98Å; E439-H462 PolarHBondContact OE2-NE2 2.91Å |
| 440 | F | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.4 | -46.5 | 179.3 | -170.5 | -123.1 | 0 | 0 | 0 | 111.9 | V426 A429 I435 D436 K437 D438 K442 E443 L444 H462 V466 V712 L716 | V426-F440 HydrophobicContact CG2-CD1 4.23Å; A429-F440 HydrophobicContact CB-CD1 3.49Å; A429-F440 VanDerWaalsContact CB-CD1 3.49Å; A429-F440 HydrophobicContact CB-CD2 4.2Å; A429-F440 HydrophobicContact CB-CE1 3.53Å; A429-F440 HydrophobicContact CB-CE2 4.26Å; A429-F440 HydrophobicContact CB-CG 3.84Å; A429-F440 HydrophobicContact CB-CZ 3.94Å; I435-F440 HydrophobicContact CG2-CB 3.77Å; I435-F440 HydrophobicContact CG2-CD2 4.28Å; I435-F440 HydrophobicContact CG2-CG 4.31Å; D436-F440 WeakPolarHBondContact O-CB 2.92Å; D436-F440 PolarHBondContact O-N 3.36Å; K437-F440 PolarHBondContact O-N 3.16Å; D438-F440 VanDerWaalsContact C-N 3.33Å; D438-F440 PolarHBondContact O-N 2.65Å; F440-K442 VanDerWaalsContact C-N 3.3Å; F440-K442 PolarHBondContact O-N 2.83Å; F440-E443 PolarHBondContact O-N 2.84Å; F440-L444 HydrophobicContact CD1-CD1 3.94Å; F440-L444 HydrophobicContact CD1-CG 4.42Å; F440-L444 HydrophobicContact CE1-CD1 3.6Å; F440-L444 HydrophobicContact CE1-CG 4.17Å; F440-L444 HydrophobicContact CE2-CD2 4.28Å; F440-L444 HydrophobicContact CE2-CG 4.29Å; F440-L444 HydrophobicContact CZ-CD1 3.96Å; F440-L444 HydrophobicContact CZ-CD2 4.04Å; F440-L444 HydrophobicContact CZ-CG 4.1Å; F440-L444 WeakPolarHBondContact O-CG 3.48Å; F440-L444 PolarHBondContact O-N 2.93Å; F440-H462 HydrophobicContact CD2-CB 3.86Å; F440-H462 HydrophobicContact CE2-CB 4.35Å; F440-V466 HydrophobicContact CE2-CG2 3.99Å; F440-V466 HydrophobicContact CZ-CG2 4.16Å; F440-V712 HydrophobicContact CZ-CG1 4.33Å; F440-L716 HydrophobicContact CZ-CD1 4.3Å |
| 441 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | I403 R404 L407 V426 K437 D438 E443 L444 V445 | I403-V441 HydrophobicContact CB-CG1 4.44Å; I403-V441 HydrophobicContact CD1-CG1 4.28Å; I403-V441 HydrophobicContact CG1-CG1 3.98Å; I403-V441 HydrophobicContact CG2-CB 4.16Å; I403-V441 HydrophobicContact CG2-CG1 3.9Å; R404-V441 HydrophobicContact CB-CG2 4.36Å; R404-V441 HydrophobicContact CG-CG2 4.48Å; L407-V441 HydrophobicContact CB-CG1 4.19Å; L407-V441 HydrophobicContact CD2-CB 4.44Å; L407-V441 HydrophobicContact CD2-CG1 3.77Å; L407-V441 HydrophobicContact CD2-CG2 3.78Å; V426-V441 HydrophobicContact CG1-CG2 4.1Å; V426-V441 HydrophobicContact CG2-CG2 3.65Å; K437-V441 VanDerWaalsContact O-CG2 3.3Å; K437-V441 WeakPolarHBondContact O-CG2 3.42Å; K437-V441 PolarHBondContact O-N 3.33Å; D438-V441 PolarHBondContact O-N 2.94Å; V441-E443 PolarHBondContact O-N 3.09Å; V441-L444 PolarHBondContact O-N 3.47Å; V441-V445 HydrophobicContact CG1-CG2 4.17Å; V441-V445 WeakPolarHBondContact O-CB 3.3Å; V441-V445 WeakPolarHBondContact O-CG2 3.22Å; V441-V445 PolarHBondContact O-N 3.36Å |
| 442 | K | 98.2 | Very high | 97.5 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 175.7 | -173.3 | 73.4 | 165.7 | 86.3 | 0 | 112 | T398 L400 I403 D438 E439 F440 V445 D446 | T398-K442 VanDerWaalsContact O-CE 3.23Å; T398-K442 WeakPolarHBondContact O-CE 3.46Å; T398-K442 PolarHBondContact O-NZ 3.2Å; T398-K442 WeakPolarHBondContact OG1-CE 3.49Å; T398-K442 PolarHBondContact OG1-NZ 3.32Å; L400-K442 HydrophobicContact CB-CD 4.37Å; L400-K442 HydrophobicContact CD1-CB 3.74Å; L400-K442 HydrophobicContact CD1-CD 4.48Å; L400-K442 HydrophobicContact CD1-CG 4.06Å; I403-K442 HydrophobicContact CD1-CD 3.88Å; D438-K442 VanDerWaalsContact O-CB 3.28Å; D438-K442 WeakPolarHBondContact O-CB 3.17Å; D438-K442 PolarHBondContact O-N 2.97Å; E439-K442 PolarHBondContact O-N 3.44Å; F440-K442 VanDerWaalsContact C-N 3.3Å; F440-K442 PolarHBondContact O-N 2.83Å; K442-V445 PolarHBondContact O-N 2.84Å; K442-D446 VanDerWaalsContact NZ-CG 3.28Å; K442-D446 IonicContact NZ-OD1 3.16Å; K442-D446 PolarHBondContact NZ-OD1 3.15Å; K442-D446 IonicContact NZ-OD2 2.76Å; K442-D446 PolarHBondContact NZ-OD2 3.49Å; K442-D446 WeakPolarHBondContact O-CB 3.35Å; K442-D446 PolarHBondContact O-N 3.17Å |
| 443 | E | 98.5 | Very high | 97.3 | Very high | 25 Ų | 25 | 44 Ų | 44 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 179.2 | -171.9 | 179.7 | 113.7 | 0 | 0 | 111.8 | E439 F440 V441 V445 G447 L460 K461 H462 S463 | E439-E443 WeakPolarHBondContact O-CB 3.41Å; E439-E443 PolarHBondContact O-N 3.42Å; F440-E443 PolarHBondContact O-N 2.84Å; V441-E443 PolarHBondContact O-N 3.09Å; E443-V445 VanDerWaalsContact C-N 3.34Å; E443-V445 PolarHBondContact O-N 3.1Å; E443-G447 WeakPolarHBondContact O-CA 3.44Å; E443-G447 PolarHBondContact O-N 3.02Å; E443-L460 HydrophobicContact CG-CB 4.12Å; E443-L460 HydrophobicContact CG-CD1 3.98Å; E443-L460 HydrophobicContact CG-CG 4.49Å; E443-L460 WeakPolarHBondContact OE1-CB 3.45Å; E443-K461 PolarHBondContact OE2-N 3.46Å; E443-H462 WeakPolarHBondContact OE1-CA 3.22Å; E443-H462 WeakPolarHBondContact OE1-CB 3.26Å; E443-H462 PolarHBondContact OE1-N 2.8Å; E443-H462 WeakPolarHBondContact OE2-CB 3.32Å; E443-H462 IonicContact OE2-CD2 3.07Å; E443-H462 PolarHBondContact OE2-CD2 2.88Å; E443-H462 VanDerWaalsContact OE2-CD2 3.32Å; E443-H462 IonicContact OE2-CG 3.54Å; E443-H462 PolarHBondContact OE2-N 2.87Å; E443-S463 WeakPolarHBondContact OE1-CB 3.28Å; E443-S463 PolarHBondContact OE1-N 3.47Å; E443-S463 PolarHBondContact OE1-OG 2.78Å |
| 444 | L | 98.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 175.6 | -72 | 179.8 | 0 | 0 | 0 | 111.4 | F440 V441 G447 V448 I709 V712 | F440-L444 HydrophobicContact CD1-CD1 3.94Å; F440-L444 HydrophobicContact CD1-CG 4.42Å; F440-L444 HydrophobicContact CE1-CD1 3.6Å; F440-L444 HydrophobicContact CE1-CG 4.17Å; F440-L444 HydrophobicContact CE2-CD2 4.28Å; F440-L444 HydrophobicContact CE2-CG 4.29Å; F440-L444 HydrophobicContact CZ-CD1 3.96Å; F440-L444 HydrophobicContact CZ-CD2 4.04Å; F440-L444 HydrophobicContact CZ-CG 4.1Å; F440-L444 WeakPolarHBondContact O-CG 3.48Å; F440-L444 PolarHBondContact O-N 2.93Å; V441-L444 PolarHBondContact O-N 3.47Å; L444-G447 PolarHBondContact O-N 2.86Å; L444-V448 WeakPolarHBondContact O-CG1 3.17Å; L444-V448 PolarHBondContact O-N 2.9Å; L444-I709 HydrophobicContact CD2-CD1 4.18Å; L444-I709 HydrophobicContact CD2-CG2 3.81Å; L444-V712 HydrophobicContact CD2-CG1 3.99Å |
| 445 | V | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.4 | -50.9 | -173.5 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | I377 F380 T398 I403 V441 K442 E443 G447 V448 I449 | I377-V445 HydrophobicContact CG2-CB 4.48Å; I377-V445 HydrophobicContact CG2-CG2 3.85Å; F380-V445 HydrophobicContact CD1-CG1 4.35Å; F380-V445 HydrophobicContact CD1-CG2 3.66Å; F380-V445 HydrophobicContact CE1-CG1 4.48Å; F380-V445 HydrophobicContact CE1-CG2 3.76Å; T398-V445 HydrophobicContact CG2-CG1 3.76Å; I403-V445 HydrophobicContact CD1-CB 4.47Å; V441-V445 HydrophobicContact CG1-CG2 4.17Å; V441-V445 WeakPolarHBondContact O-CB 3.3Å; V441-V445 WeakPolarHBondContact O-CG2 3.22Å; V441-V445 PolarHBondContact O-N 3.36Å; K442-V445 PolarHBondContact O-N 2.84Å; E443-V445 VanDerWaalsContact C-N 3.34Å; E443-V445 PolarHBondContact O-N 3.1Å; V445-G447 PolarHBondContact O-N 2.79Å; V445-V448 WeakPolarHBondContact O-CG2 3.33Å; V445-I449 VanDerWaalsContact O-CG1 3.24Å; V445-I449 WeakPolarHBondContact O-CG1 3.39Å; V445-I449 PolarHBondContact O-N 2.75Å; V445-I449 VanDerWaalsContact O-N 3.16Å |
| 446 | D | 97.9 | Very high | 96.6 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -38.1 | 174.3 | -76.5 | -18.8 | 0 | 0 | 0 | 110.9 | T398 K442 I449 G450 N451 | T398-D446 PolarHBondContact OG1-OD1 2.99Å; K442-D446 VanDerWaalsContact NZ-CG 3.28Å; K442-D446 IonicContact NZ-OD1 3.16Å; K442-D446 PolarHBondContact NZ-OD1 3.15Å; K442-D446 IonicContact NZ-OD2 2.76Å; K442-D446 PolarHBondContact NZ-OD2 3.49Å; K442-D446 WeakPolarHBondContact O-CB 3.35Å; K442-D446 PolarHBondContact O-N 3.17Å; D446-I449 PolarHBondContact O-N 3.03Å; D446-G450 PolarHBondContact O-N 2.63Å; D446-N451 WeakPolarHBondContact CB-OD1 3.42Å; D446-N451 PolarHBondContact O-OD1 3.16Å; D446-N451 PolarHBondContact OD1-ND2 2.85Å; D446-N451 VanDerWaalsContact OD1-ND2 3.16Å |
| 447 | G | 98.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -49.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | E443 L444 V445 G450 T705 P706 | E443-G447 WeakPolarHBondContact O-CA 3.44Å; E443-G447 PolarHBondContact O-N 3.02Å; L444-G447 PolarHBondContact O-N 2.86Å; V445-G447 PolarHBondContact O-N 2.79Å; G447-G450 PolarHBondContact O-N 3.48Å; G447-T705 CarbonylContact O-C 3.3Å; G447-T705 WeakPolarHBondContact O-CB 3.46Å; G447-T705 PolarHBondContact O-OG1 2.95Å; G447-P706 VanDerWaalsContact O-CA 3.28Å; G447-P706 WeakPolarHBondContact O-CA 3.43Å; G447-P706 WeakPolarHBondContact O-CD 3.34Å; G447-P706 WeakPolarHBondContact O-CG 3.49Å |
| 448 | V | 98.2 | Very high | 96.3 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.5 | -31.7 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | F374 I377 I378 L444 V445 G450 I709 | F374-V448 HydrophobicContact CD2-CB 4.45Å; F374-V448 HydrophobicContact CD2-CG1 3.68Å; F374-V448 HydrophobicContact CE2-CB 4.02Å; F374-V448 HydrophobicContact CE2-CG1 3.61Å; F374-V448 HydrophobicContact CZ-CB 4.35Å; F374-V448 HydrophobicContact CZ-CG1 4.39Å; I377-V448 HydrophobicContact CB-CG1 4.27Å; I377-V448 HydrophobicContact CB-CG2 3.97Å; I377-V448 HydrophobicContact CG2-CB 4.46Å; I377-V448 HydrophobicContact CG2-CG1 4.15Å; I377-V448 HydrophobicContact CG2-CG2 3.45Å; I377-V448 VanDerWaalsContact CG2-CG2 3.45Å; I378-V448 HydrophobicContact CG1-CB 3.85Å; I378-V448 HydrophobicContact CG1-CG2 3.86Å; L444-V448 WeakPolarHBondContact O-CG1 3.17Å; L444-V448 PolarHBondContact O-N 2.9Å; V445-V448 WeakPolarHBondContact O-CG2 3.33Å; V448-G450 VanDerWaalsContact C-N 3.29Å; V448-I709 HydrophobicContact CG1-CB 3.88Å; V448-I709 HydrophobicContact CG1-CG1 4.31Å; V448-I709 HydrophobicContact CG1-CG2 3.42Å; V448-I709 VanDerWaalsContact CG1-CG2 3.42Å |
| 449 | I | 97.6 | Very high | 96.3 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.9 | -28.9 | 176.7 | -64.9 | -63 | 0 | 0 | 0 | 110.6 | V445 D446 N451 | V445-I449 VanDerWaalsContact O-CG1 3.24Å; V445-I449 WeakPolarHBondContact O-CG1 3.39Å; V445-I449 PolarHBondContact O-N 2.75Å; V445-I449 VanDerWaalsContact O-N 3.16Å; D446-I449 PolarHBondContact O-N 3.03Å; I449-N451 VanDerWaalsContact C-N 3.28Å; I449-N451 HydrophobicContact CG2-CB 3.94Å; I449-N451 PolarHBondContact O-N 2.75Å |
| 450 | G | 96.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 36% | 0.361 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 31.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D446 G447 V448 N452 T705 | D446-G450 PolarHBondContact O-N 2.63Å; G447-G450 PolarHBondContact O-N 3.48Å; V448-G450 VanDerWaalsContact C-N 3.29Å; G450-N452 VanDerWaalsContact C-N 3.29Å; G450-N452 PolarHBondContact O-N 3.21Å; G450-T705 WeakPolarHBondContact CA-OG1 3.43Å |
| 451 | N | 92.9 | Very high | 96.2 | Very high | 57 Ų | 57 | 42.4 Ų | 42.4 | 31% | 0.305 | 22% | 0.224 | S | C | . | . | trans | -78.5 | -9.5 | -177.7 | 59.3 | -10.6 | 0 | 0 | 0 | 113.9 | D446 I449 | D446-N451 WeakPolarHBondContact CB-OD1 3.42Å; D446-N451 PolarHBondContact O-OD1 3.16Å; D446-N451 PolarHBondContact OD1-ND2 2.85Å; D446-N451 VanDerWaalsContact OD1-ND2 3.16Å; I449-N451 VanDerWaalsContact C-N 3.28Å; I449-N451 HydrophobicContact CG2-CB 3.94Å; I449-N451 PolarHBondContact O-N 2.75Å | ||
| 452 | N | 92.1 | Very high | 96.2 | Very high | 98 Ų | 98 | 42.6 Ų | 42.6 | 52% | 0.524 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -138.8 | 153.8 | 179.9 | -64.5 | -78.1 | 0 | 0 | 0 | 110.8 | G450 | G450-N452 VanDerWaalsContact C-N 3.29Å; G450-N452 PolarHBondContact O-N 3.21Å |
| 453 | Y | 92.3 | Very high | 96.2 | Very high | 158 Ų | 158 | 40.7 Ų | 40.7 | 62% | 0.62 | 22% | 0.217 | S | C | * | . | trans | -60.9 | 152.1 | 163.2 | -65.1 | -66.3 | 0 | 0 | 0 | 110.6 | V455 T700 | Y453-V455 PolarHBondContact O-N 3.36Å; Y453-T700 HydrophobicContact CD1-CG2 4.22Å; Y453-T700 HydrophobicContact CE1-CG2 3.75Å; Y453-T700 HydrophobicContact CE2-CG2 4.32Å | ||
| 454 | P | 93.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.071 | 22% | 0.218 | C | C | . | . | trans | -59.6 | 134.5 | 176.7 | 24.3 | -33.3 | 0 | 0 | 0 | 111.2 | P456 S457 L460 T705 | P454-P456 CarbonylContact C-O 3.59Å; P454-P456 VanDerWaalsContact C-O 3.3Å; P454-P456 CarbonylContact O-C 3.56Å; P454-S457 WeakPolarHBondContact O-CA 3.4Å; P454-S457 PolarHBondContact O-N 3.48Å; P454-L460 HydrophobicContact CB-CD2 4.39Å; P454-T705 HydrophobicContact CB-CG2 3.98Å | ||
| 455 | V | 92.2 | Very high | 96.3 | Very high | 116 Ų | 116 | 44.9 Ų | 44.9 | 70% | 0.703 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -130.3 | 117 | 174 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | Y453 | Y453-V455 PolarHBondContact O-N 3.36Š|
| 456 | P | 93.9 | Very high | 96.3 | Very high | 71 Ų | 71 | 44.9 Ų | 44.9 | 46% | 0.461 | 23% | 0.232 | S | C | . | . | S | Bend | cis | -57 | 159.3 | -11.5 | -22.7 | 33.4 | 0 | 0 | 0 | 113.8 | P454 R458 I459 | P454-P456 CarbonylContact C-O 3.59Å; P454-P456 VanDerWaalsContact C-O 3.3Å; P454-P456 CarbonylContact O-C 3.56Å; P456-R458 PolarHBondContact O-N 3.48Å; P456-I459 WeakPolarHBondContact CD-O 3.31Å; P456-I459 PolarHBondContact O-N 3.12Å |
| 457 | S | 93.2 | Very high | 96.3 | Very high | 23 Ų | 23 | 43.5 Ų | 43.5 | 16% | 0.161 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -58.4 | -34.7 | -179.8 | -55.6 | 0 | 0 | 0 | 0 | 113 | P454 G702 | P454-S457 WeakPolarHBondContact O-CA 3.4Å; P454-S457 PolarHBondContact O-N 3.48Å; S457-G702 VanDerWaalsContact O-CA 3.25Å; S457-G702 WeakPolarHBondContact O-CA 3.43Å |
| 458 | R | 96.4 | Very high | 96.3 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 11% | 0.109 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -61.7 | -54.6 | 179.6 | 179.4 | 172.1 | 59.7 | 83.5 | 7.9 | 112.7 | P456 E464 L487 F488 P489 D686 V689 | P456-R458 PolarHBondContact O-N 3.48Å; R458-E464 IonicContact CZ-OE1 2.75Å; R458-E464 IonicContact CZ-OE2 3.81Å; R458-E464 IonicContact NH1-OE1 2.65Å; R458-E464 PolarHBondContact NH1-OE1 3.4Å; R458-E464 IonicContact NH1-OE2 3.01Å; R458-E464 PolarHBondContact NH1-OE2 2.99Å; R458-E464 IonicContact NH2-OE1 3.38Å; R458-E464 PolarHBondContact NH2-OE1 3.38Å; R458-E464 IonicContact NH2-OE2 3.51Å; R458-E464 PolarHBondContact NH2-OE2 2.94Å; R458-L487 WeakPolarHBondContact CD-O 3.32Å; R458-L487 WeakPolarHBondContact CG-O 3.35Å; R458-L487 VanDerWaalsContact NH1-N 3.14Å; R458-L487 PolarHBondContact NH1-O 3.34Å; R458-F488 HydrophobicContact CG-CB 4.25Å; R458-F488 HydrophobicContact CG-CD2 4.35Å; R458-P489 WeakPolarHBondContact O-CD 3.48Å; R458-D686 IonicContact NE-OD1 3.32Å; R458-V689 HydrophobicContact CB-CG2 3.78Å; R458-V689 HydrophobicContact CG-CG2 3.62Å |
| 459 | I | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -163.8 | 144.5 | -175.5 | -173.7 | 168.3 | 0 | 0 | 0 | 109.4 | P456 E464 I467 L487 P489 | P456-I459 WeakPolarHBondContact CD-O 3.31Å; P456-I459 PolarHBondContact O-N 3.12Å; I459-E464 HydrophobicContact CD1-CB 3.59Å; I459-E464 HydrophobicContact CD1-CG 4.11Å; I459-E464 HydrophobicContact CG1-CB 3.97Å; I459-E464 HydrophobicContact CG2-CB 3.83Å; I459-E464 HydrophobicContact CG2-CG 4.1Å; I459-E464 WeakPolarHBondContact CG2-OE2 3.39Å; I459-I467 HydrophobicContact CD1-CD1 4.27Å; I459-L487 HydrophobicContact CD1-CB 3.93Å; I459-L487 HydrophobicContact CD1-CD1 4.45Å; I459-P489 HydrophobicContact CB-CG 4.08Å; I459-P489 HydrophobicContact CD1-CG 3.47Å; I459-P489 VanDerWaalsContact CD1-CG 3.47Å; I459-P489 HydrophobicContact CG1-CG 3.68Å |
| 460 | L | 98.2 | Very high | 96.4 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | trans | -63.1 | 140 | 173.5 | -64.7 | 175.4 | 0 | 0 | 0 | 111.1 | E443 P454 H462 S463 E464 T705 I709 | E443-L460 HydrophobicContact CG-CB 4.12Å; E443-L460 HydrophobicContact CG-CD1 3.98Å; E443-L460 HydrophobicContact CG-CG 4.49Å; E443-L460 WeakPolarHBondContact OE1-CB 3.45Å; P454-L460 HydrophobicContact CB-CD2 4.39Å; L460-H462 PolarHBondContact O-N 3.18Å; L460-S463 WeakPolarHBondContact CB-OG 3.39Å; L460-S463 PolarHBondContact O-N 3.09Å; L460-E464 PolarHBondContact O-N 3.2Å; L460-T705 HydrophobicContact CD1-CG2 4.12Å; L460-T705 HydrophobicContact CD2-CG2 4.19Å; L460-T705 HydrophobicContact CG-CG2 4.41Å; L460-I709 HydrophobicContact CD1-CD1 3.91Å | ||
| 461 | K | 97.8 | Very high | 96.5 | Very high | 115 Ų | 115 | 39.9 Ų | 39.9 | 50% | 0.5 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.9 | -46.5 | -167.4 | 179.6 | -172.3 | 173.1 | -164.4 | 0 | 113.3 | E439 E443 | E439-K461 IonicContact OE2-NZ 2.71Å; E443-K461 PolarHBondContact OE2-N 3.46Å |
| 462 | H | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.023 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -87.9 | -29.8 | -176.8 | -57.7 | -51.1 | 0 | 0 | 0 | 111.9 | I435 E439 F440 E443 L460 E464 R465 V466 | I435-H462 HydrophobicContact CD1-CB 4.17Å; I435-H462 HydrophobicContact CG2-CB 4.12Å; I435-H462 WeakPolarHBondContact CG2-ND1 3.42Å; E439-H462 WeakPolarHBondContact CB-NE2 3.35Å; E439-H462 IonicContact OE2-CE1 3.78Å; E439-H462 PolarHBondContact OE2-CE1 3.25Å; E439-H462 VanDerWaalsContact OE2-CE1 3.22Å; E439-H462 IonicContact OE2-NE2 3.98Å; E439-H462 PolarHBondContact OE2-NE2 2.91Å; F440-H462 HydrophobicContact CD2-CB 3.86Å; F440-H462 HydrophobicContact CE2-CB 4.35Å; E443-H462 WeakPolarHBondContact OE1-CA 3.22Å; E443-H462 WeakPolarHBondContact OE1-CB 3.26Å; E443-H462 PolarHBondContact OE1-N 2.8Å; E443-H462 WeakPolarHBondContact OE2-CB 3.32Å; E443-H462 IonicContact OE2-CD2 3.07Å; E443-H462 PolarHBondContact OE2-CD2 2.88Å; E443-H462 VanDerWaalsContact OE2-CD2 3.32Å; E443-H462 IonicContact OE2-CG 3.54Å; E443-H462 PolarHBondContact OE2-N 2.87Å; L460-H462 PolarHBondContact O-N 3.18Å; H462-E464 VanDerWaalsContact C-N 3.31Å; H462-E464 PolarHBondContact O-N 3.31Å; H462-R465 WeakPolarHBondContact O-CB 3.39Å; H462-R465 PolarHBondContact O-N 2.99Å; H462-R465 VanDerWaalsContact O-N 3.12Å; H462-V466 PolarHBondContact O-N 2.94Å |
| 463 | S | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.4 | -42.9 | 172.7 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | E443 L460 R465 V466 I467 V712 | E443-S463 WeakPolarHBondContact OE1-CB 3.28Å; E443-S463 PolarHBondContact OE1-N 3.47Å; E443-S463 PolarHBondContact OE1-OG 2.78Å; L460-S463 WeakPolarHBondContact CB-OG 3.39Å; L460-S463 PolarHBondContact O-N 3.09Å; S463-R465 VanDerWaalsContact C-N 3.28Å; S463-R465 PolarHBondContact O-N 3.15Å; S463-V466 PolarHBondContact O-N 3.47Å; S463-I467 WeakPolarHBondContact O-CG1 3.13Å; S463-I467 PolarHBondContact O-N 3.09Å; S463-V712 VanDerWaalsContact CB-CG2 3.44Å; S463-V712 WeakPolarHBondContact OG-CG2 3.35Å |
| 464 | E | 98.6 | Very high | 97 | Very high | 28 Ų | 28 | 30.3 Ų | 30.3 | 13% | 0.131 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.9 | -40.9 | 174.4 | -177.6 | 161.1 | -147.2 | 0 | 0 | 113 | R458 I459 L460 H462 N468 D486 L487 | R458-E464 IonicContact CZ-OE1 2.75Å; R458-E464 IonicContact CZ-OE2 3.81Å; R458-E464 IonicContact NH1-OE1 2.65Å; R458-E464 PolarHBondContact NH1-OE1 3.4Å; R458-E464 IonicContact NH1-OE2 3.01Å; R458-E464 PolarHBondContact NH1-OE2 2.99Å; R458-E464 IonicContact NH2-OE1 3.38Å; R458-E464 PolarHBondContact NH2-OE1 3.38Å; R458-E464 IonicContact NH2-OE2 3.51Å; R458-E464 PolarHBondContact NH2-OE2 2.94Å; I459-E464 HydrophobicContact CD1-CB 3.59Å; I459-E464 HydrophobicContact CD1-CG 4.11Å; I459-E464 HydrophobicContact CG1-CB 3.97Å; I459-E464 HydrophobicContact CG2-CB 3.83Å; I459-E464 HydrophobicContact CG2-CG 4.1Å; I459-E464 WeakPolarHBondContact CG2-OE2 3.39Å; L460-E464 PolarHBondContact O-N 3.2Å; H462-E464 VanDerWaalsContact C-N 3.31Å; H462-E464 PolarHBondContact O-N 3.31Å; E464-N468 VanDerWaalsContact O-CB 3.26Å; E464-N468 WeakPolarHBondContact O-CB 3.43Å; E464-N468 PolarHBondContact O-N 3.23Å; E464-N468 PolarHBondContact O-ND2 2.87Å; E464-N468 VanDerWaalsContact O-ND2 3.17Å; E464-D486 WeakPolarHBondContact OE1-CA 3.48Å; E464-L487 HydrophobicContact CG-CB 4.28Å; E464-L487 HydrophobicContact CG-CD1 4.31Å; E464-L487 HydrophobicContact CG-CG 4.34Å; E464-L487 PolarHBondContact OE1-N 2.93Å |
| 465 | R | 98.5 | Very high | 97.3 | Very high | 91 Ų | 91 | 29.8 Ų | 29.8 | 34% | 0.343 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -70.5 | -40.6 | -178.2 | -62.2 | 167.5 | 73.3 | 174.4 | 8.8 | 111.4 | L433 K434 I435 H462 S463 A469 | L433-R465 PolarHBondContact O-NH2 3.41Å; K434-R465 PolarHBondContact O-NH2 3.26Å; I435-R465 HydrophobicContact CD1-CB 4.32Å; I435-R465 VanDerWaalsContact CG1-CZ 3.48Å; I435-R465 VanDerWaalsContact CG1-NH1 3.31Å; H462-R465 WeakPolarHBondContact O-CB 3.39Å; H462-R465 PolarHBondContact O-N 2.99Å; H462-R465 VanDerWaalsContact O-N 3.12Å; S463-R465 VanDerWaalsContact C-N 3.28Å; S463-R465 PolarHBondContact O-N 3.15Å; R465-A469 WeakPolarHBondContact O-CB 2.93Å; R465-A469 PolarHBondContact O-N 3.16Å; R465-A469 VanDerWaalsContact O-N 3.08Å |
| 466 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.9 | -46.4 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | L433 I435 F440 H462 S463 A469 Y470 V712 L716 L719 | L433-V466 HydrophobicContact CD1-CB 4.29Å; L433-V466 HydrophobicContact CD1-CG2 3.66Å; I435-V466 HydrophobicContact CD1-CG2 4.42Å; F440-V466 HydrophobicContact CE2-CG2 3.99Å; F440-V466 HydrophobicContact CZ-CG2 4.16Å; H462-V466 PolarHBondContact O-N 2.94Å; S463-V466 PolarHBondContact O-N 3.47Å; V466-A469 PolarHBondContact O-N 3.22Å; V466-Y470 PolarHBondContact O-N 3.17Å; V466-Y470 VanDerWaalsContact O-N 3.07Å; V466-V712 HydrophobicContact CB-CG1 4.34Å; V466-V712 HydrophobicContact CG1-CG1 4.06Å; V466-V712 HydrophobicContact CG2-CG1 4.44Å; V466-L716 HydrophobicContact CG1-CD1 4.49Å; V466-L716 HydrophobicContact CG1-CD2 3.98Å; V466-L716 HydrophobicContact CG1-CG 3.83Å; V466-L719 HydrophobicContact CG1-CD1 4.03Å |
| 467 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.6 | -42.4 | -180 | -64.9 | 167.7 | 0 | 0 | 0 | 110.4 | I459 S463 A469 Y470 L471 L487 Y631 V644 E711 V712 | I459-I467 HydrophobicContact CD1-CD1 4.27Å; S463-I467 WeakPolarHBondContact O-CG1 3.13Å; S463-I467 PolarHBondContact O-N 3.09Å; I467-A469 VanDerWaalsContact C-N 3.33Å; I467-A469 PolarHBondContact O-N 3.25Å; I467-Y470 WeakPolarHBondContact O-CB 3.22Å; I467-Y470 PolarHBondContact O-N 2.79Å; I467-Y470 VanDerWaalsContact O-N 3.14Å; I467-L471 HydrophobicContact CG2-CD1 4.23Å; I467-L471 HydrophobicContact CG2-CG 4.32Å; I467-L471 WeakPolarHBondContact O-CG 3.38Å; I467-L471 PolarHBondContact O-N 2.93Å; I467-L487 HydrophobicContact CB-CD1 3.78Å; I467-L487 HydrophobicContact CG2-CD1 3.53Å; I467-Y631 WeakPolarHBondContact CG2-OH 3.45Å; I467-V644 HydrophobicContact CG2-CG1 4.45Å; I467-E711 HydrophobicContact CD1-CB 3.91Å; I467-E711 HydrophobicContact CG1-CB 4.46Å; I467-V712 HydrophobicContact CD1-CG2 4.31Å; I467-V712 HydrophobicContact CG1-CG2 4.3Å |
| 468 | N | 98.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 26.2 Ų | 26.2 | 4% | 0.043 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 174.4 | -94.4 | -50.9 | 0 | 0 | 0 | 112.4 | E464 Y470 L471 E472 A482 T485 L487 | E464-N468 VanDerWaalsContact O-CB 3.26Å; E464-N468 WeakPolarHBondContact O-CB 3.43Å; E464-N468 PolarHBondContact O-N 3.23Å; E464-N468 PolarHBondContact O-ND2 2.87Å; E464-N468 VanDerWaalsContact O-ND2 3.17Å; N468-Y470 VanDerWaalsContact C-N 3.27Å; N468-Y470 PolarHBondContact O-N 3.1Å; N468-L471 PolarHBondContact O-N 3.24Å; N468-E472 WeakPolarHBondContact O-CB 3.38Å; N468-E472 PolarHBondContact O-N 3.03Å; N468-A482 HydrophobicContact CB-CB 4.01Å; N468-T485 PolarHBondContact ND2-O 3.14Å; N468-T485 VanDerWaalsContact ND2-O 3.11Å; N468-T485 WeakPolarHBondContact OD1-CB 3.34Å; N468-T485 WeakPolarHBondContact OD1-CG2 3.2Å; N468-L487 HydrophobicContact CB-CD1 4.21Å |
| 469 | A | 98.3 | Very high | 97.7 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L433 R465 V466 I467 S473 L719 | L433-A469 HydrophobicContact CD2-CB 3.79Å; R465-A469 WeakPolarHBondContact O-CB 2.93Å; R465-A469 PolarHBondContact O-N 3.16Å; R465-A469 VanDerWaalsContact O-N 3.08Å; V466-A469 PolarHBondContact O-N 3.22Å; I467-A469 VanDerWaalsContact C-N 3.33Å; I467-A469 PolarHBondContact O-N 3.25Å; A469-S473 WeakPolarHBondContact O-CB 3.28Å; A469-S473 PolarHBondContact O-N 3.13Å; A469-L719 HydrophobicContact CB-CD1 4.06Å; A469-L719 HydrophobicContact CB-CD2 4.36Å |
| 470 | Y | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.1 | -45.5 | 175.9 | 169.9 | -103.3 | 0 | 0 | 0 | 113.2 | V466 I467 N468 E472 S473 T474 Y629 Y631 L634 F635 H718 | V466-Y470 PolarHBondContact O-N 3.17Å; V466-Y470 VanDerWaalsContact O-N 3.07Å; I467-Y470 WeakPolarHBondContact O-CB 3.22Å; I467-Y470 PolarHBondContact O-N 2.79Å; I467-Y470 VanDerWaalsContact O-N 3.14Å; N468-Y470 VanDerWaalsContact C-N 3.27Å; N468-Y470 PolarHBondContact O-N 3.1Å; Y470-E472 VanDerWaalsContact C-N 3.3Å; Y470-E472 PolarHBondContact O-N 3.46Å; Y470-S473 PolarHBondContact O-N 3.31Å; Y470-S473 PolarHBondContact O-OG 2.59Å; Y470-T474 HydrophobicContact CD2-CG2 3.97Å; Y470-T474 HydrophobicContact CE2-CG2 3.47Å; Y470-T474 VanDerWaalsContact CE2-CG2 3.47Å; Y470-T474 WeakPolarHBondContact O-CB 3.38Å; Y470-T474 PolarHBondContact O-N 3.2Å; Y470-T474 PolarHBondContact O-OG1 3.41Å; Y470-Y629 AromaticContact CE1-CE1 3.72Å; Y470-Y629 HydrophobicContact CE1-CE1 3.72Å; Y470-Y629 AromaticContact CE1-CZ 3.93Å; Y470-Y629 PolarHBondContact OH-OH 2.71Å; Y470-Y631 HydrophobicContact CD1-CE1 4.22Å; Y470-Y631 WeakPolarHBondContact CD1-OH 3.45Å; Y470-Y631 AromaticContact CE1-CE1 3.9Å; Y470-Y631 HydrophobicContact CE1-CE1 3.9Å; Y470-L634 WeakPolarHBondContact OH-CD2 3.21Å; Y470-F635 HydrophobicContact CE1-CE2 4.49Å; Y470-F635 HydrophobicContact CE2-CZ 4.16Å; Y470-F635 AromaticContact CZ-CE2 3.97Å; Y470-F635 AromaticContact CZ-CZ 3.88Å; Y470-F635 WeakPolarHBondContact OH-CE2 3.23Å; Y470-F635 WeakPolarHBondContact OH-CZ 3.32Å; Y470-H718 HydrophobicContact CD2-CB 3.78Å; Y470-H718 AromaticContact CD2-CD2 3.57Å; Y470-H718 AromaticContact CD2-CG 3.88Å; Y470-H718 HydrophobicContact CE2-CB 3.59Å; Y470-H718 AromaticContact CE2-CD2 3.74Å; Y470-H718 AromaticContact CE2-CG 3.69Å |
| 471 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 176 | -63.5 | 177.1 | 0 | 0 | 0 | 110.9 | I467 N468 S473 T474 L475 Y476 L487 Y629 V644 A646 | I467-L471 HydrophobicContact CG2-CD1 4.23Å; I467-L471 HydrophobicContact CG2-CG 4.32Å; I467-L471 WeakPolarHBondContact O-CG 3.38Å; I467-L471 PolarHBondContact O-N 2.93Å; N468-L471 PolarHBondContact O-N 3.24Å; L471-S473 PolarHBondContact O-N 3.19Å; L471-T474 PolarHBondContact O-N 2.62Å; L471-L475 HydrophobicContact CD2-CD1 3.81Å; L471-L475 WeakPolarHBondContact O-CB 3.29Å; L471-L475 PolarHBondContact O-N 3.36Å; L471-Y476 HydrophobicContact CB-CE1 4.22Å; L471-L487 HydrophobicContact CD1-CD1 4.42Å; L471-L487 HydrophobicContact CD1-CD2 3.84Å; L471-Y629 HydrophobicContact CD2-CD1 3.71Å; L471-Y629 HydrophobicContact CD2-CD2 4.39Å; L471-Y629 HydrophobicContact CD2-CE1 4.38Å; L471-Y629 HydrophobicContact CD2-CG 3.72Å; L471-V644 HydrophobicContact CD1-CG1 4.06Å; L471-V644 HydrophobicContact CD2-CG1 4.43Å; L471-A646 HydrophobicContact CD1-CB 4.45Å |
| 472 | E | 97.7 | Very high | 97.6 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 175.5 | -176.6 | 178.6 | 106.1 | 0 | 0 | 112.8 | N468 Y470 Y476 E479 K480 L481 A482 | N468-E472 WeakPolarHBondContact O-CB 3.38Å; N468-E472 PolarHBondContact O-N 3.03Å; Y470-E472 VanDerWaalsContact C-N 3.3Å; Y470-E472 PolarHBondContact O-N 3.46Å; E472-Y476 HydrophobicContact CB-CD2 3.74Å; E472-Y476 HydrophobicContact CB-CE2 4.03Å; E472-Y476 HydrophobicContact CB-CG 4.49Å; E472-Y476 HydrophobicContact CG-CD2 3.9Å; E472-E479 WeakPolarHBondContact CG-O 3.43Å; E472-K480 HydrophobicContact CG-CD 4.49Å; E472-K480 WeakPolarHBondContact OE1-CD 3.49Å; E472-K480 IonicContact OE1-NZ 3.15Å; E472-K480 PolarHBondContact OE1-NZ 3.39Å; E472-K480 WeakPolarHBondContact OE2-CA 3.37Å; E472-L481 PolarHBondContact OE2-N 3.48Å; E472-A482 HydrophobicContact CB-CB 4.11Å; E472-A482 WeakPolarHBondContact OE2-CB 3.43Å; E472-A482 PolarHBondContact OE2-N 2.87Å |
| 473 | S | 95.9 | Very high | 97.6 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 43% | 0.434 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71.8 | -32.3 | -179.7 | 72.8 | 0 | 0 | 0 | 0 | 113.1 | A469 Y470 L471 H718 | A469-S473 WeakPolarHBondContact O-CB 3.28Å; A469-S473 PolarHBondContact O-N 3.13Å; Y470-S473 PolarHBondContact O-N 3.31Å; Y470-S473 PolarHBondContact O-OG 2.59Å; L471-S473 PolarHBondContact O-N 3.19Å; S473-H718 PolarHBondContact OG-CD2 3.45Å; S473-H718 PolarHBondContact OG-NE2 2.93Å |
| 474 | T | 95.5 | Very high | 97.5 | Very high | 20 Ų | 20 | 44 Ų | 44 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -99.3 | -32.4 | -172 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | Y470 L471 H718 | Y470-T474 HydrophobicContact CD2-CG2 3.97Å; Y470-T474 HydrophobicContact CE2-CG2 3.47Å; Y470-T474 VanDerWaalsContact CE2-CG2 3.47Å; Y470-T474 WeakPolarHBondContact O-CB 3.38Å; Y470-T474 PolarHBondContact O-N 3.2Å; Y470-T474 PolarHBondContact O-OG1 3.41Å; L471-T474 PolarHBondContact O-N 2.62Å; T474-H718 VanDerWaalsContact CG2-NE2 3.31Å; T474-H718 WeakPolarHBondContact CG2-NE2 3.37Å |
| 475 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -114.7 | -24.1 | -168.7 | -53.3 | -178.8 | 0 | 0 | 0 | 114.3 | L471 D605 T609 F614 K615 T616 L627 Y629 | L471-L475 HydrophobicContact CD2-CD1 3.81Å; L471-L475 WeakPolarHBondContact O-CB 3.29Å; L471-L475 PolarHBondContact O-N 3.36Å; L475-D605 HydrophobicContact CD1-CB 4.47Å; L475-T609 HydrophobicContact CD2-CG2 4.37Å; L475-F614 HydrophobicContact CB-CD1 4.35Å; L475-F614 HydrophobicContact CB-CE1 4.41Å; L475-F614 HydrophobicContact CD2-CD1 3.76Å; L475-F614 HydrophobicContact CD2-CE1 3.91Å; L475-K615 WeakPolarHBondContact O-CA 3.26Å; L475-T616 HydrophobicContact CB-CG2 4.23Å; L475-T616 WeakPolarHBondContact O-CG2 3Å; L475-T616 PolarHBondContact O-N 3.46Å; L475-L627 HydrophobicContact CD1-CD1 4.48Å; L475-L627 HydrophobicContact CD1-CD2 4.16Å; L475-Y629 HydrophobicContact CD1-CD2 3.74Å; L475-Y629 HydrophobicContact CD1-CE2 4.34Å; L475-Y629 HydrophobicContact CD1-CG 4.23Å; L475-Y629 HydrophobicContact CD2-CD2 4.45Å; L475-Y629 HydrophobicContact CD2-CE2 4.38Å |
| 476 | Y | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -93.2 | -0.1 | -165.1 | -61.3 | -1.6 | 0 | 0 | 0 | 113.9 | L471 E472 G478 E479 L481 T616 Y618 L627 | L471-Y476 HydrophobicContact CB-CE1 4.22Å; E472-Y476 HydrophobicContact CB-CD2 3.74Å; E472-Y476 HydrophobicContact CB-CE2 4.03Å; E472-Y476 HydrophobicContact CB-CG 4.49Å; E472-Y476 HydrophobicContact CG-CD2 3.9Å; Y476-G478 VanDerWaalsContact C-N 3.27Å; Y476-G478 PolarHBondContact O-N 3.39Å; Y476-E479 WeakPolarHBondContact O-CB 3.37Å; Y476-E479 WeakPolarHBondContact O-CG 3.43Å; Y476-E479 PolarHBondContact O-N 2.92Å; Y476-E479 VanDerWaalsContact O-N 3.07Å; Y476-L481 HydrophobicContact CD2-CB 3.8Å; Y476-L481 HydrophobicContact CD2-CD1 4.34Å; Y476-L481 HydrophobicContact CD2-CG 4.46Å; Y476-L481 HydrophobicContact CE2-CB 3.78Å; Y476-T616 HydrophobicContact CD1-CG2 3.51Å; Y476-T616 HydrophobicContact CE1-CG2 3.91Å; Y476-Y618 AromaticContact CE1-CD1 3.87Å; Y476-Y618 HydrophobicContact CE1-CD1 3.87Å; Y476-Y618 HydrophobicContact CE1-CE1 4.37Å; Y476-Y618 HydrophobicContact CE2-CE1 4.31Å; Y476-Y618 AromaticContact CZ-CD1 3.85Å; Y476-Y618 AromaticContact CZ-CE1 3.88Å; Y476-L627 HydrophobicContact CE1-CD2 3.83Å |
| 477 | R | 96 | Very high | 97.5 | Very high | 77 Ų | 77 | 39 Ų | 39 | 29% | 0.291 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.5 | 50.8 | -177.7 | -159.8 | -166.7 | -73.5 | 172 | 2.7 | 113.1 | D583 E613 K615 | R477-D583 IonicContact CZ-OD1 3.93Å; R477-D583 IonicContact NH1-OD1 3.3Å; R477-D583 PolarHBondContact NH1-OD1 3.28Å; R477-D583 IonicContact NH1-OD2 2.56Å; R477-D583 PolarHBondContact NH1-OD2 3.2Å; R477-D583 IonicContact NH2-OD1 3.96Å; R477-E613 PolarHBondContact NE-O 2.97Å; R477-E613 PolarHBondContact NH2-O 2.65Å; R477-K615 HydrophobicContact CB-CB 3.91Å; R477-K615 HydrophobicContact CB-CD 4.07Å; R477-K615 HydrophobicContact CB-CG 3.96Å |
| 478 | G | 94 | Very high | 97.5 | Very high | 58 Ų | 58 | 39 Ų | 39 | 60% | 0.598 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -9.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y476 K480 | Y476-G478 VanDerWaalsContact C-N 3.27Å; Y476-G478 PolarHBondContact O-N 3.39Å; G478-K480 PolarHBondContact O-N 2.84Å |
| 479 | E | 97.4 | Very high | 97.5 | Very high | 82 Ų | 82 | 38.6 Ų | 38.6 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | trans | -67.4 | 131.5 | 174.5 | -57.4 | -63.5 | 166 | 0 | 0 | 110.9 | E472 Y476 L481 K615 | E472-E479 WeakPolarHBondContact CG-O 3.43Å; Y476-E479 WeakPolarHBondContact O-CB 3.37Å; Y476-E479 WeakPolarHBondContact O-CG 3.43Å; Y476-E479 PolarHBondContact O-N 2.92Å; Y476-E479 VanDerWaalsContact O-N 3.07Å; E479-L481 HydrophobicContact CB-CD1 4.23Å; E479-L481 HydrophobicContact CB-CG 4.28Å; E479-L481 PolarHBondContact O-N 2.98Å; E479-K615 IonicContact OE1-NZ 3.81Å; E479-K615 PolarHBondContact OE1-NZ 2.92Å | ||
| 480 | K | 97.7 | Very high | 97.5 | Very high | 147 Ų | 147 | 38 Ų | 38 | 64% | 0.639 | 20% | 0.2 | S | C | * | . | trans | -92.3 | 84.5 | -175.7 | -63.2 | -52.2 | -169.3 | -175.8 | 0 | 111.8 | E472 G478 Q484 | E472-K480 HydrophobicContact CG-CD 4.49Å; E472-K480 WeakPolarHBondContact OE1-CD 3.49Å; E472-K480 IonicContact OE1-NZ 3.15Å; E472-K480 PolarHBondContact OE1-NZ 3.39Å; E472-K480 WeakPolarHBondContact OE2-CA 3.37Å; G478-K480 PolarHBondContact O-N 2.84Å; K480-Q484 PolarHBondContact O-NE2 3.25Å | ||
| 481 | L | 97.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | trans | -118 | -6.8 | -173.8 | -62.6 | 173.6 | 0 | 0 | 0 | 113.8 | E472 Y476 E479 E483 Q484 T485 Y618 P622 | E472-L481 PolarHBondContact OE2-N 3.48Å; Y476-L481 HydrophobicContact CD2-CB 3.8Å; Y476-L481 HydrophobicContact CD2-CD1 4.34Å; Y476-L481 HydrophobicContact CD2-CG 4.46Å; Y476-L481 HydrophobicContact CE2-CB 3.78Å; E479-L481 HydrophobicContact CB-CD1 4.23Å; E479-L481 HydrophobicContact CB-CG 4.28Å; E479-L481 PolarHBondContact O-N 2.98Å; L481-E483 VanDerWaalsContact C-N 3.31Å; L481-E483 PolarHBondContact O-N 3.28Å; L481-Q484 CarbonylContact O-C 3.47Å; L481-Q484 PolarHBondContact O-N 3.5Å; L481-T485 WeakPolarHBondContact O-CB 3.42Å; L481-T485 PolarHBondContact O-N 3.2Å; L481-T485 PolarHBondContact O-OG1 3.38Å; L481-Y618 HydrophobicContact CD1-CD1 4.37Å; L481-Y618 HydrophobicContact CD1-CE1 4.22Å; L481-P622 HydrophobicContact CD1-CB 4.33Å; L481-P622 HydrophobicContact CD1-CG 4.45Å; L481-P622 HydrophobicContact CD2-CG 4.4Å | ||
| 482 | A | 97.3 | Very high | 97.4 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -53.5 | -44.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N468 E472 Q484 T485 | N468-A482 HydrophobicContact CB-CB 4.01Å; E472-A482 HydrophobicContact CB-CB 4.11Å; E472-A482 WeakPolarHBondContact OE2-CB 3.43Å; E472-A482 PolarHBondContact OE2-N 2.87Å; A482-Q484 PolarHBondContact O-N 2.96Å; A482-T485 PolarHBondContact O-N 3.35Å |
| 483 | E | 97 | Very high | 97.3 | Very high | 175 Ų | 175 | 39 Ų | 39 | 82% | 0.818 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -72.9 | -16.5 | 179.8 | -63.5 | -172.2 | 163.9 | 0 | 0 | 113.7 | L481 K649 | L481-E483 VanDerWaalsContact C-N 3.31Å; L481-E483 PolarHBondContact O-N 3.28Å; E483-K649 WeakPolarHBondContact O-CE 3.14Å; E483-K649 PolarHBondContact O-NZ 3.43Å |
| 484 | Q | 97.9 | Very high | 97.2 | Very high | 98 Ų | 98 | 39.7 Ų | 39.7 | 46% | 0.458 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -100.4 | 3.5 | -178 | -61.9 | 178 | 69.5 | 0 | 0 | 112.5 | K480 L481 A482 N648 K649 | K480-Q484 PolarHBondContact O-NE2 3.25Å; L481-Q484 CarbonylContact O-C 3.47Å; L481-Q484 PolarHBondContact O-N 3.5Å; A482-Q484 PolarHBondContact O-N 2.96Å; Q484-N648 CarbonylContact O-C 3.37Å; Q484-N648 WeakPolarHBondContact O-CA 3.24Å; Q484-K649 WeakPolarHBondContact O-CG 3.32Å; Q484-K649 PolarHBondContact O-N 2.96Å |
| 485 | T | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.8 | -170.7 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | N468 L481 A482 L487 Y618 A646 V647 | N468-T485 PolarHBondContact ND2-O 3.14Å; N468-T485 VanDerWaalsContact ND2-O 3.11Å; N468-T485 WeakPolarHBondContact OD1-CB 3.34Å; N468-T485 WeakPolarHBondContact OD1-CG2 3.2Å; L481-T485 WeakPolarHBondContact O-CB 3.42Å; L481-T485 PolarHBondContact O-N 3.2Å; L481-T485 PolarHBondContact O-OG1 3.38Å; A482-T485 PolarHBondContact O-N 3.35Å; T485-L487 HydrophobicContact CG2-CD2 3.82Å; T485-Y618 HydrophobicContact CG2-CE1 4.25Å; T485-Y618 WeakPolarHBondContact CG2-OH 3.4Å; T485-Y618 PolarHBondContact OG1-OH 2.91Å; T485-A646 HydrophobicContact CG2-CB 3.68Å; T485-V647 WeakPolarHBondContact CA-O 3.43Å |
| 486 | D | 98.7 | Very high | 97.3 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.1 | 170.2 | -68.3 | -26.4 | 0 | 0 | 0 | 108.8 | E464 V647 K649 K683 I685 | E464-D486 WeakPolarHBondContact OE1-CA 3.48Å; D486-V647 HydrophobicContact CB-CG1 4.28Å; D486-V647 PolarHBondContact N-O 3.36Å; D486-V647 PolarHBondContact O-N 2.9Å; D486-K649 WeakPolarHBondContact OD1-CE 3.46Å; D486-K683 IonicContact OD2-NZ 3.21Å; D486-K683 PolarHBondContact OD2-NZ 2.97Å; D486-I685 HydrophobicContact CB-CD1 4.06Å; D486-I685 HydrophobicContact CB-CG2 4.23Å; D486-I685 WeakPolarHBondContact O-CD1 3.48Å |
| 487 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 145.3 | -175.2 | -61 | -177.1 | 0 | 0 | 0 | 114.1 | R458 I459 E464 I467 N468 L471 T485 V644 V645 A646 | R458-L487 WeakPolarHBondContact CD-O 3.32Å; R458-L487 WeakPolarHBondContact CG-O 3.35Å; R458-L487 VanDerWaalsContact NH1-N 3.14Å; R458-L487 PolarHBondContact NH1-O 3.34Å; I459-L487 HydrophobicContact CD1-CB 3.93Å; I459-L487 HydrophobicContact CD1-CD1 4.45Å; E464-L487 HydrophobicContact CG-CB 4.28Å; E464-L487 HydrophobicContact CG-CD1 4.31Å; E464-L487 HydrophobicContact CG-CG 4.34Å; E464-L487 PolarHBondContact OE1-N 2.93Å; I467-L487 HydrophobicContact CB-CD1 3.78Å; I467-L487 HydrophobicContact CG2-CD1 3.53Å; N468-L487 HydrophobicContact CB-CD1 4.21Å; L471-L487 HydrophobicContact CD1-CD1 4.42Å; L471-L487 HydrophobicContact CD1-CD2 3.84Å; T485-L487 HydrophobicContact CG2-CD2 3.82Å; L487-V644 HydrophobicContact CB-CG2 3.8Å; L487-V644 HydrophobicContact CD1-CG2 4.29Å; L487-V644 HydrophobicContact CD2-CG2 3.92Å; L487-V644 HydrophobicContact CG-CG2 4.22Å; L487-V645 CarbonylContact C-O 3.6Å; L487-V645 WeakPolarHBondContact CA-O 3.4Å; L487-A646 HydrophobicContact CD2-CB 3.34Å |
| 488 | F | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 102.3 | 169.9 | 175.7 | -151.1 | 0 | 0 | 0 | 109.6 | R458 T490 Y499 V644 V645 I685 M688 V689 | R458-F488 HydrophobicContact CG-CB 4.25Å; R458-F488 HydrophobicContact CG-CD2 4.35Å; F488-T490 HydrophobicContact CD1-CG2 4.04Å; F488-T490 HydrophobicContact CD2-CG2 4.47Å; F488-T490 HydrophobicContact CE1-CG2 3.97Å; F488-T490 HydrophobicContact CE2-CG2 4.38Å; F488-T490 HydrophobicContact CG-CG2 4.29Å; F488-T490 HydrophobicContact CZ-CG2 4.14Å; F488-Y499 AromaticContact CE1-CD2 3.72Å; F488-Y499 HydrophobicContact CE1-CD2 3.72Å; F488-Y499 HydrophobicContact CE1-CE2 4.33Å; F488-Y499 HydrophobicContact CZ-CD2 4Å; F488-Y499 HydrophobicContact CZ-CE2 4.14Å; F488-V644 WeakPolarHBondContact O-CA 3.25Å; F488-V645 HydrophobicContact CB-CB 4.47Å; F488-V645 PolarHBondContact N-O 3.34Å; F488-V645 PolarHBondContact O-N 3.23Å; F488-I685 HydrophobicContact CB-CD1 3.97Å; F488-I685 HydrophobicContact CB-CG1 3.97Å; F488-M688 HydrophobicContact CD1-CB 4.47Å; F488-M688 HydrophobicContact CD1-CG 4Å; F488-M688 HydrophobicContact CD1-SD 3.91Å; F488-M688 HydrophobicContact CE1-CG 4.01Å; F488-M688 HydrophobicContact CE1-SD 4.39Å; F488-V689 HydrophobicContact CB-CG2 4.49Å; F488-V689 HydrophobicContact CD1-CG2 3.97Å; F488-V689 HydrophobicContact CD2-CG2 3.71Å; F488-V689 HydrophobicContact CE1-CG2 4.09Å; F488-V689 HydrophobicContact CE2-CG2 3.86Å; F488-V689 HydrophobicContact CG-CG2 3.79Å; F488-V689 HydrophobicContact CZ-CB 4.43Å; F488-V689 HydrophobicContact CZ-CG2 4.05Å |
| 489 | P | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 141.9 | 170.9 | -23.2 | 35.9 | 0 | 0 | 0 | 111.3 | R458 I459 G643 L703 Q708 | R458-P489 WeakPolarHBondContact O-CD 3.48Å; I459-P489 HydrophobicContact CB-CG 4.08Å; I459-P489 HydrophobicContact CD1-CG 3.47Å; I459-P489 VanDerWaalsContact CD1-CG 3.47Å; I459-P489 HydrophobicContact CG1-CG 3.68Å; P489-G643 CarbonylContact C-O 3.49Å; P489-G643 VanDerWaalsContact CA-O 3.32Å; P489-G643 WeakPolarHBondContact CA-O 3.44Å; P489-L703 HydrophobicContact CB-CB 3.87Å; P489-L703 HydrophobicContact CB-CD2 3.55Å; P489-L703 HydrophobicContact CB-CG 4.37Å; P489-Q708 HydrophobicContact CB-CG 4.24Å; P489-Q708 HydrophobicContact CG-CG 4.33Å |
| 490 | T | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 164.3 | -171.1 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | F488 G492 A496 Y499 G643 V645 | F488-T490 HydrophobicContact CD1-CG2 4.04Å; F488-T490 HydrophobicContact CD2-CG2 4.47Å; F488-T490 HydrophobicContact CE1-CG2 3.97Å; F488-T490 HydrophobicContact CE2-CG2 4.38Å; F488-T490 HydrophobicContact CG-CG2 4.29Å; F488-T490 HydrophobicContact CZ-CG2 4.14Å; T490-G492 PolarHBondContact O-N 3.01Å; T490-G492 PolarHBondContact OG1-O 3.07Å; T490-A496 HydrophobicContact CG2-CB 4.33Å; T490-Y499 HydrophobicContact CG2-CD2 3.76Å; T490-Y499 HydrophobicContact CG2-CE2 4.03Å; T490-G643 PolarHBondContact N-O 3.29Å; T490-G643 PolarHBondContact O-N 3.47Å; T490-G643 PolarHBondContact OG1-O 3.24Å; T490-V645 HydrophobicContact CG2-CG2 4.29Å |
| 491 | E | 97.5 | Very high | 97.6 | Very high | 44 Ų | 44 | 27.1 Ų | 27.1 | 21% | 0.206 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 61.9 | 179.1 | -60.3 | 85.4 | 161.9 | 0 | 0 | 112.1 | A495 Y499 R641 R693 L703 | E491-A495 HydrophobicContact CB-CB 3.78Å; E491-Y499 PolarHBondContact OE2-OH 3.37Å; E491-Y499 VanDerWaalsContact OE2-OH 3.08Å; E491-R641 CarbonylContact C-O 3.42Å; E491-R641 VanDerWaalsContact C-O 3.26Å; E491-R641 WeakPolarHBondContact CA-O 3.5Å; E491-R641 HydrophobicContact CB-CB 4.15Å; E491-R641 PolarHBondContact O-NE 3.39Å; E491-R641 PolarHBondContact O-NH2 3.07Å; E491-R693 IonicContact OE1-CZ 3.56Å; E491-R693 IonicContact OE1-NH1 2.7Å; E491-R693 IonicContact OE1-NH2 3.1Å; E491-R693 PolarHBondContact OE1-NH2 3.46Å; E491-L703 HydrophobicContact CG-CD1 3.82Å |
| 492 | G | 96.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | 75.9 | 171.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T490 T494 A495 A496 R641 | T490-G492 PolarHBondContact O-N 3.01Å; T490-G492 PolarHBondContact OG1-O 3.07Å; G492-T494 PolarHBondContact O-N 2.93Å; G492-A495 PolarHBondContact O-N 3.18Å; G492-A496 PolarHBondContact O-N 3.39Å; G492-R641 PolarHBondContact N-O 3.22Å |
| 493 | G | 95.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 7% | 0.072 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.6 | -26.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A496 I497 | G493-A496 WeakPolarHBondContact O-CB 3.26Å; G493-A496 PolarHBondContact O-N 2.7Å; G493-I497 VanDerWaalsContact O-CG1 3.22Å; G493-I497 WeakPolarHBondContact O-CG1 3.24Å; G493-I497 PolarHBondContact O-N 3.1Å |
| 494 | T | 94.7 | Very high | 97.7 | Very high | 77 Ų | 77 | 19.1 Ų | 19.1 | 47% | 0.472 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 174.9 | -46.4 | 0 | 0 | 0 | 0 | 112.5 | G492 I497 V498 R641 | G492-T494 PolarHBondContact O-N 2.93Å; T494-I497 PolarHBondContact O-N 3.04Å; T494-V498 WeakPolarHBondContact O-CG2 3.41Å; T494-V498 PolarHBondContact O-N 3.03Å; T494-R641 PolarHBondContact OG1-NH2 3.39Å |
| 495 | A | 96.9 | Very high | 97.7 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 11% | 0.107 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.5 | -38 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | E491 G492 I497 V498 Y499 | E491-A495 HydrophobicContact CB-CB 3.78Å; G492-A495 PolarHBondContact O-N 3.18Å; A495-I497 PolarHBondContact O-N 3.26Å; A495-V498 PolarHBondContact O-N 3.19Å; A495-Y499 HydrophobicContact CB-CD2 4.46Å; A495-Y499 HydrophobicContact CB-CE2 3.89Å; A495-Y499 WeakPolarHBondContact O-CB 3.08Å; A495-Y499 WeakPolarHBondContact O-CD1 3.38Å; A495-Y499 VanDerWaalsContact O-CD2 3.32Å; A495-Y499 WeakPolarHBondContact O-CD2 3.42Å; A495-Y499 PolarHBondContact O-N 3.19Å |
| 496 | A | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -53.1 | -49.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T490 G492 G493 V498 Y499 I500 V628 V645 | T490-A496 HydrophobicContact CG2-CB 4.33Å; G492-A496 PolarHBondContact O-N 3.39Å; G493-A496 WeakPolarHBondContact O-CB 3.26Å; G493-A496 PolarHBondContact O-N 2.7Å; A496-V498 PolarHBondContact O-N 2.68Å; A496-Y499 PolarHBondContact O-N 3.09Å; A496-I500 WeakPolarHBondContact O-CB 3.46Å; A496-I500 WeakPolarHBondContact O-CD1 2.94Å; A496-I500 WeakPolarHBondContact O-CG1 3.37Å; A496-I500 PolarHBondContact O-N 3.05Å; A496-V628 HydrophobicContact CB-CG1 3.82Å; A496-V628 HydrophobicContact CB-CG2 4.28Å; A496-V645 HydrophobicContact CB-CG2 3.47Å; A496-V645 VanDerWaalsContact CB-CG2 3.47Å |
| 497 | I | 97.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.1 | -50.3 | 178.5 | -66.7 | 164 | 0 | 0 | 0 | 110.8 | G493 T494 A495 Y499 I500 F501 Y526 I529 | G493-I497 VanDerWaalsContact O-CG1 3.22Å; G493-I497 WeakPolarHBondContact O-CG1 3.24Å; G493-I497 PolarHBondContact O-N 3.1Å; T494-I497 PolarHBondContact O-N 3.04Å; A495-I497 PolarHBondContact O-N 3.26Å; I497-Y499 VanDerWaalsContact C-N 3.35Å; I497-Y499 PolarHBondContact O-N 3.31Å; I497-I500 PolarHBondContact O-N 3.25Å; I497-F501 HydrophobicContact CG2-CD2 3.79Å; I497-F501 HydrophobicContact CG2-CE2 3.91Å; I497-F501 WeakPolarHBondContact O-CD2 3.24Å; I497-F501 PolarHBondContact O-N 2.84Å; I497-Y526 HydrophobicContact CD1-CD2 4.46Å; I497-Y526 HydrophobicContact CD1-CE1 4.42Å; I497-Y526 HydrophobicContact CD1-CE2 3.67Å; I497-Y526 HydrophobicContact CG1-CE1 4.15Å; I497-Y526 HydrophobicContact CG1-CE2 4.22Å; I497-Y526 VanDerWaalsContact CG1-OH 3.29Å; I497-Y526 WeakPolarHBondContact CG1-OH 3.22Å; I497-Y526 HydrophobicContact CG2-CE1 4.38Å; I497-I529 HydrophobicContact CG2-CD1 3.48Å; I497-I529 VanDerWaalsContact CG2-CD1 3.48Å |
| 498 | V | 97.2 | Very high | 97.5 | Very high | 71 Ų | 71 | 22 Ų | 22 | 43% | 0.43 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 179.1 | 173.3 | 0 | 0 | 0 | 0 | 111 | T494 A495 A496 I500 N502 | T494-V498 WeakPolarHBondContact O-CG2 3.41Å; T494-V498 PolarHBondContact O-N 3.03Å; A495-V498 PolarHBondContact O-N 3.19Å; A496-V498 PolarHBondContact O-N 2.68Å; V498-I500 PolarHBondContact O-N 2.82Å; V498-N502 VanDerWaalsContact O-CB 3.24Å; V498-N502 WeakPolarHBondContact O-CB 3.44Å; V498-N502 PolarHBondContact O-N 3.32Å |
| 499 | Y | 97.9 | Very high | 97.5 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 11% | 0.106 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.1 | -37.4 | -179.1 | -60.1 | -18.5 | 0 | 0 | 0 | 112.2 | F488 T490 E491 A495 A496 I497 S503 R693 | F488-Y499 AromaticContact CE1-CD2 3.72Å; F488-Y499 HydrophobicContact CE1-CD2 3.72Å; F488-Y499 HydrophobicContact CE1-CE2 4.33Å; F488-Y499 HydrophobicContact CZ-CD2 4Å; F488-Y499 HydrophobicContact CZ-CE2 4.14Å; T490-Y499 HydrophobicContact CG2-CD2 3.76Å; T490-Y499 HydrophobicContact CG2-CE2 4.03Å; E491-Y499 PolarHBondContact OE2-OH 3.37Å; E491-Y499 VanDerWaalsContact OE2-OH 3.08Å; A495-Y499 HydrophobicContact CB-CD2 4.46Å; A495-Y499 HydrophobicContact CB-CE2 3.89Å; A495-Y499 WeakPolarHBondContact O-CB 3.08Å; A495-Y499 WeakPolarHBondContact O-CD1 3.38Å; A495-Y499 VanDerWaalsContact O-CD2 3.32Å; A495-Y499 WeakPolarHBondContact O-CD2 3.42Å; A495-Y499 PolarHBondContact O-N 3.19Å; A496-Y499 PolarHBondContact O-N 3.09Å; I497-Y499 VanDerWaalsContact C-N 3.35Å; I497-Y499 PolarHBondContact O-N 3.31Å; Y499-S503 WeakPolarHBondContact O-CB 3.28Å; Y499-S503 PolarHBondContact O-N 3.26Å; Y499-S503 PolarHBondContact O-OG 2.95Å; Y499-R693 PolarHBondContact OH-NH1 3.3Å |
| 500 | I | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -55.7 | 176.2 | -72.7 | 165.3 | 0 | 0 | 0 | 110.1 | A496 I497 V498 N502 S503 L504 I602 L626 V628 V645 M688 | A496-I500 WeakPolarHBondContact O-CB 3.46Å; A496-I500 WeakPolarHBondContact O-CD1 2.94Å; A496-I500 WeakPolarHBondContact O-CG1 3.37Å; A496-I500 PolarHBondContact O-N 3.05Å; I497-I500 PolarHBondContact O-N 3.25Å; V498-I500 PolarHBondContact O-N 2.82Å; I500-N502 PolarHBondContact O-N 2.92Å; I500-S503 PolarHBondContact O-N 3.26Å; I500-L504 HydrophobicContact CG2-CD1 3.81Å; I500-L504 HydrophobicContact CG2-CG 4.29Å; I500-L504 WeakPolarHBondContact O-CB 3.31Å; I500-L504 VanDerWaalsContact O-CG 3.23Å; I500-L504 WeakPolarHBondContact O-CG 3.25Å; I500-L504 PolarHBondContact O-N 3.19Å; I500-I602 HydrophobicContact CD1-CG2 4.3Å; I500-I602 HydrophobicContact CG2-CG1 3.94Å; I500-L626 HydrophobicContact CG1-CD1 4.48Å; I500-L626 HydrophobicContact CG2-CD1 4.3Å; I500-V628 HydrophobicContact CD1-CG2 3.33Å; I500-V645 HydrophobicContact CD1-CG1 4.25Å; I500-V645 HydrophobicContact CD1-CG2 4.05Å; I500-V645 HydrophobicContact CG1-CG1 4.48Å; I500-V645 HydrophobicContact CG1-CG2 4.38Å; I500-M688 HydrophobicContact CG1-CE 3.87Å; I500-M688 HydrophobicContact CG1-SD 4.1Å |
| 501 | F | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | -179.7 | -87.6 | -80 | 0 | 0 | 0 | 111.8 | I497 S503 L504 K505 I510 Y526 I529 P530 Y535 F569 | I497-F501 HydrophobicContact CG2-CD2 3.79Å; I497-F501 HydrophobicContact CG2-CE2 3.91Å; I497-F501 WeakPolarHBondContact O-CD2 3.24Å; I497-F501 PolarHBondContact O-N 2.84Å; F501-S503 PolarHBondContact O-N 3.01Å; F501-L504 PolarHBondContact O-N 3.19Å; F501-K505 PolarHBondContact O-N 3.07Å; F501-K505 VanDerWaalsContact O-N 3.12Å; F501-I510 HydrophobicContact CD1-CD1 4.38Å; F501-Y526 HydrophobicContact CE2-CD1 4.21Å; F501-Y526 HydrophobicContact CE2-CE1 4.49Å; F501-I529 HydrophobicContact CB-CG2 4.05Å; F501-I529 HydrophobicContact CD1-CG2 3.85Å; F501-I529 HydrophobicContact CD2-CB 4.41Å; F501-I529 HydrophobicContact CD2-CD1 4.34Å; F501-I529 HydrophobicContact CD2-CG2 3.72Å; F501-I529 HydrophobicContact CE1-CG2 4.19Å; F501-I529 HydrophobicContact CE2-CB 4.35Å; F501-I529 HydrophobicContact CE2-CG2 4.07Å; F501-I529 HydrophobicContact CG-CG2 3.61Å; F501-I529 HydrophobicContact CZ-CG2 4.29Å; F501-P530 HydrophobicContact CE1-CG 3.99Å; F501-P530 HydrophobicContact CZ-CG 3.95Å; F501-Y535 HydrophobicContact CB-CE1 3.92Å; F501-Y535 HydrophobicContact CB-CE2 4.48Å; F501-Y535 HydrophobicContact CD1-CD1 4.45Å; F501-Y535 HydrophobicContact CD1-CE1 4.35Å; F501-Y535 WeakPolarHBondContact O-CE1 3.47Å; F501-F569 HydrophobicContact CD1-CZ 4.32Å; F501-F569 HydrophobicContact CD2-CE1 4.4Å; F501-F569 AromaticContact CE1-CE1 3.85Å; F501-F569 HydrophobicContact CE1-CE1 3.85Å; F501-F569 HydrophobicContact CE1-CE2 4.27Å; F501-F569 AromaticContact CE1-CZ 3.61Å; F501-F569 HydrophobicContact CE1-CZ 3.61Å; F501-F569 HydrophobicContact CE2-CD1 4.19Å; F501-F569 AromaticContact CE2-CE1 3.71Å; F501-F569 HydrophobicContact CE2-CE1 3.71Å; F501-F569 HydrophobicContact CE2-CZ 4.33Å; F501-F569 AromaticContact CZ-CD1 3.9Å; F501-F569 HydrophobicContact CZ-CD1 3.9Å; F501-F569 AromaticContact CZ-CE1 3.39Å; F501-F569 HydrophobicContact CZ-CE1 3.39Å; F501-F569 HydrophobicContact CZ-CE2 4.28Å; F501-F569 AromaticContact CZ-CZ 3.62Å; F501-F569 HydrophobicContact CZ-CZ 3.62Å |
| 502 | N | 97.5 | Very high | 97.2 | Very high | 41 Ų | 41 | 32.7 Ų | 32.7 | 22% | 0.219 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 177.2 | -174.5 | 45.2 | 0 | 0 | 0 | 112.1 | V498 I500 K505 E506 Y535 | V498-N502 VanDerWaalsContact O-CB 3.24Å; V498-N502 WeakPolarHBondContact O-CB 3.44Å; V498-N502 PolarHBondContact O-N 3.32Å; I500-N502 PolarHBondContact O-N 2.92Å; N502-K505 PolarHBondContact O-N 3.01Å; N502-E506 WeakPolarHBondContact O-CB 3.47Å; N502-E506 WeakPolarHBondContact O-CG 3.36Å; N502-E506 PolarHBondContact O-N 3.04Å; N502-Y535 PolarHBondContact N-OH 3.24Å |
| 503 | S | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.2 | -35.9 | -176.9 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | Y499 I500 F501 K505 N507 M688 | Y499-S503 WeakPolarHBondContact O-CB 3.28Å; Y499-S503 PolarHBondContact O-N 3.26Å; Y499-S503 PolarHBondContact O-OG 2.95Å; I500-S503 PolarHBondContact O-N 3.26Å; F501-S503 PolarHBondContact O-N 3.01Å; S503-K505 VanDerWaalsContact C-N 3.33Å; S503-N507 WeakPolarHBondContact O-CB 3.46Å; S503-N507 PolarHBondContact O-N 2.93Å; S503-N507 PolarHBondContact O-ND2 3.31Å; S503-M688 WeakPolarHBondContact OG-CA 3.37Å; S503-M688 WeakPolarHBondContact OG-CG 3.3Å |
| 504 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 173 | -70.1 | 175.1 | 0 | 0 | 0 | 111 | I500 F501 K508 L509 I510 F569 I600 I602 F653 F684 | I500-L504 HydrophobicContact CG2-CD1 3.81Å; I500-L504 HydrophobicContact CG2-CG 4.29Å; I500-L504 WeakPolarHBondContact O-CB 3.31Å; I500-L504 VanDerWaalsContact O-CG 3.23Å; I500-L504 WeakPolarHBondContact O-CG 3.25Å; I500-L504 PolarHBondContact O-N 3.19Å; F501-L504 PolarHBondContact O-N 3.19Å; L504-K508 PolarHBondContact O-N 3.29Å; L504-L509 HydrophobicContact CD2-CB 4.05Å; L504-L509 HydrophobicContact CD2-CD1 3.87Å; L504-L509 WeakPolarHBondContact O-CB 3.36Å; L504-L509 PolarHBondContact O-N 3.33Å; L504-I510 HydrophobicContact CB-CD1 3.68Å; L504-I510 HydrophobicContact CB-CG1 3.73Å; L504-I510 HydrophobicContact CB-CG2 4.37Å; L504-I510 HydrophobicContact CD1-CD1 4.35Å; L504-I510 PolarHBondContact O-N 3.29Å; L504-F569 HydrophobicContact CD1-CZ 4.32Å; L504-I600 HydrophobicContact CD2-CD1 4.24Å; L504-I602 HydrophobicContact CD1-CD1 4.32Å; L504-F653 HydrophobicContact CD2-CD1 3.9Å; L504-F653 HydrophobicContact CD2-CE1 3.99Å; L504-F684 HydrophobicContact CD2-CE2 4.44Å; L504-F684 HydrophobicContact CD2-CZ 3.84Å; L504-F684 HydrophobicContact CG-CZ 4.34Å |
| 505 | K | 97.6 | Very high | 97.4 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.1 | -51.5 | 176.7 | 173.2 | -178.3 | 170.7 | 177.5 | 0 | 111.6 | F501 N502 S503 N507 K508 I510 D534 Y535 | F501-K505 PolarHBondContact O-N 3.07Å; F501-K505 VanDerWaalsContact O-N 3.12Å; N502-K505 PolarHBondContact O-N 3.01Å; S503-K505 VanDerWaalsContact C-N 3.33Å; K505-N507 VanDerWaalsContact C-N 3.29Å; K505-N507 PolarHBondContact O-N 2.95Å; K505-K508 PolarHBondContact O-N 3.49Å; K505-I510 HydrophobicContact CB-CG1 4.3Å; K505-D534 WeakPolarHBondContact CD-O 3.2Å; K505-D534 WeakPolarHBondContact CE-O 3.23Å; K505-D534 PolarHBondContact NZ-O 2.87Å; K505-D534 IonicContact NZ-OD1 3.76Å; K505-D534 PolarHBondContact NZ-OD1 3.44Å; K505-Y535 HydrophobicContact CB-CD1 4.4Å; K505-Y535 HydrophobicContact CB-CE1 3.97Å; K505-Y535 HydrophobicContact CD-CD1 4.06Å; K505-Y535 HydrophobicContact CD-CE1 3.79Å; K505-Y535 HydrophobicContact CG-CE1 4.49Å |
| 506 | E | 97.1 | Very high | 97.5 | Very high | 46 Ų | 46 | 33.8 Ų | 33.8 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -38.8 | -177.4 | -74.3 | -66.7 | -175.6 | 0 | 0 | 112.1 | N502 K508 L668 R671 | N502-E506 WeakPolarHBondContact O-CB 3.47Å; N502-E506 WeakPolarHBondContact O-CG 3.36Å; N502-E506 PolarHBondContact O-N 3.04Å; E506-K508 WeakPolarHBondContact O-CE 3.31Å; E506-K508 PolarHBondContact O-N 3.18Å; E506-K508 PolarHBondContact O-NZ 2.88Å; E506-L668 VanDerWaalsContact O-CD2 3.29Å; E506-L668 WeakPolarHBondContact O-CD2 3.48Å; E506-R671 VanDerWaalsContact CD-CZ 3.41Å; E506-R671 IonicContact OE1-CZ 2.71Å; E506-R671 IonicContact OE1-NH1 3.54Å; E506-R671 PolarHBondContact OE1-NH1 3.28Å; E506-R671 VanDerWaalsContact OE1-NH1 3.16Å; E506-R671 IonicContact OE1-NH2 3.7Å; E506-R671 IonicContact OE2-CZ 2.64Å; E506-R671 IonicContact OE2-NE 3.82Å; E506-R671 IonicContact OE2-NH1 3.61Å; E506-R671 PolarHBondContact OE2-NH1 3.47Å |
| 507 | N | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 10.2 | 176.1 | -68.6 | -77.9 | 0 | 0 | 0 | 114.3 | S503 K505 L509 I657 Y672 F684 R687 D691 | S503-N507 WeakPolarHBondContact O-CB 3.46Å; S503-N507 PolarHBondContact O-N 2.93Å; S503-N507 PolarHBondContact O-ND2 3.31Å; K505-N507 VanDerWaalsContact C-N 3.29Å; K505-N507 PolarHBondContact O-N 2.95Å; N507-L509 HydrophobicContact CB-CG 4.25Å; N507-L509 PolarHBondContact O-N 3.01Å; N507-I657 HydrophobicContact CB-CD1 4.03Å; N507-I657 HydrophobicContact CB-CG1 4.33Å; N507-Y672 PolarHBondContact ND2-OH 3.36Å; N507-Y672 VanDerWaalsContact ND2-OH 3.08Å; N507-Y672 PolarHBondContact OD1-OH 2.71Å; N507-F684 HydrophobicContact CB-CD2 4.42Å; N507-F684 HydrophobicContact CB-CE2 4.2Å; N507-R687 WeakPolarHBondContact OD1-CD 3.38Å; N507-D691 PolarHBondContact ND2-OD2 3.2Å |
| 508 | K | 97.4 | Very high | 97.5 | Very high | 69 Ų | 69 | 33.6 Ų | 33.6 | 30% | 0.3 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 26.6 | 174.4 | -39.7 | -54.8 | 179.4 | -160.3 | 0 | 113.7 | L504 K505 E506 L660 K664 E667 | L504-K508 PolarHBondContact O-N 3.29Å; K505-K508 PolarHBondContact O-N 3.49Å; E506-K508 WeakPolarHBondContact O-CE 3.31Å; E506-K508 PolarHBondContact O-N 3.18Å; E506-K508 PolarHBondContact O-NZ 2.88Å; K508-L660 HydrophobicContact CB-CD1 4.24Å; K508-L660 HydrophobicContact CB-CD2 4.24Å; K508-K664 HydrophobicContact CB-CD 4.2Å; K508-K664 HydrophobicContact CG-CD 4.31Å; K508-E667 WeakPolarHBondContact CE-OE2 3.46Å; K508-E667 IonicContact NZ-OE2 2.63Å |
| 509 | L | 98 | Very high | 97.6 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 8% | 0.084 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -84.4 | -30.2 | 177.1 | -63.1 | -174.8 | 0 | 0 | 0 | 111.8 | L504 N507 I600 F653 L656 I657 F684 | L504-L509 HydrophobicContact CD2-CB 4.05Å; L504-L509 HydrophobicContact CD2-CD1 3.87Å; L504-L509 WeakPolarHBondContact O-CB 3.36Å; L504-L509 PolarHBondContact O-N 3.33Å; N507-L509 HydrophobicContact CB-CG 4.25Å; N507-L509 PolarHBondContact O-N 3.01Å; L509-I600 HydrophobicContact CB-CD1 4.09Å; L509-F653 HydrophobicContact CD1-CB 3.92Å; L509-F653 HydrophobicContact CD1-CD1 3.94Å; L509-F653 HydrophobicContact CD1-CG 4.45Å; L509-L656 HydrophobicContact CD2-CB 3.47Å; L509-L656 VanDerWaalsContact CD2-CB 3.47Å; L509-L656 HydrophobicContact CD2-CD1 4.28Å; L509-I657 HydrophobicContact CD1-CG1 4.4Å; L509-I657 HydrophobicContact CD2-CG1 3.99Å; L509-I657 HydrophobicContact CG-CG1 4.37Å; L509-F684 HydrophobicContact CD1-CD2 4.12Å; L509-F684 HydrophobicContact CD1-CE2 3.83Å; L509-F684 HydrophobicContact CD1-CZ 4.38Å |
| 510 | I | 97.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -125.2 | 154.5 | 164.1 | 65.9 | -178.6 | 0 | 0 | 0 | 109 | F501 L504 K505 Y535 M537 | F501-I510 HydrophobicContact CD1-CD1 4.38Å; L504-I510 HydrophobicContact CB-CD1 3.68Å; L504-I510 HydrophobicContact CB-CG1 3.73Å; L504-I510 HydrophobicContact CB-CG2 4.37Å; L504-I510 HydrophobicContact CD1-CD1 4.35Å; L504-I510 PolarHBondContact O-N 3.29Å; K505-I510 HydrophobicContact CB-CG1 4.3Å; I510-Y535 HydrophobicContact CD1-CD1 4.4Å; I510-M537 HydrophobicContact CB-CE 4.01Å; I510-M537 HydrophobicContact CD1-CE 4.39Å; I510-M537 HydrophobicContact CG2-CE 4.4Å |
| 511 | K | 95.8 | Very high | 97.2 | Very high | 132 Ų | 132 | 29.3 Ų | 29.3 | 57% | 0.574 | 15% | 0.147 | S | C | * | . | trans | -141.3 | 167.8 | 170.7 | 55.7 | 166.1 | -175.9 | 176.1 | 0 | 109.9 | G513 D514 | K511-G513 PolarHBondContact O-N 3.12Å; K511-D514 WeakPolarHBondContact CE-OD1 3.2Å; K511-D514 VanDerWaalsContact CG-CG 3.42Å; K511-D514 WeakPolarHBondContact CG-OD1 3.05Å; K511-D514 WeakPolarHBondContact CG-OD2 3.16Å; K511-D514 PolarHBondContact N-OD2 2.94Å; K511-D514 VanDerWaalsContact O-CB 3.28Å; K511-D514 WeakPolarHBondContact O-CB 3.24Å; K511-D514 PolarHBondContact O-N 2.79Å | ||
| 512 | Q | 95.9 | Very high | 97 | Very high | 119 Ų | 119 | 29.3 Ų | 29.3 | 56% | 0.556 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 134.4 | 176.7 | -164.4 | -174.4 | -22 | 0 | 0 | 112.9 | D514 Y535 E536 | Q512-D514 PolarHBondContact O-N 3.43Å; Q512-Y535 WeakPolarHBondContact CA-O 3.43Å; Q512-Y535 WeakPolarHBondContact CG-O 3.39Å; Q512-E536 VanDerWaalsContact CD-OE2 3.3Å; Q512-E536 HydrophobicContact CG-CB 3.78Å; Q512-E536 HydrophobicContact CG-CG 4.38Å; Q512-E536 PolarHBondContact NE2-OE2 3.25Å |
| 513 | G | 94.7 | Very high | 96.6 | Very high | 43 Ų | 43 | 30.7 Ų | 30.7 | 44% | 0.443 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 2.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | K511 E536 | K511-G513 PolarHBondContact O-N 3.12Å; G513-E536 PolarHBondContact N-O 3.15Å; G513-E536 VanDerWaalsContact N-O 3.1Å |
| 514 | D | 98 | Very high | 96.2 | Very high | 23 Ų | 23 | 32 Ų | 32 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | trans | -66.1 | 149.7 | 168.8 | -79 | -17.8 | 0 | 0 | 0 | 110.4 | K511 Q512 M537 V538 K566 | K511-D514 WeakPolarHBondContact CE-OD1 3.2Å; K511-D514 VanDerWaalsContact CG-CG 3.42Å; K511-D514 WeakPolarHBondContact CG-OD1 3.05Å; K511-D514 WeakPolarHBondContact CG-OD2 3.16Å; K511-D514 PolarHBondContact N-OD2 2.94Å; K511-D514 VanDerWaalsContact O-CB 3.28Å; K511-D514 WeakPolarHBondContact O-CB 3.24Å; K511-D514 PolarHBondContact O-N 2.79Å; Q512-D514 PolarHBondContact O-N 3.43Å; D514-M537 HydrophobicContact CB-CE 3.8Å; D514-V538 PolarHBondContact O-N 3.39Å; D514-K566 HydrophobicContact CB-CG 4.06Å | ||
| 515 | K | 98.3 | Very high | 95.9 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 24% | 0.235 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 132.7 | 175.4 | -67.2 | -174.6 | -177.4 | 173.6 | 0 | 111.5 | V538 V540 D562 E564 I565 K566 | K515-V538 CarbonylContact C-O 3.55Å; K515-V538 VanDerWaalsContact CA-O 3.22Å; K515-V538 WeakPolarHBondContact CA-O 3.44Å; K515-V538 HydrophobicContact CG-CB 3.91Å; K515-V538 HydrophobicContact CG-CG1 3.91Å; K515-V540 HydrophobicContact CB-CG2 4.34Å; K515-V540 HydrophobicContact CD-CG2 4.24Å; K515-D562 IonicContact NZ-OD2 3.46Å; K515-E564 HydrophobicContact CD-CB 3.77Å; K515-E564 IonicContact NZ-OE2 3.15Å; K515-E564 PolarHBondContact NZ-OE2 3.04Å; K515-I565 HydrophobicContact CB-CG1 4.36Å; K515-K566 PolarHBondContact O-N 3.28Å |
| 516 | I | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.3 | 170 | 62.9 | 171.2 | 0 | 0 | 0 | 110 | I518 P530 M537 V538 E539 V540 A567 F569 | I516-I518 HydrophobicContact CD1-CD1 4.09Å; I516-I518 HydrophobicContact CD1-CG1 4.32Å; I516-I518 HydrophobicContact CG1-CG1 4.48Å; I516-P530 HydrophobicContact CD1-CB 3.75Å; I516-P530 HydrophobicContact CD1-CG 3.6Å; I516-M537 HydrophobicContact CD1-CB 3.93Å; I516-M537 HydrophobicContact CD1-CG 4.1Å; I516-M537 HydrophobicContact CG1-CB 3.99Å; I516-M537 HydrophobicContact CG2-CE 3.43Å; I516-M537 VanDerWaalsContact CG2-CE 3.43Å; I516-V538 PolarHBondContact N-O 3.28Å; I516-E539 HydrophobicContact CG1-CG 4.37Å; I516-E539 CarbonylContact O-C 3.54Å; I516-V540 PolarHBondContact O-N 2.73Å; I516-A567 CarbonylContact C-O 3.26Å; I516-A567 WeakPolarHBondContact CA-O 3.33Å; I516-A567 HydrophobicContact CG2-CB 4.1Å; I516-F569 HydrophobicContact CB-CD2 4.27Å; I516-F569 HydrophobicContact CB-CE2 4.07Å; I516-F569 HydrophobicContact CD1-CD2 4.12Å; I516-F569 HydrophobicContact CD1-CE2 3.95Å; I516-F569 HydrophobicContact CG2-CE2 4.02Å |
| 517 | A | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 138.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V540 L542 L560 I565 A567 F568 F569 | A517-V540 VanDerWaalsContact CA-O 3.29Å; A517-V540 WeakPolarHBondContact CA-O 3.45Å; A517-L542 HydrophobicContact CB-CD1 3.71Å; A517-L542 HydrophobicContact CB-CD2 4.49Å; A517-L560 HydrophobicContact CB-CD2 3.32Å; A517-I565 HydrophobicContact CB-CD1 4.36Å; A517-I565 HydrophobicContact CB-CG2 3.81Å; A517-A567 PolarHBondContact N-O 2.96Å; A517-F568 HydrophobicContact CB-CB 4.34Å; A517-F568 HydrophobicContact CB-CD2 3.91Å; A517-F568 CarbonylContact O-C 3.53Å; A517-F568 WeakPolarHBondContact O-CA 3.43Å; A517-F569 PolarHBondContact O-N 2.85Å |
| 518 | I | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.9 | 177 | -59.4 | 177.5 | 0 | 0 | 0 | 108 | I516 T520 I522 Y526 L527 P530 E539 V540 L542 F569 | I516-I518 HydrophobicContact CD1-CD1 4.09Å; I516-I518 HydrophobicContact CD1-CG1 4.32Å; I516-I518 HydrophobicContact CG1-CG1 4.48Å; I518-T520 HydrophobicContact CG2-CG2 3.99Å; I518-T520 PolarHBondContact O-N 2.83Å; I518-I522 HydrophobicContact CG2-CB 4.36Å; I518-I522 HydrophobicContact CG2-CD1 3.69Å; I518-I522 HydrophobicContact CG2-CG2 3.81Å; I518-Y526 WeakPolarHBondContact CD1-O 3.46Å; I518-L527 HydrophobicContact CD1-CD2 4.26Å; I518-L527 HydrophobicContact CG2-CD2 4.14Å; I518-P530 HydrophobicContact CD1-CG 4.3Å; I518-E539 HydrophobicContact CD1-CB 4.48Å; I518-E539 HydrophobicContact CD1-CG 3.83Å; I518-V540 PolarHBondContact N-O 3.26Å; I518-L542 PolarHBondContact O-N 3.16Å; I518-F569 HydrophobicContact CG1-CB 4.47Å |
| 519 | N | 97.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 108.5 | 172.2 | 172.5 | -140.8 | 0 | 0 | 0 | 110.2 | I522 L542 S544 I552 F568 F569 | N519-I522 WeakPolarHBondContact O-CB 3.35Å; N519-L542 CarbonylContact C-O 3.51Å; N519-L542 WeakPolarHBondContact CA-O 3.46Å; N519-L542 HydrophobicContact CB-CB 4.35Å; N519-L542 PolarHBondContact ND2-O 3.24Å; N519-S544 PolarHBondContact ND2-OG 3.3Å; N519-S544 VanDerWaalsContact ND2-OG 3.09Å; N519-I552 HydrophobicContact CB-CD1 4.31Å; N519-F568 HydrophobicContact CB-CE2 3.85Å; N519-F568 HydrophobicContact CB-CZ 4.08Å; N519-F569 PolarHBondContact N-O 2.88Å |
| 520 | T | 94.7 | Very high | 95.2 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 153.8 | -179.1 | 72.9 | 0 | 0 | 0 | 0 | 111.5 | I518 I522 L527 D541 L542 R543 S544 | I518-T520 HydrophobicContact CG2-CG2 3.99Å; I518-T520 PolarHBondContact O-N 2.83Å; T520-I522 HydrophobicContact CG2-CG2 4.48Å; T520-L527 HydrophobicContact CG2-CD2 4.09Å; T520-D541 WeakPolarHBondContact CB-OD1 3.45Å; T520-D541 VanDerWaalsContact CG2-OD1 3.27Å; T520-D541 WeakPolarHBondContact CG2-OD1 3.4Å; T520-D541 PolarHBondContact OG1-OD1 3.06Å; T520-L542 PolarHBondContact N-O 2.93Å; T520-R543 PolarHBondContact OG1-NE 3.4Å; T520-R543 PolarHBondContact OG1-NH1 3.3Å; T520-R543 PolarHBondContact OG1-NH2 3.46Å; T520-S544 WeakPolarHBondContact O-CB 3.45Å; T520-S544 PolarHBondContact O-N 3.28Å |
| 521 | P | 93 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | cis | -72.3 | 145.3 | -0.2 | 34.4 | -38.1 | 0 | 0 | 0 | 112.4 | W550 P576 L762 F808 | P521-W550 HydrophobicContact CG-CE3 3.92Å; P521-W550 HydrophobicContact CG-CZ3 3.93Å; P521-P576 HydrophobicContact CB-CG 4.45Å; P521-L762 HydrophobicContact CG-CD1 4.44Å; P521-F808 CarbonylContact C-O 3.48Å; P521-F808 VanDerWaalsContact CA-O 3.23Å; P521-F808 WeakPolarHBondContact CA-O 3.45Å; P521-F808 WeakPolarHBondContact CB-O 3.4Å |
| 522 | I | 93.9 | Very high | 95 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | trans | -138.2 | 159.3 | -170.4 | -160.7 | 167.7 | 0 | 0 | 0 | 112 | I518 N519 T520 T524 Y526 L527 V571 N575 F808 | I518-I522 HydrophobicContact CG2-CB 4.36Å; I518-I522 HydrophobicContact CG2-CD1 3.69Å; I518-I522 HydrophobicContact CG2-CG2 3.81Å; N519-I522 WeakPolarHBondContact O-CB 3.35Å; T520-I522 HydrophobicContact CG2-CG2 4.48Å; I522-T524 PolarHBondContact O-N 3.35Å; I522-T524 VanDerWaalsContact O-N 3.17Å; I522-Y526 HydrophobicContact CD1-CD2 4.07Å; I522-Y526 HydrophobicContact CD1-CG 3.93Å; I522-Y526 HydrophobicContact CG1-CD2 4.17Å; I522-Y526 HydrophobicContact CG1-CG 4.42Å; I522-L527 HydrophobicContact CG2-CD1 3.97Å; I522-L527 HydrophobicContact CG2-CD2 3.78Å; I522-L527 HydrophobicContact CG2-CG 3.58Å; I522-V571 HydrophobicContact CD1-CG2 3.92Å; I522-V571 HydrophobicContact CG1-CB 4.11Å; I522-V571 HydrophobicContact CG1-CG2 3.55Å; I522-N575 CarbonylContact C-O 3.05Å; I522-N575 WeakPolarHBondContact CA-O 3.11Å; I522-N575 PolarHBondContact N-O 2.84Å; I522-F808 PolarHBondContact N-O 3.07Å; I522-F808 WeakPolarHBondContact O-CA 3.34Å; I522-F808 WeakPolarHBondContact O-CB 3.43Å; I522-F808 WeakPolarHBondContact O-CD1 3.24Å | ||
| 523 | F | 90.8 | Very high | 95 | Very high | 71 Ų | 71 | 36.7 Ų | 36.7 | 31% | 0.311 | 20% | 0.195 | S | C | . | . | trans | -55.3 | 120.8 | 171.4 | -177.7 | -129.2 | 0 | 0 | 0 | 110.8 | P525 Y526 V571 N575 F808 | F523-P525 VanDerWaalsContact C-N 3.35Å; F523-P525 HydrophobicContact CD1-CG 3.97Å; F523-P525 HydrophobicContact CE1-CB 4.32Å; F523-P525 HydrophobicContact CE1-CG 3.5Å; F523-P525 VanDerWaalsContact CE1-CG 3.5Å; F523-P525 HydrophobicContact CE2-CG 4.36Å; F523-P525 HydrophobicContact CZ-CG 3.71Å; F523-P525 WeakPolarHBondContact O-CD 3.35Å; F523-Y526 HydrophobicContact CB-CD2 4.32Å; F523-Y526 HydrophobicContact CD1-CD2 4.46Å; F523-Y526 PolarHBondContact O-N 2.65Å; F523-V571 HydrophobicContact CB-CG2 4.19Å; F523-N575 PolarHBondContact N-O 2.97Å; F523-N575 VanDerWaalsContact N-O 3.09Å; F523-F808 HydrophobicContact CD2-CE1 4.42Å | ||
| 524 | T | 88.6 | Confident | 94.8 | Very high | 28 Ų | 28 | 38.6 Ų | 38.6 | 17% | 0.172 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | -39.1 | -165.7 | -48.3 | 0 | 0 | 0 | 0 | 116.6 | I522 Y526 L527 Q528 G807 F808 | I522-T524 PolarHBondContact O-N 3.35Å; I522-T524 VanDerWaalsContact O-N 3.17Å; T524-Y526 PolarHBondContact O-N 3.13Å; T524-Y526 VanDerWaalsContact O-N 3.15Å; T524-L527 WeakPolarHBondContact O-CA 3.5Å; T524-L527 WeakPolarHBondContact O-CB 3.44Å; T524-L527 PolarHBondContact O-N 2.86Å; T524-Q528 VanDerWaalsContact CG2-CD 3.48Å; T524-Q528 HydrophobicContact CG2-CG 3.86Å; T524-Q528 PolarHBondContact O-N 3.02Å; T524-G807 WeakPolarHBondContact CB-O 3.35Å; T524-G807 WeakPolarHBondContact CG2-O 3.4Å; T524-G807 PolarHBondContact OG1-O 2.65Å; T524-F808 WeakPolarHBondContact OG1-CD1 3.27Å |
| 525 | P | 91.5 | Very high | 94.7 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 22% | 0.221 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.5 | -27.9 | 177.5 | -29.7 | 39.1 | 0 | 0 | 0 | 115 | F523 L527 Q528 I529 | F523-P525 VanDerWaalsContact C-N 3.35Å; F523-P525 HydrophobicContact CD1-CG 3.97Å; F523-P525 HydrophobicContact CE1-CB 4.32Å; F523-P525 HydrophobicContact CE1-CG 3.5Å; F523-P525 VanDerWaalsContact CE1-CG 3.5Å; F523-P525 HydrophobicContact CE2-CG 4.36Å; F523-P525 HydrophobicContact CZ-CG 3.71Å; F523-P525 WeakPolarHBondContact O-CD 3.35Å; P525-L527 PolarHBondContact O-N 2.75Å; P525-Q528 PolarHBondContact O-N 2.98Å; P525-I529 HydrophobicContact CB-CD1 4.27Å; P525-I529 WeakPolarHBondContact O-CB 3.42Å; P525-I529 VanDerWaalsContact O-CG1 3.29Å; P525-I529 WeakPolarHBondContact O-CG1 3.29Å; P525-I529 PolarHBondContact O-N 3.49Å |
| 526 | Y | 94.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.9 | -19.9 | 174.6 | -74.6 | -76 | 0 | 0 | 0 | 113.3 | I497 F501 I518 I522 F523 T524 P530 F569 V571 D604 | I497-Y526 HydrophobicContact CD1-CD2 4.46Å; I497-Y526 HydrophobicContact CD1-CE1 4.42Å; I497-Y526 HydrophobicContact CD1-CE2 3.67Å; I497-Y526 HydrophobicContact CG1-CE1 4.15Å; I497-Y526 HydrophobicContact CG1-CE2 4.22Å; I497-Y526 VanDerWaalsContact CG1-OH 3.29Å; I497-Y526 WeakPolarHBondContact CG1-OH 3.22Å; I497-Y526 HydrophobicContact CG2-CE1 4.38Å; F501-Y526 HydrophobicContact CE2-CD1 4.21Å; F501-Y526 HydrophobicContact CE2-CE1 4.49Å; I518-Y526 WeakPolarHBondContact CD1-O 3.46Å; I522-Y526 HydrophobicContact CD1-CD2 4.07Å; I522-Y526 HydrophobicContact CD1-CG 3.93Å; I522-Y526 HydrophobicContact CG1-CD2 4.17Å; I522-Y526 HydrophobicContact CG1-CG 4.42Å; F523-Y526 HydrophobicContact CB-CD2 4.32Å; F523-Y526 HydrophobicContact CD1-CD2 4.46Å; F523-Y526 PolarHBondContact O-N 2.65Å; T524-Y526 PolarHBondContact O-N 3.13Å; T524-Y526 VanDerWaalsContact O-N 3.15Å; Y526-P530 WeakPolarHBondContact O-CD 3.19Å; Y526-P530 WeakPolarHBondContact O-CG 3.47Å; Y526-F569 HydrophobicContact CD1-CB 4.13Å; Y526-F569 AromaticContact CD1-CD1 3.9Å; Y526-F569 HydrophobicContact CD1-CD1 3.9Å; Y526-F569 HydrophobicContact CD1-CG 4.38Å; Y526-F569 AromaticContact CE1-CD1 3.93Å; Y526-F569 HydrophobicContact CE1-CD1 3.93Å; Y526-V571 HydrophobicContact CD2-CG2 3.69Å; Y526-V571 HydrophobicContact CE2-CG2 3.49Å; Y526-V571 VanDerWaalsContact CE2-CG2 3.49Å; Y526-D604 HydrophobicContact CE2-CB 4.29Å; Y526-D604 WeakPolarHBondContact OH-CB 3.44Å; Y526-D604 PolarHBondContact OH-OD2 3.26Å; Y526-D604 VanDerWaalsContact OH-OD2 3.12Å |
| 527 | L | 92.8 | Very high | 94.6 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 13% | 0.131 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -89.4 | -40.4 | 171.5 | -59.7 | 170.8 | 0 | 0 | 0 | 111 | I518 T520 I522 T524 P525 P530 | I518-L527 HydrophobicContact CD1-CD2 4.26Å; I518-L527 HydrophobicContact CG2-CD2 4.14Å; T520-L527 HydrophobicContact CG2-CD2 4.09Å; I522-L527 HydrophobicContact CG2-CD1 3.97Å; I522-L527 HydrophobicContact CG2-CD2 3.78Å; I522-L527 HydrophobicContact CG2-CG 3.58Å; T524-L527 WeakPolarHBondContact O-CA 3.5Å; T524-L527 WeakPolarHBondContact O-CB 3.44Å; T524-L527 PolarHBondContact O-N 2.86Å; P525-L527 PolarHBondContact O-N 2.75Å; L527-P530 WeakPolarHBondContact O-CD 3.38Å |
| 528 | Q | 94.3 | Very high | 94.5 | Very high | 107 Ų | 107 | 44.5 Ų | 44.5 | 50% | 0.5 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -77 | -39.4 | -173.4 | -68.8 | 177.6 | -41.4 | 0 | 0 | 114 | T524 P525 E531 L532 | T524-Q528 VanDerWaalsContact CG2-CD 3.48Å; T524-Q528 HydrophobicContact CG2-CG 3.86Å; T524-Q528 PolarHBondContact O-N 3.02Å; P525-Q528 PolarHBondContact O-N 2.98Å; Q528-E531 PolarHBondContact O-N 3.29Å; Q528-L532 PolarHBondContact O-N 3.42Å |
| 529 | I | 95 | Very high | 94.5 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | -178 | -68.4 | 168.7 | 0 | 0 | 0 | 111.3 | I497 F501 P525 E531 L532 Y535 | I497-I529 HydrophobicContact CG2-CD1 3.48Å; I497-I529 VanDerWaalsContact CG2-CD1 3.48Å; F501-I529 HydrophobicContact CB-CG2 4.05Å; F501-I529 HydrophobicContact CD1-CG2 3.85Å; F501-I529 HydrophobicContact CD2-CB 4.41Å; F501-I529 HydrophobicContact CD2-CD1 4.34Å; F501-I529 HydrophobicContact CD2-CG2 3.72Å; F501-I529 HydrophobicContact CE1-CG2 4.19Å; F501-I529 HydrophobicContact CE2-CB 4.35Å; F501-I529 HydrophobicContact CE2-CG2 4.07Å; F501-I529 HydrophobicContact CG-CG2 3.61Å; F501-I529 HydrophobicContact CZ-CG2 4.29Å; P525-I529 HydrophobicContact CB-CD1 4.27Å; P525-I529 WeakPolarHBondContact O-CB 3.42Å; P525-I529 VanDerWaalsContact O-CG1 3.29Å; P525-I529 WeakPolarHBondContact O-CG1 3.29Å; P525-I529 PolarHBondContact O-N 3.49Å; I529-E531 PolarHBondContact O-N 2.86Å; I529-L532 WeakPolarHBondContact O-CB 3.43Å; I529-L532 PolarHBondContact O-N 3.12Å; I529-Y535 HydrophobicContact CG2-CD2 3.89Å; I529-Y535 HydrophobicContact CG2-CE2 3.61Å; I529-Y535 WeakPolarHBondContact O-CD2 3.29Å |
| 530 | P | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.5 | -29.5 | 175.5 | -27.4 | 35.9 | 0 | 0 | 0 | 115.3 | F501 I516 I518 Y526 L527 E536 M537 E539 | F501-P530 HydrophobicContact CE1-CG 3.99Å; F501-P530 HydrophobicContact CZ-CG 3.95Å; I516-P530 HydrophobicContact CD1-CB 3.75Å; I516-P530 HydrophobicContact CD1-CG 3.6Å; I518-P530 HydrophobicContact CD1-CG 4.3Å; Y526-P530 WeakPolarHBondContact O-CD 3.19Å; Y526-P530 WeakPolarHBondContact O-CG 3.47Å; L527-P530 WeakPolarHBondContact O-CD 3.38Å; P530-E536 CarbonylContact O-C 3.59Å; P530-E536 WeakPolarHBondContact O-CA 3.4Å; P530-E536 PolarHBondContact O-N 3.25Å; P530-E536 VanDerWaalsContact O-N 3.1Å; P530-M537 HydrophobicContact CB-CB 3.88Å; P530-M537 HydrophobicContact CB-CG 3.86Å; P530-M537 PolarHBondContact O-N 2.89Å; P530-E539 HydrophobicContact CB-CG 4.33Å |
| 531 | E | 95.6 | Very high | 94.6 | Very high | 137 Ų | 137 | 51.4 Ų | 51.4 | 64% | 0.64 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -76.5 | -20.7 | 178.9 | -68.1 | -175.4 | 154.6 | 0 | 0 | 113.8 | Q528 I529 | Q528-E531 PolarHBondContact O-N 3.29Å; I529-E531 PolarHBondContact O-N 2.86Å |
| 532 | L | 95 | Very high | 94.8 | Very high | 86 Ų | 86 | 51.4 Ų | 51.4 | 45% | 0.45 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -59.5 | 148.5 | -178.3 | -62.1 | 175.2 | 0 | 0 | 0 | 111.1 | Q528 I529 D534 Y535 E536 | Q528-L532 PolarHBondContact O-N 3.42Å; I529-L532 WeakPolarHBondContact O-CB 3.43Å; I529-L532 PolarHBondContact O-N 3.12Å; L532-D534 PolarHBondContact O-N 2.88Å; L532-Y535 HydrophobicContact CB-CD2 4.27Å; L532-Y535 CarbonylContact O-C 3.54Å; L532-Y535 PolarHBondContact O-N 2.85Å; L532-E536 PolarHBondContact O-N 3.23Å |
| 533 | N | 94.3 | Very high | 94.9 | Very high | 125 Ų | 125 | 54.5 Ų | 54.5 | 67% | 0.668 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -17.2 | 177 | 65.4 | -11 | 0 | 0 | 0 | 114.2 | Y535 | N533-Y535 VanDerWaalsContact C-N 3.28Š|
| 534 | D | 91.6 | Very high | 95.1 | Very high | 83 Ų | 83 | 51.2 Ų | 51.2 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -28.8 | 170.4 | -83.6 | -56 | 0 | 0 | 0 | 113.6 | K505 L532 | K505-D534 WeakPolarHBondContact CD-O 3.2Å; K505-D534 WeakPolarHBondContact CE-O 3.23Å; K505-D534 PolarHBondContact NZ-O 2.87Å; K505-D534 IonicContact NZ-OD1 3.76Å; K505-D534 PolarHBondContact NZ-OD1 3.44Å; L532-D534 PolarHBondContact O-N 2.88Å |
| 535 | Y | 95.9 | Very high | 95.3 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 8% | 0.078 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -49 | -169.2 | -54.2 | -77.4 | 0 | 0 | 0 | 112.5 | F501 N502 K505 I510 Q512 I529 L532 N533 M537 | F501-Y535 HydrophobicContact CB-CE1 3.92Å; F501-Y535 HydrophobicContact CB-CE2 4.48Å; F501-Y535 HydrophobicContact CD1-CD1 4.45Å; F501-Y535 HydrophobicContact CD1-CE1 4.35Å; F501-Y535 WeakPolarHBondContact O-CE1 3.47Å; N502-Y535 PolarHBondContact N-OH 3.24Å; K505-Y535 HydrophobicContact CB-CD1 4.4Å; K505-Y535 HydrophobicContact CB-CE1 3.97Å; K505-Y535 HydrophobicContact CD-CD1 4.06Å; K505-Y535 HydrophobicContact CD-CE1 3.79Å; K505-Y535 HydrophobicContact CG-CE1 4.49Å; I510-Y535 HydrophobicContact CD1-CD1 4.4Å; Q512-Y535 WeakPolarHBondContact CA-O 3.43Å; Q512-Y535 WeakPolarHBondContact CG-O 3.39Å; I529-Y535 HydrophobicContact CG2-CD2 3.89Å; I529-Y535 HydrophobicContact CG2-CE2 3.61Å; I529-Y535 WeakPolarHBondContact O-CD2 3.29Å; L532-Y535 HydrophobicContact CB-CD2 4.27Å; L532-Y535 CarbonylContact O-C 3.54Å; L532-Y535 PolarHBondContact O-N 2.85Å; N533-Y535 VanDerWaalsContact C-N 3.28Å; Y535-M537 PolarHBondContact O-N 3.31Å; Y535-M537 VanDerWaalsContact O-N 3.16Å |
| 536 | E | 96.4 | Very high | 95.2 | Very high | 96 Ų | 96 | 52.5 Ų | 52.5 | 45% | 0.449 | 26% | 0.262 | S | S | . | . | trans | 36.6 | 55.4 | -175.6 | -50.5 | 178.7 | 67.5 | 0 | 0 | 112.3 | Q512 G513 P530 L532 | Q512-E536 VanDerWaalsContact CD-OE2 3.3Å; Q512-E536 HydrophobicContact CG-CB 3.78Å; Q512-E536 HydrophobicContact CG-CG 4.38Å; Q512-E536 PolarHBondContact NE2-OE2 3.25Å; G513-E536 PolarHBondContact N-O 3.15Å; G513-E536 VanDerWaalsContact N-O 3.1Å; P530-E536 CarbonylContact O-C 3.59Å; P530-E536 WeakPolarHBondContact O-CA 3.4Å; P530-E536 PolarHBondContact O-N 3.25Å; P530-E536 VanDerWaalsContact O-N 3.1Å; L532-E536 PolarHBondContact O-N 3.23Å | ||
| 537 | M | 97.5 | Very high | 95 | Very high | 16 Ų | 16 | 60.4 Ų | 60.4 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | trans | -75.8 | 153.9 | -176.3 | -50.5 | -61.2 | -67.7 | 0 | 0 | 110.7 | I510 D514 I516 P530 Y535 | I510-M537 HydrophobicContact CB-CE 4.01Å; I510-M537 HydrophobicContact CD1-CE 4.39Å; I510-M537 HydrophobicContact CG2-CE 4.4Å; D514-M537 HydrophobicContact CB-CE 3.8Å; I516-M537 HydrophobicContact CD1-CB 3.93Å; I516-M537 HydrophobicContact CD1-CG 4.1Å; I516-M537 HydrophobicContact CG1-CB 3.99Å; I516-M537 HydrophobicContact CG2-CE 3.43Å; I516-M537 VanDerWaalsContact CG2-CE 3.43Å; P530-M537 HydrophobicContact CB-CB 3.88Å; P530-M537 HydrophobicContact CB-CG 3.86Å; P530-M537 PolarHBondContact O-N 2.89Å; Y535-M537 PolarHBondContact O-N 3.31Å; Y535-M537 VanDerWaalsContact O-N 3.16Å | ||
| 538 | V | 97.4 | Very high | 95 | Very high | 70 Ų | 70 | 62.8 Ų | 62.8 | 42% | 0.424 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 106.8 | 170.5 | 179 | 0 | 0 | 0 | 0 | 108.7 | D514 K515 I516 | D514-V538 PolarHBondContact O-N 3.39Å; K515-V538 CarbonylContact C-O 3.55Å; K515-V538 VanDerWaalsContact CA-O 3.22Å; K515-V538 WeakPolarHBondContact CA-O 3.44Å; K515-V538 HydrophobicContact CG-CB 3.91Å; K515-V538 HydrophobicContact CG-CG1 3.91Å; I516-V538 PolarHBondContact N-O 3.28Å |
| 539 | E | 96.8 | Very high | 94.9 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 132.4 | -178.6 | -65.7 | 177 | -145.1 | 0 | 0 | 112.2 | I516 I518 P530 | I516-E539 HydrophobicContact CG1-CG 4.37Å; I516-E539 CarbonylContact O-C 3.54Å; I518-E539 HydrophobicContact CD1-CB 4.48Å; I518-E539 HydrophobicContact CD1-CG 3.83Å; P530-E539 HydrophobicContact CB-CG 4.33Å |
| 540 | V | 97.5 | Very high | 94.8 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 112.8 | 170.5 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | K515 I516 A517 I518 L542 I565 | K515-V540 HydrophobicContact CB-CG2 4.34Å; K515-V540 HydrophobicContact CD-CG2 4.24Å; I516-V540 PolarHBondContact O-N 2.73Å; A517-V540 VanDerWaalsContact CA-O 3.29Å; A517-V540 WeakPolarHBondContact CA-O 3.45Å; I518-V540 PolarHBondContact N-O 3.26Å; V540-L542 HydrophobicContact CG1-CD1 4.25Å; V540-L542 PolarHBondContact O-N 3Å; V540-I565 HydrophobicContact CB-CD1 4.23Å; V540-I565 HydrophobicContact CG1-CD1 4.03Å; V540-I565 HydrophobicContact CG2-CD1 4.22Å; V540-I565 HydrophobicContact CG2-CG1 4.13Å |
| 541 | D | 96.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 64.6 Ų | 64.6 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.8 | -177.9 | -177.6 | 25.9 | 0 | 0 | 0 | 112.3 | T520 R543 K559 | T520-D541 WeakPolarHBondContact CB-OD1 3.45Å; T520-D541 VanDerWaalsContact CG2-OD1 3.27Å; T520-D541 WeakPolarHBondContact CG2-OD1 3.4Å; T520-D541 PolarHBondContact OG1-OD1 3.06Å; D541-R543 IonicContact OD1-CZ 3.52Å; D541-R543 IonicContact OD1-NE 3.92Å; D541-R543 IonicContact OD1-NH2 2.66Å; D541-R543 IonicContact OD2-CZ 2.64Å; D541-R543 IonicContact OD2-NE 3.03Å; D541-R543 PolarHBondContact OD2-NE 2.82Å; D541-R543 IonicContact OD2-NH2 2.89Å; D541-R543 PolarHBondContact OD2-NH2 3.17Å; D541-K559 PolarHBondContact O-NZ 3.27Å |
| 542 | L | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 96 | 166.6 | -85.7 | 63.7 | 0 | 0 | 0 | 108.1 | A517 I518 N519 T520 V540 S544 I552 E556 L557 K559 L560 F568 | A517-L542 HydrophobicContact CB-CD1 3.71Å; A517-L542 HydrophobicContact CB-CD2 4.49Å; I518-L542 PolarHBondContact O-N 3.16Å; N519-L542 CarbonylContact C-O 3.51Å; N519-L542 WeakPolarHBondContact CA-O 3.46Å; N519-L542 HydrophobicContact CB-CB 4.35Å; N519-L542 PolarHBondContact ND2-O 3.24Å; T520-L542 PolarHBondContact N-O 2.93Å; V540-L542 HydrophobicContact CG1-CD1 4.25Å; V540-L542 PolarHBondContact O-N 3Å; L542-S544 PolarHBondContact O-N 3.19Å; L542-I552 HydrophobicContact CB-CD1 4.4Å; L542-I552 HydrophobicContact CD2-CD1 4.42Å; L542-E556 WeakPolarHBondContact CA-OE2 2.99Å; L542-E556 WeakPolarHBondContact CG-O 3.27Å; L542-L557 HydrophobicContact CD2-CD2 4.47Å; L542-K559 HydrophobicContact CD1-CB 4.15Å; L542-K559 HydrophobicContact CD1-CD 4.25Å; L542-L560 HydrophobicContact CD1-CD2 4.34Å; L542-L560 HydrophobicContact CD2-CD1 4.14Å; L542-L560 HydrophobicContact CD2-CD2 3.65Å; L542-L560 HydrophobicContact CD2-CG 3.76Å; L542-F568 HydrophobicContact CD2-CD2 4.18Å; L542-F568 HydrophobicContact CD2-CE2 3.76Å; L542-F568 HydrophobicContact CD2-CZ 4.26Å |
| 543 | R | 96.1 | Very high | 95 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 115.1 | -167.6 | -176.5 | 62 | 59.9 | 172.6 | 2.6 | 111.3 | T520 D541 E556 G809 | T520-R543 PolarHBondContact OG1-NE 3.4Å; T520-R543 PolarHBondContact OG1-NH1 3.3Å; T520-R543 PolarHBondContact OG1-NH2 3.46Å; D541-R543 IonicContact OD1-CZ 3.52Å; D541-R543 IonicContact OD1-NE 3.92Å; D541-R543 IonicContact OD1-NH2 2.66Å; D541-R543 IonicContact OD2-CZ 2.64Å; D541-R543 IonicContact OD2-NE 3.03Å; D541-R543 PolarHBondContact OD2-NE 2.82Å; D541-R543 IonicContact OD2-NH2 2.89Å; D541-R543 PolarHBondContact OD2-NH2 3.17Å; R543-E556 PolarHBondContact N-OE2 3.02Å; R543-E556 WeakPolarHBondContact O-CG 3.14Å; R543-G809 PolarHBondContact NH1-O 2.86Å |
| 544 | S | 95.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | trans | -82.3 | 130.6 | 154.4 | -69 | 0 | 0 | 0 | 0 | 108.5 | N519 T520 L542 W550 | N519-S544 PolarHBondContact ND2-OG 3.3Å; N519-S544 VanDerWaalsContact ND2-OG 3.09Å; T520-S544 WeakPolarHBondContact O-CB 3.45Å; T520-S544 PolarHBondContact O-N 3.28Å; L542-S544 PolarHBondContact O-N 3.19Å; S544-W550 VanDerWaalsContact CB-O 3.25Å; S544-W550 WeakPolarHBondContact CB-O 3.39Å; S544-W550 WeakPolarHBondContact O-CZ3 3.33Å; S544-W550 PolarHBondContact OG-O 3.37Å | ||
| 545 | D | 92.2 | Very high | 95.3 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | trans | -117.6 | 162.1 | -177 | 64.6 | 48.7 | 0 | 0 | 0 | 112.4 | E547 H548 W550 | D545-E547 VanDerWaalsContact C-N 3.31Å; D545-E547 PolarHBondContact O-N 2.88Å; D545-E547 WeakPolarHBondContact OD1-CB 3.32Å; D545-E547 PolarHBondContact OD1-N 3.48Å; D545-E547 VanDerWaalsContact OD1-N 3.15Å; D545-H548 PolarHBondContact O-N 2.87Å; D545-H548 IonicContact OD1-CE1 2.95Å; D545-H548 IonicContact OD1-CG 2.65Å; D545-H548 PolarHBondContact OD1-N 2.83Å; D545-H548 IonicContact OD1-ND1 2.92Å; D545-H548 PolarHBondContact OD1-ND1 2.8Å; D545-H548 IonicContact OD2-CE1 3.05Å; D545-H548 IonicContact OD2-ND1 3.33Å; D545-H548 PolarHBondContact OD2-ND1 3.4Å; D545-W550 VanDerWaalsContact O-CA 3.26Å; D545-W550 WeakPolarHBondContact O-CA 3.15Å; D545-W550 PolarHBondContact O-N 3.42Å | ||
| 546 | E | 90 | Very high | 95.4 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -67.1 | -30.3 | 179.7 | -167.3 | 173.7 | -157.1 | 0 | 0 | 112.7 | H548 N549 W550 N764 Q767 | E546-H548 PolarHBondContact O-N 3.05Å; E546-N549 PolarHBondContact O-N 3.21Å; E546-W550 HydrophobicContact CB-CH2 3.89Å; E546-W550 HydrophobicContact CB-CZ2 3.53Å; E546-W550 HydrophobicContact CG-CZ2 3.84Å; E546-N764 VanDerWaalsContact OE1-CB 3.22Å; E546-N764 WeakPolarHBondContact OE1-CB 3.38Å; E546-N764 PolarHBondContact OE2-ND2 3.3Å; E546-Q767 PolarHBondContact OE1-OE1 2.95Å; E546-Q767 VanDerWaalsContact OE2-CD 3.24Å; E546-Q767 PolarHBondContact OE2-NE2 3.31Å; E546-Q767 PolarHBondContact OE2-OE1 2.78Å |
| 547 | E | 90.2 | Very high | 95.4 | Very high | 168 Ų | 168 | 49 Ų | 49 | 79% | 0.785 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -61.5 | -31.2 | -179.5 | -63.3 | -173.5 | 172.2 | 0 | 0 | 111.9 | D545 | D545-E547 VanDerWaalsContact C-N 3.31Å; D545-E547 PolarHBondContact O-N 2.88Å; D545-E547 WeakPolarHBondContact OD1-CB 3.32Å; D545-E547 PolarHBondContact OD1-N 3.48Å; D545-E547 VanDerWaalsContact OD1-N 3.15Å |
| 548 | H | 92.8 | Very high | 95.4 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -102.9 | 25.8 | 174.3 | -54.5 | 89.7 | 0 | 0 | 0 | 112.6 | D545 E546 W550 E551 Q553 | D545-H548 PolarHBondContact O-N 2.87Å; D545-H548 IonicContact OD1-CE1 2.95Å; D545-H548 IonicContact OD1-CG 2.65Å; D545-H548 PolarHBondContact OD1-N 2.83Å; D545-H548 IonicContact OD1-ND1 2.92Å; D545-H548 PolarHBondContact OD1-ND1 2.8Å; D545-H548 IonicContact OD2-CE1 3.05Å; D545-H548 IonicContact OD2-ND1 3.33Å; D545-H548 PolarHBondContact OD2-ND1 3.4Å; E546-H548 PolarHBondContact O-N 3.05Å; H548-W550 PolarHBondContact O-N 3.46Å; H548-W550 VanDerWaalsContact O-N 3.13Å; H548-E551 VanDerWaalsContact O-CB 3.29Å; H548-E551 WeakPolarHBondContact O-CB 3.29Å; H548-E551 WeakPolarHBondContact O-CG 3.18Å; H548-E551 PolarHBondContact O-N 2.71Å; H548-Q553 HydrophobicContact CB-CG 4.37Å; H548-Q553 VanDerWaalsContact CB-NE2 3.31Å |
| 549 | N | 92.3 | Very high | 95.5 | Very high | 82 Ų | 82 | 52 Ų | 52 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 33.4 | -179 | -57.2 | -64.4 | 0 | 0 | 0 | 114.2 | E546 E551 M579 N751 | E546-N549 PolarHBondContact O-N 3.21Å; N549-E551 PolarHBondContact O-N 2.87Å; N549-M579 WeakPolarHBondContact O-CG 3.48Å; N549-N751 WeakPolarHBondContact CB-ND2 3.44Å |
| 550 | W | 94 | Very high | 95.5 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 11.3 | -177.1 | -45.5 | 101.6 | 0 | 0 | 0 | 115.3 | P521 S544 D545 E546 H548 M579 L762 E814 | P521-W550 HydrophobicContact CG-CE3 3.92Å; P521-W550 HydrophobicContact CG-CZ3 3.93Å; S544-W550 VanDerWaalsContact CB-O 3.25Å; S544-W550 WeakPolarHBondContact CB-O 3.39Å; S544-W550 WeakPolarHBondContact O-CZ3 3.33Å; S544-W550 PolarHBondContact OG-O 3.37Å; D545-W550 VanDerWaalsContact O-CA 3.26Å; D545-W550 WeakPolarHBondContact O-CA 3.15Å; D545-W550 PolarHBondContact O-N 3.42Å; E546-W550 HydrophobicContact CB-CH2 3.89Å; E546-W550 HydrophobicContact CB-CZ2 3.53Å; E546-W550 HydrophobicContact CG-CZ2 3.84Å; H548-W550 PolarHBondContact O-N 3.46Å; H548-W550 VanDerWaalsContact O-N 3.13Å; W550-M579 HydrophobicContact CB-CB 4.46Å; W550-M579 HydrophobicContact CB-CG 3.82Å; W550-L762 HydrophobicContact CD2-CD1 4.04Å; W550-L762 HydrophobicContact CE3-CD1 4.36Å; W550-L762 HydrophobicContact CH2-CD1 3.7Å; W550-L762 HydrophobicContact CZ2-CB 4.16Å; W550-L762 HydrophobicContact CZ2-CD1 3.32Å; W550-L762 HydrophobicContact CZ2-CG 4.4Å; W550-L762 HydrophobicContact CZ3-CD1 4.21Å; W550-E814 VanDerWaalsContact CH2-OE1 3.3Å; W550-E814 WeakPolarHBondContact CH2-OE1 3.37Å |
| 551 | E | 95.6 | Very high | 95.5 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 29% | 0.29 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 129.3 | 170.2 | -62.8 | 177.9 | -178.3 | 0 | 0 | 110 | H548 N549 Q553 M579 | H548-E551 VanDerWaalsContact O-CB 3.29Å; H548-E551 WeakPolarHBondContact O-CB 3.29Å; H548-E551 WeakPolarHBondContact O-CG 3.18Å; H548-E551 PolarHBondContact O-N 2.71Å; N549-E551 PolarHBondContact O-N 2.87Å; E551-Q553 PolarHBondContact O-N 3.08Å; E551-Q553 PolarHBondContact O-NE2 2.8Å; E551-M579 HydrophobicContact CG-CE 3.5Å; E551-M579 WeakPolarHBondContact OE1-CE 3.41Å |
| 552 | I | 97.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 132.1 | 177.2 | -164.1 | 170 | 0 | 0 | 0 | 110.1 | N519 L542 E556 L557 F581 A585 | N519-I552 HydrophobicContact CB-CD1 4.31Å; L542-I552 HydrophobicContact CB-CD1 4.4Å; L542-I552 HydrophobicContact CD2-CD1 4.42Å; I552-E556 HydrophobicContact CG1-CB 4.06Å; I552-L557 HydrophobicContact CD1-CD2 3.64Å; I552-L557 HydrophobicContact CD1-CG 3.89Å; I552-L557 HydrophobicContact CG1-CD2 4.5Å; I552-L557 HydrophobicContact CG1-CG 4.22Å; I552-L557 HydrophobicContact CG2-CD1 4.16Å; I552-L557 HydrophobicContact CG2-CG 4.43Å; I552-F581 HydrophobicContact CB-CD1 4.32Å; I552-F581 HydrophobicContact CB-CE1 3.94Å; I552-F581 HydrophobicContact CD1-CE1 4.09Å; I552-F581 HydrophobicContact CG2-CD1 3.4Å; I552-F581 VanDerWaalsContact CG2-CD1 3.4Å; I552-F581 HydrophobicContact CG2-CE1 3.42Å; I552-F581 VanDerWaalsContact CG2-CE1 3.42Å; I552-A585 HydrophobicContact CG2-CB 3.71Å |
| 553 | Q | 96.8 | Very high | 95.5 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 149.9 | 179.4 | -59.2 | -53.3 | -59.8 | 0 | 0 | 111.5 | H548 E551 S555 E556 L557 | H548-Q553 HydrophobicContact CB-CG 4.37Å; H548-Q553 VanDerWaalsContact CB-NE2 3.31Å; E551-Q553 PolarHBondContact O-N 3.08Å; E551-Q553 PolarHBondContact O-NE2 2.8Å; Q553-S555 PolarHBondContact O-N 3.02Å; Q553-E556 HydrophobicContact CB-CG 4.45Å; Q553-E556 WeakPolarHBondContact O-CB 3.41Å; Q553-E556 PolarHBondContact O-N 3.01Å; Q553-L557 PolarHBondContact O-N 2.73Å |
| 554 | A | 96.1 | Very high | 95.5 | Very high | 41 Ų | 41 | 57.3 Ų | 57.3 | 34% | 0.339 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.2 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E556 L557 D558 E588 | A554-E556 PolarHBondContact O-N 3.3Å; A554-L557 PolarHBondContact O-N 3.29Å; A554-D558 PolarHBondContact O-N 3Å; A554-E588 HydrophobicContact CB-CG 3.92Å |
| 555 | S | 96.4 | Very high | 95.6 | Very high | 77 Ų | 77 | 57.3 Ų | 57.3 | 54% | 0.538 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -27.4 | 176.3 | 53 | 0 | 0 | 0 | 0 | 113.6 | Q553 | Q553-S555 PolarHBondContact O-N 3.02Å |
| 556 | E | 97.8 | Very high | 95.9 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 16% | 0.159 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -78.5 | -43.7 | 176.2 | -65.9 | -66.8 | 119.8 | 0 | 0 | 110.2 | L542 R543 I552 Q553 A554 D558 K559 | L542-E556 WeakPolarHBondContact CA-OE2 2.99Å; L542-E556 WeakPolarHBondContact CG-O 3.27Å; R543-E556 PolarHBondContact N-OE2 3.02Å; R543-E556 WeakPolarHBondContact O-CG 3.14Å; I552-E556 HydrophobicContact CG1-CB 4.06Å; Q553-E556 HydrophobicContact CB-CG 4.45Å; Q553-E556 WeakPolarHBondContact O-CB 3.41Å; Q553-E556 PolarHBondContact O-N 3.01Å; A554-E556 PolarHBondContact O-N 3.3Å; E556-D558 PolarHBondContact O-N 3.48Å; E556-K559 VanDerWaalsContact O-CB 3.23Å; E556-K559 WeakPolarHBondContact O-CB 3.3Å; E556-K559 WeakPolarHBondContact O-CG 3.45Å; E556-K559 PolarHBondContact O-N 3.13Å; E556-K559 WeakPolarHBondContact OE1-CE 3.49Å; E556-K559 IonicContact OE1-NZ 2.86Å; E556-K559 PolarHBondContact OE1-NZ 3.41Å; E556-K559 WeakPolarHBondContact OE2-CE 3.42Å; E556-K559 IonicContact OE2-NZ 3.38Å; E556-K559 PolarHBondContact OE2-NZ 2.91Å |
| 557 | L | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -32.3 | 173.8 | -69.6 | 171.4 | 0 | 0 | 0 | 112.6 | L542 I552 Q553 A554 K559 L560 A585 E588 I589 | L542-L557 HydrophobicContact CD2-CD2 4.47Å; I552-L557 HydrophobicContact CD1-CD2 3.64Å; I552-L557 HydrophobicContact CD1-CG 3.89Å; I552-L557 HydrophobicContact CG1-CD2 4.5Å; I552-L557 HydrophobicContact CG1-CG 4.22Å; I552-L557 HydrophobicContact CG2-CD1 4.16Å; I552-L557 HydrophobicContact CG2-CG 4.43Å; Q553-L557 PolarHBondContact O-N 2.73Å; A554-L557 PolarHBondContact O-N 3.29Å; L557-K559 PolarHBondContact O-N 3.11Å; L557-L560 HydrophobicContact CD2-CD1 4.08Å; L557-L560 VanDerWaalsContact O-CB 3.22Å; L557-L560 WeakPolarHBondContact O-CB 3.5Å; L557-L560 WeakPolarHBondContact O-CG 3.32Å; L557-L560 PolarHBondContact O-N 3.46Å; L557-A585 HydrophobicContact CD1-CB 3.91Å; L557-A585 WeakPolarHBondContact CD1-O 3.5Å; L557-E588 HydrophobicContact CB-CB 4.36Å; L557-E588 HydrophobicContact CD1-CB 3.75Å; L557-I589 HydrophobicContact CD1-CG1 4.27Å; L557-I589 HydrophobicContact CD2-CD1 4.24Å; L557-I589 HydrophobicContact CD2-CG1 3.75Å |
| 558 | D | 97.1 | Very high | 96.7 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -57.9 | -27.8 | 174.1 | -88.8 | -24.8 | 0 | 0 | 0 | 113 | A554 E556 L560 K561 | A554-D558 PolarHBondContact O-N 3Å; E556-D558 PolarHBondContact O-N 3.48Å; D558-L560 PolarHBondContact O-N 3.38Å; D558-K561 VanDerWaalsContact O-CB 3.24Å; D558-K561 WeakPolarHBondContact O-CB 3.42Å; D558-K561 WeakPolarHBondContact O-CG 3.22Å; D558-K561 PolarHBondContact O-N 3.32Å; D558-K561 WeakPolarHBondContact OD1-CE 3.48Å; D558-K561 IonicContact OD1-NZ 2.99Å; D558-K561 PolarHBondContact OD1-NZ 2.73Å |
| 559 | K | 98 | Very high | 97 | Very high | 79 Ų | 79 | 46 Ų | 46 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -59.2 | -29.6 | 175.4 | -62.4 | 174.9 | 178.5 | 172.2 | 0 | 111.9 | D541 L542 E556 L557 K561 D562 I565 | D541-K559 PolarHBondContact O-NZ 3.27Å; L542-K559 HydrophobicContact CD1-CB 4.15Å; L542-K559 HydrophobicContact CD1-CD 4.25Å; E556-K559 VanDerWaalsContact O-CB 3.23Å; E556-K559 WeakPolarHBondContact O-CB 3.3Å; E556-K559 WeakPolarHBondContact O-CG 3.45Å; E556-K559 PolarHBondContact O-N 3.13Å; E556-K559 WeakPolarHBondContact OE1-CE 3.49Å; E556-K559 IonicContact OE1-NZ 2.86Å; E556-K559 PolarHBondContact OE1-NZ 3.41Å; E556-K559 WeakPolarHBondContact OE2-CE 3.42Å; E556-K559 IonicContact OE2-NZ 3.38Å; E556-K559 PolarHBondContact OE2-NZ 2.91Å; L557-K559 PolarHBondContact O-N 3.11Å; K559-K561 PolarHBondContact O-N 2.94Å; K559-K561 VanDerWaalsContact O-N 3.1Å; K559-D562 WeakPolarHBondContact O-CB 3.42Å; K559-D562 PolarHBondContact O-N 3.42Å; K559-I565 WeakPolarHBondContact O-CD1 3.43Å |
| 560 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -61.3 | -20 | 177.6 | -61.5 | 177.3 | 0 | 0 | 0 | 113.1 | A517 L542 L557 D558 D562 F568 V592 K596 L599 | A517-L560 HydrophobicContact CB-CD2 3.32Å; L542-L560 HydrophobicContact CD1-CD2 4.34Å; L542-L560 HydrophobicContact CD2-CD1 4.14Å; L542-L560 HydrophobicContact CD2-CD2 3.65Å; L542-L560 HydrophobicContact CD2-CG 3.76Å; L557-L560 HydrophobicContact CD2-CD1 4.08Å; L557-L560 VanDerWaalsContact O-CB 3.22Å; L557-L560 WeakPolarHBondContact O-CB 3.5Å; L557-L560 WeakPolarHBondContact O-CG 3.32Å; L557-L560 PolarHBondContact O-N 3.46Å; D558-L560 PolarHBondContact O-N 3.38Å; L560-D562 PolarHBondContact O-N 3.13Å; L560-F568 HydrophobicContact CD1-CD1 3.93Å; L560-F568 HydrophobicContact CD1-CE1 4.23Å; L560-F568 HydrophobicContact CD1-CG 4.12Å; L560-F568 HydrophobicContact CD2-CB 3.9Å; L560-F568 HydrophobicContact CD2-CD2 3.97Å; L560-F568 HydrophobicContact CD2-CG 3.88Å; L560-V592 HydrophobicContact CB-CB 4.46Å; L560-V592 HydrophobicContact CB-CG1 3.45Å; L560-V592 VanDerWaalsContact CB-CG1 3.45Å; L560-V592 HydrophobicContact CB-CG2 4.21Å; L560-V592 HydrophobicContact CD1-CG1 4.22Å; L560-V592 HydrophobicContact CG-CG1 4.47Å; L560-K596 WeakPolarHBondContact O-CD 3.23Å; L560-K596 PolarHBondContact O-NZ 2.82Å; L560-L599 HydrophobicContact CB-CD2 4.34Å |
| 561 | K | 96.8 | Very high | 97.5 | Very high | 67 Ų | 67 | 41 Ų | 41 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -68 | -13.7 | 175.3 | -63.5 | 175.3 | 173.3 | 161.7 | 0 | 113.1 | D558 K559 P563 V592 E595 | D558-K561 VanDerWaalsContact O-CB 3.24Å; D558-K561 WeakPolarHBondContact O-CB 3.42Å; D558-K561 WeakPolarHBondContact O-CG 3.22Å; D558-K561 PolarHBondContact O-N 3.32Å; D558-K561 WeakPolarHBondContact OD1-CE 3.48Å; D558-K561 IonicContact OD1-NZ 2.99Å; D558-K561 PolarHBondContact OD1-NZ 2.73Å; K559-K561 PolarHBondContact O-N 2.94Å; K559-K561 VanDerWaalsContact O-N 3.1Å; K561-P563 WeakPolarHBondContact O-CD 3.46Å; K561-P563 VanDerWaalsContact O-N 3.14Å; K561-V592 HydrophobicContact CG-CG2 4.14Å; K561-E595 WeakPolarHBondContact CE-OE1 3.43Å; K561-E595 IonicContact NZ-OE1 3.5Å |
| 562 | D | 97.2 | Very high | 97.6 | Very high | 50 Ų | 50 | 38 Ų | 38 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | trans | -58.2 | 115.6 | 171.4 | 178.1 | -4.5 | 0 | 0 | 0 | 109.8 | K515 K559 L560 E564 I565 K596 | K515-D562 IonicContact NZ-OD2 3.46Å; K559-D562 WeakPolarHBondContact O-CB 3.42Å; K559-D562 PolarHBondContact O-N 3.42Å; L560-D562 PolarHBondContact O-N 3.13Å; D562-E564 PolarHBondContact O-N 3.2Å; D562-E564 VanDerWaalsContact O-N 3.09Å; D562-E564 WeakPolarHBondContact OD1-CB 3.43Å; D562-E564 PolarHBondContact OD1-N 3.15Å; D562-I565 HydrophobicContact CB-CD1 3.84Å; D562-I565 HydrophobicContact CB-CG1 4.02Å; D562-I565 PolarHBondContact O-N 2.92Å; D562-I565 VanDerWaalsContact O-N 3.1Å; D562-K596 PolarHBondContact O-NZ 2.86Å | ||
| 563 | P | 96.5 | Very high | 97.6 | Very high | 100 Ų | 100 | 37.4 Ų | 37.4 | 65% | 0.649 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.2 | -177.9 | 27.6 | -36.4 | 0 | 0 | 0 | 114 | K561 | K561-P563 WeakPolarHBondContact O-CD 3.46Å; K561-P563 VanDerWaalsContact O-N 3.14Å |
| 564 | E | 97.3 | Very high | 97.6 | Very high | 115 Ų | 115 | 35 Ų | 35 | 54% | 0.537 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -25.3 | 176.4 | -61 | -169.8 | 109.1 | 0 | 0 | 112.7 | K515 D562 K566 | K515-E564 HydrophobicContact CD-CB 3.77Å; K515-E564 IonicContact NZ-OE2 3.15Å; K515-E564 PolarHBondContact NZ-OE2 3.04Å; D562-E564 PolarHBondContact O-N 3.2Å; D562-E564 VanDerWaalsContact O-N 3.09Å; D562-E564 WeakPolarHBondContact OD1-CB 3.43Å; D562-E564 PolarHBondContact OD1-N 3.15Å; E564-K566 PolarHBondContact O-N 2.89Å |
| 565 | I | 98.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 119.7 | 177.8 | -61.8 | 172.9 | 0 | 0 | 0 | 110.3 | K515 A517 V540 K559 D562 K596 L599 | K515-I565 HydrophobicContact CB-CG1 4.36Å; A517-I565 HydrophobicContact CB-CD1 4.36Å; A517-I565 HydrophobicContact CB-CG2 3.81Å; V540-I565 HydrophobicContact CB-CD1 4.23Å; V540-I565 HydrophobicContact CG1-CD1 4.03Å; V540-I565 HydrophobicContact CG2-CD1 4.22Å; V540-I565 HydrophobicContact CG2-CG1 4.13Å; K559-I565 WeakPolarHBondContact O-CD1 3.43Å; D562-I565 HydrophobicContact CB-CD1 3.84Å; D562-I565 HydrophobicContact CB-CG1 4.02Å; D562-I565 PolarHBondContact O-N 2.92Å; D562-I565 VanDerWaalsContact O-N 3.1Å; I565-K596 PolarHBondContact O-NZ 2.96Å; I565-L599 HydrophobicContact CG2-CD1 4.22Å |
| 566 | K | 97.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 29.4 Ų | 29.4 | 40% | 0.404 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -39 | -178.1 | -64 | -55.2 | -178.6 | -167.3 | 0 | 114.2 | D514 K515 E564 I600 | D514-K566 HydrophobicContact CB-CG 4.06Å; K515-K566 PolarHBondContact O-N 3.28Å; E564-K566 PolarHBondContact O-N 2.89Å; K566-I600 PolarHBondContact O-N 3.21Å; K566-I600 VanDerWaalsContact O-N 3.12Å |
| 567 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I516 A517 F569 I600 I602 | I516-A567 CarbonylContact C-O 3.26Å; I516-A567 WeakPolarHBondContact CA-O 3.33Å; I516-A567 HydrophobicContact CG2-CB 4.1Å; A517-A567 PolarHBondContact N-O 2.96Å; A567-F569 HydrophobicContact CB-CD2 4.3Å; A567-F569 HydrophobicContact CB-CE2 3.62Å; A567-F569 HydrophobicContact CB-CZ 4.24Å; A567-I600 CarbonylContact C-O 3.57Å; A567-I600 WeakPolarHBondContact CA-O 3.13Å; A567-I600 HydrophobicContact CB-CB 3.97Å; A567-I600 HydrophobicContact CB-CG2 3.92Å; A567-I602 HydrophobicContact CB-CD1 4.36Å |
| 568 | F | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.3 | 171.5 | 172.3 | -136.9 | 0 | 0 | 0 | 109.5 | A517 N519 L542 L560 A570 F581 I589 I600 I601 I602 I617 | A517-F568 HydrophobicContact CB-CB 4.34Å; A517-F568 HydrophobicContact CB-CD2 3.91Å; A517-F568 CarbonylContact O-C 3.53Å; A517-F568 WeakPolarHBondContact O-CA 3.43Å; N519-F568 HydrophobicContact CB-CE2 3.85Å; N519-F568 HydrophobicContact CB-CZ 4.08Å; L542-F568 HydrophobicContact CD2-CD2 4.18Å; L542-F568 HydrophobicContact CD2-CE2 3.76Å; L542-F568 HydrophobicContact CD2-CZ 4.26Å; L560-F568 HydrophobicContact CD1-CD1 3.93Å; L560-F568 HydrophobicContact CD1-CE1 4.23Å; L560-F568 HydrophobicContact CD1-CG 4.12Å; L560-F568 HydrophobicContact CD2-CB 3.9Å; L560-F568 HydrophobicContact CD2-CD2 3.97Å; L560-F568 HydrophobicContact CD2-CG 3.88Å; F568-A570 HydrophobicContact CE1-CB 4.11Å; F568-A570 HydrophobicContact CE2-CB 4.19Å; F568-A570 HydrophobicContact CZ-CB 3.73Å; F568-F581 HydrophobicContact CZ-CZ 4.27Å; F568-I589 HydrophobicContact CE1-CD1 4.43Å; F568-I600 PolarHBondContact N-O 3.15Å; F568-I601 HydrophobicContact CB-CG1 4.43Å; F568-I601 HydrophobicContact CD1-CG1 4.48Å; F568-I601 HydrophobicContact CD1-CG2 4.06Å; F568-I601 CarbonylContact O-C 3.58Å; F568-I601 WeakPolarHBondContact O-CA 3.45Å; F568-I602 PolarHBondContact O-N 2.98Å; F568-I617 HydrophobicContact CE1-CD1 4.39Å |
| 569 | F | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.6 | 177.4 | -64.4 | -98.6 | 0 | 0 | 0 | 109.9 | F501 L504 I516 A517 I518 N519 Y526 A567 I602 | F501-F569 HydrophobicContact CD1-CZ 4.32Å; F501-F569 HydrophobicContact CD2-CE1 4.4Å; F501-F569 AromaticContact CE1-CE1 3.85Å; F501-F569 HydrophobicContact CE1-CE1 3.85Å; F501-F569 HydrophobicContact CE1-CE2 4.27Å; F501-F569 AromaticContact CE1-CZ 3.61Å; F501-F569 HydrophobicContact CE1-CZ 3.61Å; F501-F569 HydrophobicContact CE2-CD1 4.19Å; F501-F569 AromaticContact CE2-CE1 3.71Å; F501-F569 HydrophobicContact CE2-CE1 3.71Å; F501-F569 HydrophobicContact CE2-CZ 4.33Å; F501-F569 AromaticContact CZ-CD1 3.9Å; F501-F569 HydrophobicContact CZ-CD1 3.9Å; F501-F569 AromaticContact CZ-CE1 3.39Å; F501-F569 HydrophobicContact CZ-CE1 3.39Å; F501-F569 HydrophobicContact CZ-CE2 4.28Å; F501-F569 AromaticContact CZ-CZ 3.62Å; F501-F569 HydrophobicContact CZ-CZ 3.62Å; L504-F569 HydrophobicContact CD1-CZ 4.32Å; I516-F569 HydrophobicContact CB-CD2 4.27Å; I516-F569 HydrophobicContact CB-CE2 4.07Å; I516-F569 HydrophobicContact CD1-CD2 4.12Å; I516-F569 HydrophobicContact CD1-CE2 3.95Å; I516-F569 HydrophobicContact CG2-CE2 4.02Å; A517-F569 PolarHBondContact O-N 2.85Å; I518-F569 HydrophobicContact CG1-CB 4.47Å; N519-F569 PolarHBondContact N-O 2.88Å; Y526-F569 HydrophobicContact CD1-CB 4.13Å; Y526-F569 AromaticContact CD1-CD1 3.9Å; Y526-F569 HydrophobicContact CD1-CD1 3.9Å; Y526-F569 HydrophobicContact CD1-CG 4.38Å; Y526-F569 AromaticContact CE1-CD1 3.93Å; Y526-F569 HydrophobicContact CE1-CD1 3.93Å; A567-F569 HydrophobicContact CB-CD2 4.3Å; A567-F569 HydrophobicContact CB-CE2 3.62Å; A567-F569 HydrophobicContact CB-CZ 4.24Å; F569-I602 HydrophobicContact CD1-CB 3.7Å; F569-I602 HydrophobicContact CD1-CD1 3.83Å; F569-I602 HydrophobicContact CD1-CG1 3.87Å; F569-I602 HydrophobicContact CD1-CG2 4.16Å; F569-I602 HydrophobicContact CD2-CD1 4.48Å; F569-I602 HydrophobicContact CE1-CB 4.04Å; F569-I602 HydrophobicContact CE1-CD1 3.47Å; F569-I602 VanDerWaalsContact CE1-CD1 3.47Å; F569-I602 HydrophobicContact CE1-CG1 3.65Å; F569-I602 HydrophobicContact CE2-CD1 4.17Å; F569-I602 HydrophobicContact CG-CB 4.42Å; F569-I602 HydrophobicContact CG-CD1 4.33Å; F569-I602 HydrophobicContact CZ-CD1 3.66Å; F569-I602 HydrophobicContact CZ-CG1 4.33Å |
| 570 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 146 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F568 F581 I602 T603 D604 I617 | F568-A570 HydrophobicContact CE1-CB 4.11Å; F568-A570 HydrophobicContact CE2-CB 4.19Å; F568-A570 HydrophobicContact CZ-CB 3.73Å; A570-F581 HydrophobicContact CB-CE2 3.86Å; A570-F581 HydrophobicContact CB-CZ 3.97Å; A570-I602 PolarHBondContact N-O 3.33Å; A570-T603 CarbonylContact O-C 3.43Å; A570-T603 WeakPolarHBondContact O-CA 3.47Å; A570-D604 PolarHBondContact O-N 2.72Å; A570-I617 HydrophobicContact CB-CD1 4.32Å |
| 571 | V | 98.2 | Very high | 96.8 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.5 | 163.2 | 178.6 | 0 | 0 | 0 | 0 | 105.8 | I522 F523 Y526 P573 S574 N575 D604 Y607 | I522-V571 HydrophobicContact CD1-CG2 3.92Å; I522-V571 HydrophobicContact CG1-CB 4.11Å; I522-V571 HydrophobicContact CG1-CG2 3.55Å; F523-V571 HydrophobicContact CB-CG2 4.19Å; Y526-V571 HydrophobicContact CD2-CG2 3.69Å; Y526-V571 HydrophobicContact CE2-CG2 3.49Å; Y526-V571 VanDerWaalsContact CE2-CG2 3.49Å; V571-P573 CarbonylContact C-O 3.48Å; V571-P573 WeakPolarHBondContact CG1-O 3.37Å; V571-P573 CarbonylContact O-C 3.51Å; V571-S574 WeakPolarHBondContact O-CA 3.37Å; V571-S574 PolarHBondContact O-N 2.92Å; V571-N575 HydrophobicContact CG1-CB 4.33Å; V571-D604 CarbonylContact C-O 3.49Å; V571-D604 WeakPolarHBondContact CA-O 3.25Å; V571-D604 HydrophobicContact CB-CB 4.5Å; V571-D604 HydrophobicContact CG2-CB 4.09Å; V571-Y607 HydrophobicContact CG1-CD2 4.39Å; V571-Y607 HydrophobicContact CG1-CE2 4.3Å |
| 572 | N | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -138.5 | 107.4 | -169.1 | 175 | 34 | 0 | 0 | 0 | 110.7 | A580 F581 D604 D605 F614 | N572-A580 WeakPolarHBondContact OD1-CA 3.22Å; N572-F581 HydrophobicContact CB-CD2 4.04Å; N572-F581 HydrophobicContact CB-CE2 4.05Å; N572-F581 PolarHBondContact OD1-N 2.93Å; N572-D604 PolarHBondContact N-O 3.31Å; N572-D605 VanDerWaalsContact O-CA 3.26Å; N572-D605 WeakPolarHBondContact O-CA 3.28Å; N572-F614 WeakPolarHBondContact ND2-CZ 3.2Å; N572-F614 WeakPolarHBondContact O-CZ 3.31Å |
| 573 | P | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | cis | -59.2 | 146.9 | -0.8 | -21.4 | 27.9 | 0 | 0 | 0 | 114.7 | V571 M579 A580 Y607 V611 F614 | V571-P573 CarbonylContact C-O 3.48Å; V571-P573 WeakPolarHBondContact CG1-O 3.37Å; V571-P573 CarbonylContact O-C 3.51Å; P573-M579 CarbonylContact C-O 3.5Å; P573-M579 VanDerWaalsContact CA-O 3.27Å; P573-M579 WeakPolarHBondContact CA-O 3.32Å; P573-A580 HydrophobicContact CB-CB 4.47Å; P573-A580 HydrophobicContact CG-CB 4.12Å; P573-Y607 VanDerWaalsContact CD-C 3.46Å; P573-V611 HydrophobicContact CG-CG2 3.58Å; P573-F614 HydrophobicContact CG-CE2 4.34Å |
| 574 | S | 95.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.028 | 12% | 0.115 | C | C | . | . | trans | -61.2 | 152 | -178.2 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | V571 G577 A578 M579 | V571-S574 WeakPolarHBondContact O-CA 3.37Å; V571-S574 PolarHBondContact O-N 2.92Å; S574-G577 WeakPolarHBondContact OG-CA 3.25Å; S574-A578 WeakPolarHBondContact O-CA 3.37Å; S574-A578 PolarHBondContact O-N 2.95Å; S574-A578 PolarHBondContact OG-N 3.31Å; S574-M579 PolarHBondContact N-O 2.94Å; S574-M579 PolarHBondContact OG-N 3.18Å | ||
| 575 | N | 93.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | 121.8 | 172.3 | 169.2 | 21 | 0 | 0 | 0 | 108.1 | I522 F523 V571 Y607 Y760 R816 | I522-N575 CarbonylContact C-O 3.05Å; I522-N575 WeakPolarHBondContact CA-O 3.11Å; I522-N575 PolarHBondContact N-O 2.84Å; F523-N575 PolarHBondContact N-O 2.97Å; F523-N575 VanDerWaalsContact N-O 3.09Å; V571-N575 HydrophobicContact CG1-CB 4.33Å; N575-Y607 HydrophobicContact CB-CE2 3.86Å; N575-Y760 HydrophobicContact CB-CD2 4.45Å; N575-Y760 HydrophobicContact CB-CE2 4.39Å; N575-R816 PolarHBondContact ND2-NH2 3.16Å; N575-R816 PolarHBondContact OD1-NE 3.12Å; N575-R816 PolarHBondContact OD1-NH2 2.98Å |
| 576 | P | 91.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.2 | -1.6 | 6.4 | 30 | -36.4 | 0 | 0 | 0 | 117.5 | P521 A578 Y760 L762 F808 R816 | P521-P576 HydrophobicContact CB-CG 4.45Å; P576-A578 PolarHBondContact O-N 2.59Å; P576-A578 VanDerWaalsContact O-N 3.1Å; P576-Y760 WeakPolarHBondContact O-CB 3.49Å; P576-L762 HydrophobicContact CB-CD1 4.41Å; P576-L762 HydrophobicContact CB-CD2 3.78Å; P576-L762 HydrophobicContact CB-CG 4Å; P576-L762 HydrophobicContact CG-CD1 3.97Å; P576-L762 HydrophobicContact CG-CD2 3.59Å; P576-L762 HydrophobicContact CG-CG 3.98Å; P576-F808 VanDerWaalsContact CD-CB 3.41Å; P576-F808 HydrophobicContact CG-CB 3.94Å; P576-F808 HydrophobicContact CG-CD2 4.47Å; P576-F808 HydrophobicContact CG-CG 4.09Å; P576-R816 HydrophobicContact CB-CG 3.8Å |
| 577 | G | 92.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 7% | 0.072 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S574 M579 | S574-G577 WeakPolarHBondContact OG-CA 3.25Å; G577-M579 PolarHBondContact O-N 2.79Å; G577-M579 VanDerWaalsContact O-N 3.15Å |
| 578 | A | 95.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | trans | 62.7 | 11.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S574 P576 N756 S757 Y760 | S574-A578 WeakPolarHBondContact O-CA 3.37Å; S574-A578 PolarHBondContact O-N 2.95Å; S574-A578 PolarHBondContact OG-N 3.31Å; P576-A578 PolarHBondContact O-N 2.59Å; P576-A578 VanDerWaalsContact O-N 3.1Å; A578-N756 PolarHBondContact O-OD1 3.36Å; A578-S757 WeakPolarHBondContact CB-OG 3.33Å; A578-S757 PolarHBondContact O-N 3.33Å; A578-S757 PolarHBondContact O-OG 2.94Å; A578-Y760 VanDerWaalsContact CB-O 3.25Å; A578-Y760 WeakPolarHBondContact CB-O 3.4Å | ||
| 579 | M | 97.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.03 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 128 | -174.6 | -68 | -52.3 | -70.6 | 0 | 0 | 113 | N549 W550 E551 P573 S574 G577 N751 E755 N756 | N549-M579 WeakPolarHBondContact O-CG 3.48Å; W550-M579 HydrophobicContact CB-CB 4.46Å; W550-M579 HydrophobicContact CB-CG 3.82Å; E551-M579 HydrophobicContact CG-CE 3.5Å; E551-M579 WeakPolarHBondContact OE1-CE 3.41Å; P573-M579 CarbonylContact C-O 3.5Å; P573-M579 VanDerWaalsContact CA-O 3.27Å; P573-M579 WeakPolarHBondContact CA-O 3.32Å; S574-M579 PolarHBondContact N-O 2.94Å; S574-M579 PolarHBondContact OG-N 3.18Å; G577-M579 PolarHBondContact O-N 2.79Å; G577-M579 VanDerWaalsContact O-N 3.15Å; M579-N751 PolarHBondContact SD-ND2 3.48Å; M579-E755 HydrophobicContact CE-CB 3.86Å; M579-N756 HydrophobicContact CE-CB 4.42Å; M579-N756 HydrophobicContact SD-CB 3.59Å; M579-N756 VanDerWaalsContact SD-CB 3.59Å |
| 580 | A | 98.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 6% | 0.058 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 155.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N572 P573 D582 V611 F614 E755 | N572-A580 WeakPolarHBondContact OD1-CA 3.22Å; P573-A580 HydrophobicContact CB-CB 4.47Å; P573-A580 HydrophobicContact CG-CB 4.12Å; A580-D582 PolarHBondContact O-N 3.19Å; A580-V611 HydrophobicContact CB-CG1 4.15Å; A580-V611 HydrophobicContact CB-CG2 4.13Å; A580-F614 HydrophobicContact CB-CD2 4.03Å; A580-F614 HydrophobicContact CB-CE2 4.01Å; A580-E755 HydrophobicContact CB-CB 4.15Å; A580-E755 HydrophobicContact CB-CG 4.49Å; A580-E755 WeakPolarHBondContact CB-O 2.89Å; A580-E755 PolarHBondContact N-O 3.49Å |
| 581 | F | 98.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 26.8 Ų | 26.8 | 4% | 0.039 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 125.5 | 164.3 | -63.1 | -39.9 | 0 | 0 | 0 | 110.6 | I552 F568 A570 N572 A585 L586 I589 I617 | I552-F581 HydrophobicContact CB-CD1 4.32Å; I552-F581 HydrophobicContact CB-CE1 3.94Å; I552-F581 HydrophobicContact CD1-CE1 4.09Å; I552-F581 HydrophobicContact CG2-CD1 3.4Å; I552-F581 VanDerWaalsContact CG2-CD1 3.4Å; I552-F581 HydrophobicContact CG2-CE1 3.42Å; I552-F581 VanDerWaalsContact CG2-CE1 3.42Å; F568-F581 HydrophobicContact CZ-CZ 4.27Å; A570-F581 HydrophobicContact CB-CE2 3.86Å; A570-F581 HydrophobicContact CB-CZ 3.97Å; N572-F581 HydrophobicContact CB-CD2 4.04Å; N572-F581 HydrophobicContact CB-CE2 4.05Å; N572-F581 PolarHBondContact OD1-N 2.93Å; F581-A585 HydrophobicContact CB-CB 4.05Å; F581-A585 HydrophobicContact CD1-CB 4.22Å; F581-A585 HydrophobicContact CG-CB 4.4Å; F581-L586 HydrophobicContact CB-CD2 4.12Å; F581-L586 HydrophobicContact CB-CG 4.2Å; F581-I589 HydrophobicContact CD2-CD1 4.23Å; F581-I589 HydrophobicContact CE2-CD1 4.42Å; F581-I617 HydrophobicContact CD2-CD1 3.66Å; F581-I617 HydrophobicContact CD2-CG1 3.76Å; F581-I617 HydrophobicContact CE2-CD1 3.43Å; F581-I617 VanDerWaalsContact CE2-CD1 3.43Å; F581-I617 HydrophobicContact CE2-CG1 4.09Å |
| 582 | D | 96.7 | Very high | 96.9 | Very high | 43 Ų | 43 | 26.7 Ų | 26.7 | 23% | 0.23 | 14% | 0.136 | C | C | . | . | trans | -78.4 | 176.4 | 174.1 | 81.9 | -33 | 0 | 0 | 0 | 111.2 | A580 T584 A585 L586 E755 | A580-D582 PolarHBondContact O-N 3.19Å; D582-T584 PolarHBondContact O-N 2.99Å; D582-T584 WeakPolarHBondContact OD1-CB 3.23Å; D582-T584 PolarHBondContact OD1-N 3.38Å; D582-T584 WeakPolarHBondContact OD2-CB 3.33Å; D582-T584 PolarHBondContact OD2-N 3.04Å; D582-T584 PolarHBondContact OD2-OG1 3.35Å; D582-A585 PolarHBondContact O-N 3.02Å; D582-A585 VanDerWaalsContact OD1-CB 3.26Å; D582-A585 WeakPolarHBondContact OD1-CB 3.49Å; D582-A585 PolarHBondContact OD1-N 3.42Å; D582-L586 WeakPolarHBondContact O-CB 3.21Å; D582-L586 VanDerWaalsContact O-CG 3.29Å; D582-L586 WeakPolarHBondContact O-CG 3.29Å; D582-L586 PolarHBondContact O-N 2.94Å; D582-E755 HydrophobicContact CB-CG 4.01Å | ||
| 583 | D | 97 | Very high | 96.9 | Very high | 82 Ų | 82 | 27.3 Ų | 27.3 | 44% | 0.439 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.7 | -28.9 | 179.7 | -71 | -25.2 | 0 | 0 | 0 | 112.8 | R477 E587 | R477-D583 IonicContact CZ-OD1 3.93Å; R477-D583 IonicContact NH1-OD1 3.3Å; R477-D583 PolarHBondContact NH1-OD1 3.28Å; R477-D583 IonicContact NH1-OD2 2.56Å; R477-D583 PolarHBondContact NH1-OD2 3.2Å; R477-D583 IonicContact NH2-OD1 3.96Å; D583-E587 WeakPolarHBondContact O-CB 3.45Å; D583-E587 PolarHBondContact O-N 2.94Å |
| 584 | T | 97 | Very high | 96.9 | Very high | 86 Ų | 86 | 31.3 Ų | 31.3 | 53% | 0.528 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.8 | -52.5 | 176.6 | -44.7 | 0 | 0 | 0 | 0 | 110.5 | D582 L586 E587 E588 | D582-T584 PolarHBondContact O-N 2.99Å; D582-T584 WeakPolarHBondContact OD1-CB 3.23Å; D582-T584 PolarHBondContact OD1-N 3.38Å; D582-T584 WeakPolarHBondContact OD2-CB 3.33Å; D582-T584 PolarHBondContact OD2-N 3.04Å; D582-T584 PolarHBondContact OD2-OG1 3.35Å; T584-L586 VanDerWaalsContact C-N 3.33Å; T584-L586 PolarHBondContact O-N 3.3Å; T584-E587 PolarHBondContact O-N 3.13Å; T584-E588 WeakPolarHBondContact O-CG 3.46Å; T584-E588 PolarHBondContact O-N 2.64Å |
| 585 | A | 98 | Very high | 97 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I552 L557 F581 D582 E587 E588 I589 | I552-A585 HydrophobicContact CG2-CB 3.71Å; L557-A585 HydrophobicContact CD1-CB 3.91Å; L557-A585 WeakPolarHBondContact CD1-O 3.5Å; F581-A585 HydrophobicContact CB-CB 4.05Å; F581-A585 HydrophobicContact CD1-CB 4.22Å; F581-A585 HydrophobicContact CG-CB 4.4Å; D582-A585 PolarHBondContact O-N 3.02Å; D582-A585 VanDerWaalsContact OD1-CB 3.26Å; D582-A585 WeakPolarHBondContact OD1-CB 3.49Å; D582-A585 PolarHBondContact OD1-N 3.42Å; A585-E587 PolarHBondContact O-N 3.42Å; A585-E588 PolarHBondContact O-N 3.04Å; A585-I589 WeakPolarHBondContact O-CG1 3.19Å; A585-I589 PolarHBondContact O-N 3.41Å |
| 586 | L | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 176.7 | -71.5 | 177.3 | 0 | 0 | 0 | 112.6 | F581 D582 T584 I589 K590 K615 I617 V620 | F581-L586 HydrophobicContact CB-CD2 4.12Å; F581-L586 HydrophobicContact CB-CG 4.2Å; D582-L586 WeakPolarHBondContact O-CB 3.21Å; D582-L586 VanDerWaalsContact O-CG 3.29Å; D582-L586 WeakPolarHBondContact O-CG 3.29Å; D582-L586 PolarHBondContact O-N 2.94Å; T584-L586 VanDerWaalsContact C-N 3.33Å; T584-L586 PolarHBondContact O-N 3.3Å; L586-I589 PolarHBondContact O-N 2.86Å; L586-K590 PolarHBondContact O-N 2.92Å; L586-K590 VanDerWaalsContact O-N 3.09Å; L586-K615 HydrophobicContact CD1-CB 3.89Å; L586-K615 HydrophobicContact CD1-CD 4.1Å; L586-K615 HydrophobicContact CD1-CG 3.97Å; L586-I617 HydrophobicContact CD2-CG1 4.09Å; L586-V620 HydrophobicContact CB-CG2 4.19Å; L586-V620 HydrophobicContact CD1-CG2 4.23Å; L586-V620 HydrophobicContact CD2-CG2 4.17Å; L586-V620 HydrophobicContact CG-CG2 4.44Å |
| 587 | E | 98.2 | Very high | 97.4 | Very high | 86 Ų | 86 | 42 Ų | 42 | 40% | 0.402 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.3 | -34.7 | 175.7 | -174.4 | 59 | -152.3 | 0 | 0 | 112 | D583 T584 A585 K590 K591 | D583-E587 WeakPolarHBondContact O-CB 3.45Å; D583-E587 PolarHBondContact O-N 2.94Å; T584-E587 PolarHBondContact O-N 3.13Å; A585-E587 PolarHBondContact O-N 3.42Å; E587-K590 WeakPolarHBondContact O-CB 3.5Å; E587-K590 PolarHBondContact O-N 3.33Å; E587-K590 IonicContact OE2-NZ 3.99Å; E587-K591 WeakPolarHBondContact O-CG 3.44Å; E587-K591 PolarHBondContact O-N 3.48Å |
| 588 | E | 98.2 | Very high | 97.7 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 172.3 | -68.1 | -49.8 | 136.2 | 0 | 0 | 112.2 | A554 L557 T584 A585 K590 K591 V592 | A554-E588 HydrophobicContact CB-CG 3.92Å; L557-E588 HydrophobicContact CB-CB 4.36Å; L557-E588 HydrophobicContact CD1-CB 3.75Å; T584-E588 WeakPolarHBondContact O-CG 3.46Å; T584-E588 PolarHBondContact O-N 2.64Å; A585-E588 PolarHBondContact O-N 3.04Å; E588-K590 VanDerWaalsContact C-N 3.25Å; E588-K590 PolarHBondContact O-N 2.8Å; E588-K591 WeakPolarHBondContact O-CB 3.44Å; E588-K591 PolarHBondContact O-N 2.92Å; E588-K591 VanDerWaalsContact O-N 3.13Å; E588-K591 IonicContact OE1-NZ 2.71Å; E588-K591 PolarHBondContact OE1-NZ 3.44Å; E588-K591 WeakPolarHBondContact OE2-CD 3.04Å; E588-K591 IonicContact OE2-NZ 3.83Å; E588-V592 WeakPolarHBondContact O-CG2 3.42Å; E588-V592 PolarHBondContact O-N 2.81Å |
| 589 | I | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.5 | -41.9 | 173.1 | -70.3 | 166.8 | 0 | 0 | 0 | 110.6 | L557 F568 F581 A585 L586 K591 V592 V593 I601 I617 V621 | L557-I589 HydrophobicContact CD1-CG1 4.27Å; L557-I589 HydrophobicContact CD2-CD1 4.24Å; L557-I589 HydrophobicContact CD2-CG1 3.75Å; F568-I589 HydrophobicContact CE1-CD1 4.43Å; F581-I589 HydrophobicContact CD2-CD1 4.23Å; F581-I589 HydrophobicContact CE2-CD1 4.42Å; A585-I589 WeakPolarHBondContact O-CG1 3.19Å; A585-I589 PolarHBondContact O-N 3.41Å; L586-I589 PolarHBondContact O-N 2.86Å; I589-K591 PolarHBondContact O-N 3.47Å; I589-V592 WeakPolarHBondContact O-CB 3.43Å; I589-V592 PolarHBondContact O-N 3.45Å; I589-V593 WeakPolarHBondContact O-CG2 3.2Å; I589-V593 PolarHBondContact O-N 3.47Å; I589-I601 HydrophobicContact CG2-CD1 3.99Å; I589-I617 HydrophobicContact CD1-CD1 4.08Å; I589-I617 HydrophobicContact CD1-CG1 4.06Å; I589-I617 HydrophobicContact CD1-CG2 4.49Å; I589-I617 HydrophobicContact CG2-CG2 3.99Å; I589-V621 HydrophobicContact CG2-CG2 3.98Å |
| 590 | K | 98 | Very high | 97.9 | Very high | 100 Ų | 100 | 45.5 Ų | 45.5 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.1 | -41 | 177.1 | -168.6 | -176.4 | -179.5 | -177.8 | 0 | 112.5 | L586 E587 E588 V593 A594 V620 V621 | L586-K590 PolarHBondContact O-N 2.92Å; L586-K590 VanDerWaalsContact O-N 3.09Å; E587-K590 WeakPolarHBondContact O-CB 3.5Å; E587-K590 PolarHBondContact O-N 3.33Å; E587-K590 IonicContact OE2-NZ 3.99Å; E588-K590 VanDerWaalsContact C-N 3.25Å; E588-K590 PolarHBondContact O-N 2.8Å; K590-V593 PolarHBondContact O-N 3.43Å; K590-A594 PolarHBondContact O-N 3.02Å; K590-V620 HydrophobicContact CB-CG1 3.95Å; K590-V620 HydrophobicContact CD-CG1 4.07Å; K590-V620 HydrophobicContact CG-CG1 4.21Å; K590-V621 HydrophobicContact CB-CG1 4.39Å; K590-V621 HydrophobicContact CG-CG1 4.3Å |
| 591 | K | 98.2 | Very high | 97.9 | Very high | 87 Ų | 87 | 45.2 Ų | 45.2 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64 | -44.6 | 174.7 | -68.8 | 169.3 | -171.2 | 166.7 | 0 | 111.6 | E587 E588 I589 V593 A594 E595 | E587-K591 WeakPolarHBondContact O-CG 3.44Å; E587-K591 PolarHBondContact O-N 3.48Å; E588-K591 WeakPolarHBondContact O-CB 3.44Å; E588-K591 PolarHBondContact O-N 2.92Å; E588-K591 VanDerWaalsContact O-N 3.13Å; E588-K591 IonicContact OE1-NZ 2.71Å; E588-K591 PolarHBondContact OE1-NZ 3.44Å; E588-K591 WeakPolarHBondContact OE2-CD 3.04Å; E588-K591 IonicContact OE2-NZ 3.83Å; I589-K591 PolarHBondContact O-N 3.47Å; K591-V593 VanDerWaalsContact C-N 3.33Å; K591-V593 PolarHBondContact O-N 3.31Å; K591-A594 WeakPolarHBondContact O-CB 3.45Å; K591-A594 PolarHBondContact O-N 2.79Å; K591-E595 PolarHBondContact O-N 3.22Å; K591-E595 VanDerWaalsContact O-N 3.15Å |
| 592 | V | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.1 | -48.5 | 174.6 | 167.8 | 0 | 0 | 0 | 0 | 110.7 | L560 K561 E588 I589 A594 E595 K596 L599 | L560-V592 HydrophobicContact CB-CB 4.46Å; L560-V592 HydrophobicContact CB-CG1 3.45Å; L560-V592 VanDerWaalsContact CB-CG1 3.45Å; L560-V592 HydrophobicContact CB-CG2 4.21Å; L560-V592 HydrophobicContact CD1-CG1 4.22Å; L560-V592 HydrophobicContact CG-CG1 4.47Å; K561-V592 HydrophobicContact CG-CG2 4.14Å; E588-V592 WeakPolarHBondContact O-CG2 3.42Å; E588-V592 PolarHBondContact O-N 2.81Å; I589-V592 WeakPolarHBondContact O-CB 3.43Å; I589-V592 PolarHBondContact O-N 3.45Å; V592-A594 VanDerWaalsContact C-N 3.31Å; V592-A594 PolarHBondContact O-N 2.95Å; V592-E595 PolarHBondContact O-N 2.65Å; V592-E595 VanDerWaalsContact O-N 3.15Å; V592-K596 PolarHBondContact O-N 3.08Å; V592-L599 HydrophobicContact CG1-CD2 3.78Å |
| 593 | V | 98.1 | Very high | 98.1 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -33.9 | 179.6 | 168.1 | 0 | 0 | 0 | 0 | 112 | I589 K590 K591 E595 K596 P597 I601 V621 N624 | I589-V593 WeakPolarHBondContact O-CG2 3.2Å; I589-V593 PolarHBondContact O-N 3.47Å; K590-V593 PolarHBondContact O-N 3.43Å; K591-V593 VanDerWaalsContact C-N 3.33Å; K591-V593 PolarHBondContact O-N 3.31Å; V593-E595 VanDerWaalsContact C-N 3.28Å; V593-E595 PolarHBondContact O-N 3.1Å; V593-K596 CarbonylContact O-C 3.52Å; V593-K596 PolarHBondContact O-N 3.28Å; V593-P597 VanDerWaalsContact O-CA 3.25Å; V593-P597 WeakPolarHBondContact O-CA 3.37Å; V593-I601 HydrophobicContact CG2-CD1 3.74Å; V593-V621 HydrophobicContact CB-CG1 3.95Å; V593-V621 HydrophobicContact CG1-CB 4.39Å; V593-V621 HydrophobicContact CG1-CG1 3.96Å; V593-V621 HydrophobicContact CG2-CB 4.29Å; V593-V621 HydrophobicContact CG2-CG1 4.02Å; V593-V621 HydrophobicContact CG2-CG2 4.33Å; V593-N624 HydrophobicContact CG1-CB 4.38Å; V593-N624 WeakPolarHBondContact CG1-OD1 3.43Å; V593-N624 HydrophobicContact CG2-CB 4.4Å |
| 594 | A | 97.6 | Very high | 98.1 | Very high | 84 Ų | 84 | 39.2 Ų | 39.2 | 69% | 0.694 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.3 | -34.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | K590 K591 V592 | K590-A594 PolarHBondContact O-N 3.02Å; K591-A594 WeakPolarHBondContact O-CB 3.45Å; K591-A594 PolarHBondContact O-N 2.79Å; V592-A594 VanDerWaalsContact C-N 3.31Å; V592-A594 PolarHBondContact O-N 2.95Å |
| 595 | E | 97.6 | Very high | 98.2 | Very high | 125 Ų | 125 | 35.1 Ų | 35.1 | 58% | 0.584 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -81.6 | -32.3 | 174.8 | -67 | -179.3 | -142.9 | 0 | 0 | 112.6 | K561 K591 V592 V593 P597 | K561-E595 WeakPolarHBondContact CE-OE1 3.43Å; K561-E595 IonicContact NZ-OE1 3.5Å; K591-E595 PolarHBondContact O-N 3.22Å; K591-E595 VanDerWaalsContact O-N 3.15Å; V592-E595 PolarHBondContact O-N 2.65Å; V592-E595 VanDerWaalsContact O-N 3.15Å; V593-E595 VanDerWaalsContact C-N 3.28Å; V593-E595 PolarHBondContact O-N 3.1Å; E595-P597 WeakPolarHBondContact O-CD 3.47Å |
| 596 | K | 97.1 | Very high | 98.2 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | trans | -123.9 | 75.4 | 179.3 | -70.4 | -174.2 | 64 | -169.4 | 0 | 111.3 | L560 D562 I565 V592 V593 E598 L599 | L560-K596 WeakPolarHBondContact O-CD 3.23Å; L560-K596 PolarHBondContact O-NZ 2.82Å; D562-K596 PolarHBondContact O-NZ 2.86Å; I565-K596 PolarHBondContact O-NZ 2.96Å; V592-K596 PolarHBondContact O-N 3.08Å; V593-K596 CarbonylContact O-C 3.52Å; V593-K596 PolarHBondContact O-N 3.28Å; K596-E598 PolarHBondContact O-N 3.4Å; K596-L599 HydrophobicContact CB-CB 4.18Å; K596-L599 WeakPolarHBondContact O-CB 3.39Å; K596-L599 PolarHBondContact O-N 3.18Å | ||
| 597 | P | 97.5 | Very high | 98.2 | Very high | 76 Ų | 76 | 35.8 Ų | 35.8 | 49% | 0.494 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -12.6 | -176.3 | 26.1 | -36.1 | 0 | 0 | 0 | 114 | V593 E595 N624 | V593-P597 VanDerWaalsContact O-CA 3.25Å; V593-P597 WeakPolarHBondContact O-CA 3.37Å; E595-P597 WeakPolarHBondContact O-CD 3.47Å; P597-N624 PolarHBondContact O-ND2 3.16Å |
| 598 | E | 97.9 | Very high | 98.1 | Very high | 84 Ų | 84 | 31.7 Ų | 31.7 | 39% | 0.393 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 2.7 | 178.6 | -68.6 | -175.1 | 168.5 | 0 | 0 | 113.7 | K596 I600 H655 L656 K659 | K596-E598 PolarHBondContact O-N 3.4Å; E598-I600 PolarHBondContact O-N 2.99Å; E598-H655 IonicContact OE1-NE2 2.83Å; E598-L656 HydrophobicContact CB-CD2 4.11Å; E598-L656 HydrophobicContact CG-CD2 4.03Å; E598-K659 IonicContact OE1-NZ 3.99Å; E598-K659 PolarHBondContact OE1-NZ 3.05Å |
| 599 | L | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | trans | -64.3 | 127.2 | 175.9 | 179.6 | 64.4 | 0 | 0 | 0 | 109.8 | L560 I565 V592 K596 I601 N624 | L560-L599 HydrophobicContact CB-CD2 4.34Å; I565-L599 HydrophobicContact CG2-CD1 4.22Å; V592-L599 HydrophobicContact CG1-CD2 3.78Å; K596-L599 HydrophobicContact CB-CB 4.18Å; K596-L599 WeakPolarHBondContact O-CB 3.39Å; K596-L599 PolarHBondContact O-N 3.18Å; L599-I601 HydrophobicContact CD2-CD1 4.46Å; L599-I601 HydrophobicContact CD2-CG1 4.32Å; L599-I601 HydrophobicContact CG-CG1 4.23Å; L599-N624 WeakPolarHBondContact O-CB 3.42Å; L599-N624 PolarHBondContact O-ND2 2.92Å | ||
| 600 | I | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 134.6 | 172.4 | -69.8 | 170.3 | 0 | 0 | 0 | 108.7 | L504 L509 K566 A567 F568 E598 I602 V652 F653 L656 | L504-I600 HydrophobicContact CD2-CD1 4.24Å; L509-I600 HydrophobicContact CB-CD1 4.09Å; K566-I600 PolarHBondContact O-N 3.21Å; K566-I600 VanDerWaalsContact O-N 3.12Å; A567-I600 CarbonylContact C-O 3.57Å; A567-I600 WeakPolarHBondContact CA-O 3.13Å; A567-I600 HydrophobicContact CB-CB 3.97Å; A567-I600 HydrophobicContact CB-CG2 3.92Å; F568-I600 PolarHBondContact N-O 3.15Å; E598-I600 PolarHBondContact O-N 2.99Å; I600-I602 HydrophobicContact CG2-CD1 3.54Å; I600-V652 HydrophobicContact CG1-CG1 4.2Å; I600-F653 HydrophobicContact CB-CE1 4.25Å; I600-F653 HydrophobicContact CD1-CD1 4.37Å; I600-F653 HydrophobicContact CD1-CE1 4.32Å; I600-F653 HydrophobicContact CG1-CD1 4.33Å; I600-F653 HydrophobicContact CG1-CE1 3.99Å; I600-F653 HydrophobicContact CG2-CD1 4.48Å; I600-F653 HydrophobicContact CG2-CE1 3.47Å; I600-F653 VanDerWaalsContact CG2-CE1 3.47Å; I600-F653 HydrophobicContact CG2-CZ 4.02Å; I600-L656 HydrophobicContact CD1-CD1 3.87Å; I600-L656 HydrophobicContact CG1-CD1 3.99Å |
| 601 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.6 | 176.4 | -57.2 | 176.6 | 0 | 0 | 0 | 109.3 | F568 I589 V593 L599 I617 V621 N624 T625 L626 | F568-I601 HydrophobicContact CB-CG1 4.43Å; F568-I601 HydrophobicContact CD1-CG1 4.48Å; F568-I601 HydrophobicContact CD1-CG2 4.06Å; F568-I601 CarbonylContact O-C 3.58Å; F568-I601 WeakPolarHBondContact O-CA 3.45Å; I589-I601 HydrophobicContact CG2-CD1 3.99Å; V593-I601 HydrophobicContact CG2-CD1 3.74Å; L599-I601 HydrophobicContact CD2-CD1 4.46Å; L599-I601 HydrophobicContact CD2-CG1 4.32Å; L599-I601 HydrophobicContact CG-CG1 4.23Å; I601-I617 HydrophobicContact CD1-CG2 4.42Å; I601-I617 HydrophobicContact CG2-CD1 4.37Å; I601-I617 HydrophobicContact CG2-CG2 4.05Å; I601-V621 HydrophobicContact CD1-CG2 4.03Å; I601-N624 HydrophobicContact CD1-CB 4.33Å; I601-N624 HydrophobicContact CG1-CB 4.49Å; I601-N624 PolarHBondContact N-O 3.18Å; I601-T625 HydrophobicContact CB-CG2 4.36Å; I601-T625 HydrophobicContact CG2-CG2 4.1Å; I601-T625 CarbonylContact O-C 3.59Å; I601-T625 VanDerWaalsContact O-CA 3.31Å; I601-T625 WeakPolarHBondContact O-CA 3.47Å; I601-L626 PolarHBondContact O-N 3.35Å |
| 602 | I | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 119.8 | 171.5 | -59.5 | 77.6 | 0 | 0 | 0 | 106.6 | I500 L504 A567 F568 F569 A570 I600 L626 V628 | I500-I602 HydrophobicContact CD1-CG2 4.3Å; I500-I602 HydrophobicContact CG2-CG1 3.94Å; L504-I602 HydrophobicContact CD1-CD1 4.32Å; A567-I602 HydrophobicContact CB-CD1 4.36Å; F568-I602 PolarHBondContact O-N 2.98Å; F569-I602 HydrophobicContact CD1-CB 3.7Å; F569-I602 HydrophobicContact CD1-CD1 3.83Å; F569-I602 HydrophobicContact CD1-CG1 3.87Å; F569-I602 HydrophobicContact CD1-CG2 4.16Å; F569-I602 HydrophobicContact CD2-CD1 4.48Å; F569-I602 HydrophobicContact CE1-CB 4.04Å; F569-I602 HydrophobicContact CE1-CD1 3.47Å; F569-I602 VanDerWaalsContact CE1-CD1 3.47Å; F569-I602 HydrophobicContact CE1-CG1 3.65Å; F569-I602 HydrophobicContact CE2-CD1 4.17Å; F569-I602 HydrophobicContact CG-CB 4.42Å; F569-I602 HydrophobicContact CG-CD1 4.33Å; F569-I602 HydrophobicContact CZ-CD1 3.66Å; F569-I602 HydrophobicContact CZ-CG1 4.33Å; A570-I602 PolarHBondContact N-O 3.33Å; I600-I602 HydrophobicContact CG2-CD1 3.54Å; I602-L626 WeakPolarHBondContact CA-O 3.45Å; I602-L626 HydrophobicContact CG1-CB 4.49Å; I602-V628 HydrophobicContact CG2-CG2 4.29Å |
| 603 | T | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.6 | 176.4 | -164.5 | 0 | 0 | 0 | 0 | 109.7 | A570 D605 I617 T625 L626 L627 V628 | A570-T603 CarbonylContact O-C 3.43Å; A570-T603 WeakPolarHBondContact O-CA 3.47Å; T603-D605 PolarHBondContact OG1-OD1 3.08Å; T603-I617 HydrophobicContact CG2-CB 4.31Å; T603-T625 HydrophobicContact CG2-CG2 3.67Å; T603-L626 PolarHBondContact N-O 2.97Å; T603-L627 HydrophobicContact CG2-CB 4.25Å; T603-L627 HydrophobicContact CG2-CD1 3.83Å; T603-V628 PolarHBondContact O-N 3.14Å |
| 604 | D | 98.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 107.5 | 173.8 | -173.1 | -22.5 | 0 | 0 | 0 | 110.2 | Y526 A570 V571 N572 V606 V628 | Y526-D604 HydrophobicContact CE2-CB 4.29Å; Y526-D604 WeakPolarHBondContact OH-CB 3.44Å; Y526-D604 PolarHBondContact OH-OD2 3.26Å; Y526-D604 VanDerWaalsContact OH-OD2 3.12Å; A570-D604 PolarHBondContact O-N 2.72Å; V571-D604 CarbonylContact C-O 3.49Å; V571-D604 WeakPolarHBondContact CA-O 3.25Å; V571-D604 HydrophobicContact CB-CB 4.5Å; V571-D604 HydrophobicContact CG2-CB 4.09Å; N572-D604 PolarHBondContact N-O 3.31Å; D604-V606 WeakPolarHBondContact OD1-CB 3.47Å; D604-V606 WeakPolarHBondContact OD1-CG1 3.46Å; D604-V606 PolarHBondContact OD1-N 2.77Å; D604-V628 WeakPolarHBondContact CA-O 3.47Å; D604-V628 HydrophobicContact CB-CB 4.22Å |
| 605 | D | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -107.6 | 29.9 | -169.1 | -62.2 | 0.1 | 0 | 0 | 0 | 112.5 | L475 N572 T603 Y607 G608 F614 T616 L627 V628 | L475-D605 HydrophobicContact CD1-CB 4.47Å; N572-D605 VanDerWaalsContact O-CA 3.26Å; N572-D605 WeakPolarHBondContact O-CA 3.28Å; T603-D605 PolarHBondContact OG1-OD1 3.08Å; D605-Y607 PolarHBondContact O-N 3.42Å; D605-G608 PolarHBondContact O-N 3.46Å; D605-F614 HydrophobicContact CB-CE1 3.95Å; D605-F614 HydrophobicContact CB-CZ 3.99Å; D605-T616 WeakPolarHBondContact OD2-CA 3.12Å; D605-T616 WeakPolarHBondContact OD2-CB 3.5Å; D605-T616 PolarHBondContact OD2-OG1 2.89Å; D605-L627 HydrophobicContact CB-CD1 3.85Å; D605-L627 WeakPolarHBondContact OD2-CD1 3.19Å; D605-V628 PolarHBondContact N-O 3.24Å | ||
| 606 | V | 97.7 | Very high | 97.4 | Very high | 11 Ų | 11 | 24.4 Ų | 24.4 | 7% | 0.067 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -26.9 | -179.9 | 63.2 | 0 | 0 | 0 | 0 | 114 | D604 K633 | D604-V606 WeakPolarHBondContact OD1-CB 3.47Å; D604-V606 WeakPolarHBondContact OD1-CG1 3.46Å; D604-V606 PolarHBondContact OD1-N 2.77Å; V606-K633 HydrophobicContact CG2-CB 4.08Å; V606-K633 HydrophobicContact CG2-CG 3.52Å |
| 607 | Y | 97.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -2 | 177.7 | -51.6 | -70.7 | 0 | 0 | 0 | 113.9 | V571 P573 N575 D605 T609 F610 K633 Y759 Y760 | V571-Y607 HydrophobicContact CG1-CD2 4.39Å; V571-Y607 HydrophobicContact CG1-CE2 4.3Å; P573-Y607 VanDerWaalsContact CD-C 3.46Å; N575-Y607 HydrophobicContact CB-CE2 3.86Å; D605-Y607 PolarHBondContact O-N 3.42Å; Y607-T609 PolarHBondContact O-N 2.89Å; Y607-T609 VanDerWaalsContact O-N 3.09Å; Y607-F610 WeakPolarHBondContact O-CB 3.3Å; Y607-F610 PolarHBondContact O-N 3.25Å; Y607-K633 HydrophobicContact CD1-CB 4.43Å; Y607-K633 HydrophobicContact CD1-CG 4.29Å; Y607-K633 HydrophobicContact CE1-CB 4.25Å; Y607-K633 HydrophobicContact CE1-CD 4.1Å; Y607-K633 HydrophobicContact CE1-CG 3.68Å; Y607-Y759 AromaticContact CD1-CD1 3.87Å; Y607-Y759 HydrophobicContact CD1-CD1 3.87Å; Y607-Y759 HydrophobicContact CD1-CD2 4.04Å; Y607-Y759 HydrophobicContact CD1-CE1 4.32Å; Y607-Y759 HydrophobicContact CD1-CE2 4.48Å; Y607-Y759 AromaticContact CD1-CG 3.72Å; Y607-Y759 HydrophobicContact CD1-CG 3.72Å; Y607-Y759 AromaticContact CE1-CD1 3.54Å; Y607-Y759 HydrophobicContact CE1-CD1 3.54Å; Y607-Y759 HydrophobicContact CE1-CD2 4.4Å; Y607-Y759 AromaticContact CE1-CE1 3.72Å; Y607-Y759 HydrophobicContact CE1-CE1 3.72Å; Y607-Y759 AromaticContact CE1-CG 3.9Å; Y607-Y759 HydrophobicContact CE1-CG 3.9Å; Y607-Y760 AromaticContact CE1-CE2 3.73Å; Y607-Y760 HydrophobicContact CE1-CE2 3.73Å; Y607-Y760 HydrophobicContact CE2-CE2 4.19Å; Y607-Y760 AromaticContact CZ-CE2 3.51Å; Y607-Y760 WeakPolarHBondContact OH-CE2 3.48Å; Y607-Y760 PolarHBondContact OH-OH 3.44Å |
| 608 | G | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -56.4 | -33.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D605 F610 V611 F614 | D605-G608 PolarHBondContact O-N 3.46Å; G608-F610 PolarHBondContact O-N 3.46Å; G608-F610 VanDerWaalsContact O-N 3.13Å; G608-V611 PolarHBondContact O-N 3.2Å; G608-V611 VanDerWaalsContact O-N 3.11Å; G608-F614 WeakPolarHBondContact O-CB 3.37Å; G608-F614 WeakPolarHBondContact O-CG 3.49Å |
| 609 | T | 96.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 15.9 Ų | 15.9 | 5% | 0.049 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -69 | -9 | 178.2 | 57 | 0 | 0 | 0 | 0 | 114.7 | L475 Y607 Y629 L634 K732 | L475-T609 HydrophobicContact CD2-CG2 4.37Å; Y607-T609 PolarHBondContact O-N 2.89Å; Y607-T609 VanDerWaalsContact O-N 3.09Å; T609-Y629 HydrophobicContact CG2-CE2 4.24Å; T609-L634 HydrophobicContact CG2-CD2 3.86Å; T609-K732 WeakPolarHBondContact O-CE 3.29Å |
| 610 | F | 97 | Very high | 97.5 | Very high | 9 Ų | 9 | 17.2 Ų | 17.2 | 4% | 0.039 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -92.9 | -4 | 174.5 | -67.8 | -84.6 | 0 | 0 | 0 | 113.2 | W365 Y607 G608 K633 L634 K732 V735 Y759 | W365-F610 AromaticContact CZ2-CE1 3.97Å; W365-F610 HydrophobicContact CZ2-CE1 3.97Å; W365-F610 AromaticContact CZ2-CZ 3.88Å; W365-F610 HydrophobicContact CZ2-CZ 3.88Å; Y607-F610 WeakPolarHBondContact O-CB 3.3Å; Y607-F610 PolarHBondContact O-N 3.25Å; G608-F610 PolarHBondContact O-N 3.46Å; G608-F610 VanDerWaalsContact O-N 3.13Å; F610-K633 HydrophobicContact CE2-CB 4.3Å; F610-L634 HydrophobicContact CE2-CB 4.42Å; F610-L634 HydrophobicContact CZ-CD1 4.27Å; F610-K732 HydrophobicContact CD1-CG 4.42Å; F610-K732 VanDerWaalsContact O-CE 3.27Å; F610-K732 WeakPolarHBondContact O-CE 3.44Å; F610-V735 HydrophobicContact CD1-CG2 4.02Å; F610-V735 HydrophobicContact CE1-CG1 4.35Å; F610-Y759 HydrophobicContact CD1-CD2 4.16Å; F610-Y759 AromaticContact CD2-CD2 3.83Å; F610-Y759 HydrophobicContact CD2-CD2 3.83Å; F610-Y759 HydrophobicContact CD2-CE2 4.29Å; F610-Y759 AromaticContact CE1-CD2 3.99Å; F610-Y759 HydrophobicContact CE1-CD2 3.99Å; F610-Y759 HydrophobicContact CE1-CE2 4.1Å; F610-Y759 AromaticContact CE2-CD2 3.66Å; F610-Y759 HydrophobicContact CE2-CD2 3.66Å; F610-Y759 AromaticContact CE2-CE2 3.64Å; F610-Y759 HydrophobicContact CE2-CE2 3.64Å; F610-Y759 HydrophobicContact CG-CD2 4.09Å; F610-Y759 AromaticContact CZ-CD2 3.75Å; F610-Y759 HydrophobicContact CZ-CD2 3.75Å; F610-Y759 AromaticContact CZ-CE2 3.54Å; F610-Y759 HydrophobicContact CZ-CE2 3.54Å |
| 611 | V | 97 | Very high | 97.5 | Very high | 9 Ų | 9 | 17.7 Ų | 17.7 | 6% | 0.055 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -102.5 | 140 | 176.6 | 170.2 | 0 | 0 | 0 | 0 | 110 | P573 A580 G608 F614 K732 E755 | P573-V611 HydrophobicContact CG-CG2 3.58Å; A580-V611 HydrophobicContact CB-CG1 4.15Å; A580-V611 HydrophobicContact CB-CG2 4.13Å; G608-V611 PolarHBondContact O-N 3.2Å; G608-V611 VanDerWaalsContact O-N 3.11Å; V611-F614 HydrophobicContact CB-CB 4.04Å; V611-F614 HydrophobicContact CB-CD2 4.08Å; V611-F614 HydrophobicContact CB-CG 4.48Å; V611-F614 HydrophobicContact CG1-CB 4.14Å; V611-F614 HydrophobicContact CG1-CD2 4.2Å; V611-K732 VanDerWaalsContact C-NZ 3.34Å; V611-K732 PolarHBondContact O-NZ 2.78Å; V611-E755 WeakPolarHBondContact CG2-O 3.48Å |
| 612 | D | 92.1 | Very high | 97.5 | Very high | 90 Ų | 90 | 19 Ų | 19 | 48% | 0.481 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 133.1 | 174.5 | -75.2 | -22.8 | 0 | 0 | 0 | 109.9 | F614 K732 | D612-F614 PolarHBondContact O-N 2.88Å; D612-K732 IonicContact OD1-NZ 2.63Å; D612-K732 PolarHBondContact OD1-NZ 2.71Å |
| 613 | E | 92.6 | Very high | 97.5 | Very high | 135 Ų | 135 | 22.7 Ų | 22.7 | 63% | 0.631 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 40.5 | -175.3 | -52.9 | -174.7 | 141.5 | 0 | 0 | 112.4 | R477 K615 | R477-E613 PolarHBondContact NE-O 2.97Å; R477-E613 PolarHBondContact NH2-O 2.65Å; E613-K615 PolarHBondContact O-N 2.9Å |
| 614 | F | 97.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 23 Ų | 23 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | trans | -56.1 | 142 | 179 | -179.8 | -103.8 | 0 | 0 | 0 | 112.6 | L475 N572 P573 A580 D605 G608 V611 D612 | L475-F614 HydrophobicContact CB-CD1 4.35Å; L475-F614 HydrophobicContact CB-CE1 4.41Å; L475-F614 HydrophobicContact CD2-CD1 3.76Å; L475-F614 HydrophobicContact CD2-CE1 3.91Å; N572-F614 WeakPolarHBondContact ND2-CZ 3.2Å; N572-F614 WeakPolarHBondContact O-CZ 3.31Å; P573-F614 HydrophobicContact CG-CE2 4.34Å; A580-F614 HydrophobicContact CB-CD2 4.03Å; A580-F614 HydrophobicContact CB-CE2 4.01Å; D605-F614 HydrophobicContact CB-CE1 3.95Å; D605-F614 HydrophobicContact CB-CZ 3.99Å; G608-F614 WeakPolarHBondContact O-CB 3.37Å; G608-F614 WeakPolarHBondContact O-CG 3.49Å; V611-F614 HydrophobicContact CB-CB 4.04Å; V611-F614 HydrophobicContact CB-CD2 4.08Å; V611-F614 HydrophobicContact CB-CG 4.48Å; V611-F614 HydrophobicContact CG1-CB 4.14Å; V611-F614 HydrophobicContact CG1-CD2 4.2Å; D612-F614 PolarHBondContact O-N 2.88Å | ||
| 615 | K | 98.2 | Very high | 97.5 | Very high | 32 Ų | 32 | 22.6 Ų | 22.6 | 14% | 0.139 | 11% | 0.113 | C | C | . | . | trans | -131.7 | 115.3 | 174.7 | -169.6 | 168.4 | -167 | 169.8 | 0 | 110.4 | L475 R477 E479 L586 E613 S619 V620 | L475-K615 WeakPolarHBondContact O-CA 3.26Å; R477-K615 HydrophobicContact CB-CB 3.91Å; R477-K615 HydrophobicContact CB-CD 4.07Å; R477-K615 HydrophobicContact CB-CG 3.96Å; E479-K615 IonicContact OE1-NZ 3.81Å; E479-K615 PolarHBondContact OE1-NZ 2.92Å; L586-K615 HydrophobicContact CD1-CB 3.89Å; L586-K615 HydrophobicContact CD1-CD 4.1Å; L586-K615 HydrophobicContact CD1-CG 3.97Å; E613-K615 PolarHBondContact O-N 2.9Å; K615-S619 WeakPolarHBondContact CE-OG 3.31Å; K615-S619 WeakPolarHBondContact CG-OG 3.37Å; K615-V620 HydrophobicContact CD-CG2 4.23Å; K615-V620 HydrophobicContact CG-CG2 4.47Å | ||
| 616 | T | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -67.9 | 148.7 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | L475 Y476 D605 Y618 S619 | L475-T616 HydrophobicContact CB-CG2 4.23Å; L475-T616 WeakPolarHBondContact O-CG2 3Å; L475-T616 PolarHBondContact O-N 3.46Å; Y476-T616 HydrophobicContact CD1-CG2 3.51Å; Y476-T616 HydrophobicContact CE1-CG2 3.91Å; D605-T616 WeakPolarHBondContact OD2-CA 3.12Å; D605-T616 WeakPolarHBondContact OD2-CB 3.5Å; D605-T616 PolarHBondContact OD2-OG1 2.89Å; T616-Y618 PolarHBondContact O-N 2.89Å; T616-Y618 PolarHBondContact OG1-N 3.05Å; T616-S619 WeakPolarHBondContact O-CB 3.2Å; T616-S619 PolarHBondContact O-N 3.43Å; T616-S619 PolarHBondContact O-OG 3.23Å | ||
| 617 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.4 | -36 | 169.3 | -58.5 | 168.8 | 0 | 0 | 0 | 110.7 | F568 A570 F581 L586 I589 I601 T603 S619 V620 V621 T625 | F568-I617 HydrophobicContact CE1-CD1 4.39Å; A570-I617 HydrophobicContact CB-CD1 4.32Å; F581-I617 HydrophobicContact CD2-CD1 3.66Å; F581-I617 HydrophobicContact CD2-CG1 3.76Å; F581-I617 HydrophobicContact CE2-CD1 3.43Å; F581-I617 VanDerWaalsContact CE2-CD1 3.43Å; F581-I617 HydrophobicContact CE2-CG1 4.09Å; L586-I617 HydrophobicContact CD2-CG1 4.09Å; I589-I617 HydrophobicContact CD1-CD1 4.08Å; I589-I617 HydrophobicContact CD1-CG1 4.06Å; I589-I617 HydrophobicContact CD1-CG2 4.49Å; I589-I617 HydrophobicContact CG2-CG2 3.99Å; I601-I617 HydrophobicContact CD1-CG2 4.42Å; I601-I617 HydrophobicContact CG2-CD1 4.37Å; I601-I617 HydrophobicContact CG2-CG2 4.05Å; T603-I617 HydrophobicContact CG2-CB 4.31Å; I617-S619 PolarHBondContact O-N 2.61Å; I617-S619 VanDerWaalsContact O-N 3.13Å; I617-V620 PolarHBondContact O-N 2.91Å; I617-V621 HydrophobicContact CG2-CG2 3.59Å; I617-V621 PolarHBondContact O-N 3.09Å; I617-T625 HydrophobicContact CG2-CG2 4.42Å |
| 618 | Y | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.2 | -30.2 | 179.1 | 179.4 | -102 | 0 | 0 | 0 | 112.7 | Y476 L481 T485 T616 V620 P622 T625 L627 N648 | Y476-Y618 AromaticContact CE1-CD1 3.87Å; Y476-Y618 HydrophobicContact CE1-CD1 3.87Å; Y476-Y618 HydrophobicContact CE1-CE1 4.37Å; Y476-Y618 HydrophobicContact CE2-CE1 4.31Å; Y476-Y618 AromaticContact CZ-CD1 3.85Å; Y476-Y618 AromaticContact CZ-CE1 3.88Å; L481-Y618 HydrophobicContact CD1-CD1 4.37Å; L481-Y618 HydrophobicContact CD1-CE1 4.22Å; T485-Y618 HydrophobicContact CG2-CE1 4.25Å; T485-Y618 WeakPolarHBondContact CG2-OH 3.4Å; T485-Y618 PolarHBondContact OG1-OH 2.91Å; T616-Y618 PolarHBondContact O-N 2.89Å; T616-Y618 PolarHBondContact OG1-N 3.05Å; Y618-V620 VanDerWaalsContact C-N 3.3Å; Y618-V620 PolarHBondContact O-N 2.93Å; Y618-P622 HydrophobicContact CD2-CB 4.37Å; Y618-P622 HydrophobicContact CE2-CB 4.06Å; Y618-P622 WeakPolarHBondContact O-CA 3.44Å; Y618-P622 WeakPolarHBondContact O-CB 2.96Å; Y618-P622 VanDerWaalsContact O-CD 3.24Å; Y618-P622 WeakPolarHBondContact O-CD 3.47Å; Y618-P622 VanDerWaalsContact O-N 3.1Å; Y618-T625 HydrophobicContact CD2-CG2 4.2Å; Y618-T625 WeakPolarHBondContact CD2-O 3.49Å; Y618-L627 HydrophobicContact CD1-CD2 4.3Å; Y618-L627 HydrophobicContact CD2-CB 4.27Å; Y618-L627 HydrophobicContact CG-CB 4.05Å; Y618-L627 HydrophobicContact CG-CD2 4.44Å; Y618-N648 HydrophobicContact CE2-CB 4.24Å; Y618-N648 VanDerWaalsContact OH-CA 3.26Å; Y618-N648 WeakPolarHBondContact OH-CA 3.25Å; Y618-N648 PolarHBondContact OH-N 3.38Å; Y618-N648 VanDerWaalsContact OH-N 3.12Å |
| 619 | S | 98 | Very high | 97.7 | Very high | 9 Ų | 9 | 21.7 Ų | 21.7 | 6% | 0.063 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -75.9 | -22.1 | -179.4 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | K615 T616 I617 | K615-S619 WeakPolarHBondContact CE-OG 3.31Å; K615-S619 WeakPolarHBondContact CG-OG 3.37Å; T616-S619 WeakPolarHBondContact O-CB 3.2Å; T616-S619 PolarHBondContact O-N 3.43Å; T616-S619 PolarHBondContact O-OG 3.23Å; I617-S619 PolarHBondContact O-N 2.61Å; I617-S619 VanDerWaalsContact O-N 3.13Å |
| 620 | V | 98 | Very high | 97.7 | Very high | 31 Ų | 31 | 21.6 Ų | 21.6 | 19% | 0.188 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -95.2 | -41.1 | -176.5 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | L586 K590 K615 I617 Y618 P622 | L586-V620 HydrophobicContact CB-CG2 4.19Å; L586-V620 HydrophobicContact CD1-CG2 4.23Å; L586-V620 HydrophobicContact CD2-CG2 4.17Å; L586-V620 HydrophobicContact CG-CG2 4.44Å; K590-V620 HydrophobicContact CB-CG1 3.95Å; K590-V620 HydrophobicContact CD-CG1 4.07Å; K590-V620 HydrophobicContact CG-CG1 4.21Å; K615-V620 HydrophobicContact CD-CG2 4.23Å; K615-V620 HydrophobicContact CG-CG2 4.47Å; I617-V620 PolarHBondContact O-N 2.91Å; Y618-V620 VanDerWaalsContact C-N 3.3Å; Y618-V620 PolarHBondContact O-N 2.93Å; V620-P622 VanDerWaalsContact C-CD 3.5Å |
| 621 | V | 98.4 | Very high | 97.8 | Very high | 11 Ų | 11 | 21.2 Ų | 21.2 | 7% | 0.067 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -132.9 | 62.3 | -179.2 | -73.2 | 0 | 0 | 0 | 0 | 111.1 | I589 K590 V593 I601 I617 Y623 N624 T625 | I589-V621 HydrophobicContact CG2-CG2 3.98Å; K590-V621 HydrophobicContact CB-CG1 4.39Å; K590-V621 HydrophobicContact CG-CG1 4.3Å; V593-V621 HydrophobicContact CB-CG1 3.95Å; V593-V621 HydrophobicContact CG1-CB 4.39Å; V593-V621 HydrophobicContact CG1-CG1 3.96Å; V593-V621 HydrophobicContact CG2-CB 4.29Å; V593-V621 HydrophobicContact CG2-CG1 4.02Å; V593-V621 HydrophobicContact CG2-CG2 4.33Å; I601-V621 HydrophobicContact CD1-CG2 4.03Å; I617-V621 HydrophobicContact CG2-CG2 3.59Å; I617-V621 PolarHBondContact O-N 3.09Å; V621-Y623 VanDerWaalsContact C-N 3.27Å; V621-Y623 PolarHBondContact O-N 3.34Å; V621-N624 PolarHBondContact O-N 3.18Å; V621-N624 VanDerWaalsContact O-N 3.14Å; V621-T625 WeakPolarHBondContact O-CB 3.43Å; V621-T625 PolarHBondContact O-N 3.36Å; V621-T625 PolarHBondContact O-OG1 3.26Å |
| 622 | P | 98.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 21 Ų | 21 | 19% | 0.188 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -61.5 | -32.4 | -173.2 | 20.8 | -31.6 | 0 | 0 | 0 | 113.6 | L481 Y618 V620 N624 T625 N648 | L481-P622 HydrophobicContact CD1-CB 4.33Å; L481-P622 HydrophobicContact CD1-CG 4.45Å; L481-P622 HydrophobicContact CD2-CG 4.4Å; Y618-P622 HydrophobicContact CD2-CB 4.37Å; Y618-P622 HydrophobicContact CE2-CB 4.06Å; Y618-P622 WeakPolarHBondContact O-CA 3.44Å; Y618-P622 WeakPolarHBondContact O-CB 2.96Å; Y618-P622 VanDerWaalsContact O-CD 3.24Å; Y618-P622 WeakPolarHBondContact O-CD 3.47Å; Y618-P622 VanDerWaalsContact O-N 3.1Å; V620-P622 VanDerWaalsContact C-CD 3.5Å; P622-N624 VanDerWaalsContact C-N 3.26Å; P622-N624 PolarHBondContact O-N 3.01Å; P622-T625 PolarHBondContact O-N 3.14Å; P622-N648 HydrophobicContact CB-CB 4.23Å; P622-N648 WeakPolarHBondContact O-CB 3.43Å |
| 623 | Y | 98.7 | Very high | 97.9 | Very high | 77 Ų | 77 | 17.8 Ų | 17.8 | 30% | 0.302 | 9% | 0.087 | S | C | . | . | G | 310 helix | trans | -60.5 | -35.8 | 178.5 | 179.1 | -99.7 | 0 | 0 | 0 | 112.5 | V621 E650 N651 V652 H655 | V621-Y623 VanDerWaalsContact C-N 3.27Å; V621-Y623 PolarHBondContact O-N 3.34Å; Y623-E650 WeakPolarHBondContact CD2-O 3.24Å; Y623-N651 WeakPolarHBondContact CE2-O 3.48Å; Y623-N651 CarbonylContact O-C 3.14Å; Y623-N651 VanDerWaalsContact O-CA 3.32Å; Y623-N651 WeakPolarHBondContact O-CA 3.42Å; Y623-V652 HydrophobicContact CD1-CB 4.07Å; Y623-V652 HydrophobicContact CE1-CB 3.72Å; Y623-V652 HydrophobicContact CE1-CG2 4.08Å; Y623-V652 PolarHBondContact O-N 2.89Å; Y623-H655 WeakPolarHBondContact OH-CB 3.42Å; Y623-H655 PolarHBondContact OH-CD2 2.67Å; Y623-H655 VanDerWaalsContact OH-CG 3.22Å |
| 624 | N | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 11.3 Ų | 11.3 | 4% | 0.037 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -93.5 | -11 | -174 | -69.2 | 82.9 | 0 | 0 | 0 | 113.8 | V593 P597 L599 I601 V621 P622 | V593-N624 HydrophobicContact CG1-CB 4.38Å; V593-N624 WeakPolarHBondContact CG1-OD1 3.43Å; V593-N624 HydrophobicContact CG2-CB 4.4Å; P597-N624 PolarHBondContact O-ND2 3.16Å; L599-N624 WeakPolarHBondContact O-CB 3.42Å; L599-N624 PolarHBondContact O-ND2 2.92Å; I601-N624 HydrophobicContact CD1-CB 4.33Å; I601-N624 HydrophobicContact CG1-CB 4.49Å; I601-N624 PolarHBondContact N-O 3.18Å; V621-N624 PolarHBondContact O-N 3.18Å; V621-N624 VanDerWaalsContact O-N 3.14Å; P622-N624 VanDerWaalsContact C-N 3.26Å; P622-N624 PolarHBondContact O-N 3.01Å |
| 625 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.5 | -160.6 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | I601 T603 I617 Y618 V621 P622 | I601-T625 HydrophobicContact CB-CG2 4.36Å; I601-T625 HydrophobicContact CG2-CG2 4.1Å; I601-T625 CarbonylContact O-C 3.59Å; I601-T625 VanDerWaalsContact O-CA 3.31Å; I601-T625 WeakPolarHBondContact O-CA 3.47Å; T603-T625 HydrophobicContact CG2-CG2 3.67Å; I617-T625 HydrophobicContact CG2-CG2 4.42Å; Y618-T625 HydrophobicContact CD2-CG2 4.2Å; Y618-T625 WeakPolarHBondContact CD2-O 3.49Å; V621-T625 WeakPolarHBondContact O-CB 3.43Å; V621-T625 PolarHBondContact O-N 3.36Å; V621-T625 PolarHBondContact O-OG1 3.26Å; P622-T625 PolarHBondContact O-N 3.14Å |
| 626 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.5 | 156.7 | -77 | 160 | 0 | 0 | 0 | 108.6 | I500 I601 I602 T603 V645 V647 F653 F684 M688 | I500-L626 HydrophobicContact CG1-CD1 4.48Å; I500-L626 HydrophobicContact CG2-CD1 4.3Å; I601-L626 PolarHBondContact O-N 3.35Å; I602-L626 WeakPolarHBondContact CA-O 3.45Å; I602-L626 HydrophobicContact CG1-CB 4.49Å; T603-L626 PolarHBondContact N-O 2.97Å; L626-V645 HydrophobicContact CD2-CG1 3.78Å; L626-V647 HydrophobicContact CD2-CB 3.75Å; L626-V647 HydrophobicContact CD2-CG2 3.73Å; L626-F653 HydrophobicContact CB-CZ 4.23Å; L626-F653 HydrophobicContact CD1-CD1 4.16Å; L626-F653 HydrophobicContact CD1-CE1 3.43Å; L626-F653 VanDerWaalsContact CD1-CE1 3.43Å; L626-F653 HydrophobicContact CD1-CE2 3.98Å; L626-F653 HydrophobicContact CD1-CZ 3.38Å; L626-F653 HydrophobicContact CD2-CE2 4.21Å; L626-F653 HydrophobicContact CD2-CZ 4.41Å; L626-F653 HydrophobicContact CG-CD2 4.39Å; L626-F653 HydrophobicContact CG-CE1 3.98Å; L626-F653 HydrophobicContact CG-CE2 3.58Å; L626-F653 HydrophobicContact CG-CZ 3.35Å; L626-F684 HydrophobicContact CD1-CE1 3.88Å; L626-F684 HydrophobicContact CD2-CE1 4.47Å; L626-M688 HydrophobicContact CD1-CE 4.41Å; L626-M688 HydrophobicContact CD2-CE 4.34Å |
| 627 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.3 | 173.9 | 165 | 65 | 0 | 0 | 0 | 109.4 | L475 Y476 T603 D605 Y618 V645 A646 | L475-L627 HydrophobicContact CD1-CD1 4.48Å; L475-L627 HydrophobicContact CD1-CD2 4.16Å; Y476-L627 HydrophobicContact CE1-CD2 3.83Å; T603-L627 HydrophobicContact CG2-CB 4.25Å; T603-L627 HydrophobicContact CG2-CD1 3.83Å; D605-L627 HydrophobicContact CB-CD1 3.85Å; D605-L627 WeakPolarHBondContact OD2-CD1 3.19Å; Y618-L627 HydrophobicContact CD1-CD2 4.3Å; Y618-L627 HydrophobicContact CD2-CB 4.27Å; Y618-L627 HydrophobicContact CG-CB 4.05Å; Y618-L627 HydrophobicContact CG-CD2 4.44Å; L627-V645 CarbonylContact O-C 3.52Å; L627-V645 VanDerWaalsContact O-CA 3.3Å; L627-V645 WeakPolarHBondContact O-CA 3.39Å; L627-A646 HydrophobicContact CB-CB 4.08Å; L627-A646 HydrophobicContact CD2-CB 4.22Å; L627-A646 HydrophobicContact CG-CB 4.35Å; L627-A646 PolarHBondContact N-O 3.02Å; L627-A646 PolarHBondContact O-N 3.4Å |
| 628 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.6 | 167.1 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | A496 I500 I602 T603 D604 D605 | A496-V628 HydrophobicContact CB-CG1 3.82Å; A496-V628 HydrophobicContact CB-CG2 4.28Å; I500-V628 HydrophobicContact CD1-CG2 3.33Å; I602-V628 HydrophobicContact CG2-CG2 4.29Å; T603-V628 PolarHBondContact O-N 3.14Å; D604-V628 WeakPolarHBondContact CA-O 3.47Å; D604-V628 HydrophobicContact CB-CB 4.22Å; D605-V628 PolarHBondContact N-O 3.24Å |
| 629 | Y | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144 | 171.4 | 179.2 | -97.9 | 0 | 0 | 0 | 110.3 | Y470 L471 L475 T609 Y631 G643 V644 | Y470-Y629 AromaticContact CE1-CE1 3.72Å; Y470-Y629 HydrophobicContact CE1-CE1 3.72Å; Y470-Y629 AromaticContact CE1-CZ 3.93Å; Y470-Y629 PolarHBondContact OH-OH 2.71Å; L471-Y629 HydrophobicContact CD2-CD1 3.71Å; L471-Y629 HydrophobicContact CD2-CD2 4.39Å; L471-Y629 HydrophobicContact CD2-CE1 4.38Å; L471-Y629 HydrophobicContact CD2-CG 3.72Å; L475-Y629 HydrophobicContact CD1-CD2 3.74Å; L475-Y629 HydrophobicContact CD1-CE2 4.34Å; L475-Y629 HydrophobicContact CD1-CG 4.23Å; L475-Y629 HydrophobicContact CD2-CD2 4.45Å; L475-Y629 HydrophobicContact CD2-CE2 4.38Å; T609-Y629 HydrophobicContact CG2-CE2 4.24Å; Y629-Y631 HydrophobicContact CD1-CD2 4.21Å; Y629-Y631 AromaticContact CD1-CE2 3.99Å; Y629-Y631 HydrophobicContact CD1-CE2 3.99Å; Y629-Y631 HydrophobicContact CE1-CD1 4.26Å; Y629-Y631 HydrophobicContact CE1-CD2 4.02Å; Y629-Y631 HydrophobicContact CE1-CE1 4.19Å; Y629-Y631 AromaticContact CE1-CE2 3.96Å; Y629-Y631 HydrophobicContact CE1-CE2 3.96Å; Y629-Y631 HydrophobicContact CE1-CG 4.15Å; Y629-G643 CarbonylContact O-C 3.5Å; Y629-G643 WeakPolarHBondContact O-CA 3.48Å; Y629-V644 HydrophobicContact CD1-CG1 4.26Å; Y629-V644 PolarHBondContact N-O 3.37Å; Y629-V644 PolarHBondContact O-N 3.28Å |
| 630 | S | 98 | Very high | 97.2 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.7 | -178.2 | 170.1 | 0 | 0 | 0 | 0 | 111 | S632 | S630-S632 PolarHBondContact O-N 2.78Å; S630-S632 VanDerWaalsContact O-N 3.13Å; S630-S632 VanDerWaalsContact OG-CB 3.24Å; S630-S632 WeakPolarHBondContact OG-CB 3.45Å; S630-S632 PolarHBondContact OG-N 2.89Å; S630-S632 PolarHBondContact OG-OG 3.11Å |
| 631 | Y | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -0.9 | 177.5 | -70.5 | -98.4 | 0 | 0 | 0 | 112.6 | I467 Y470 Y629 K633 F635 L642 E711 F714 S715 | I467-Y631 WeakPolarHBondContact CG2-OH 3.45Å; Y470-Y631 HydrophobicContact CD1-CE1 4.22Å; Y470-Y631 WeakPolarHBondContact CD1-OH 3.45Å; Y470-Y631 AromaticContact CE1-CE1 3.9Å; Y470-Y631 HydrophobicContact CE1-CE1 3.9Å; Y629-Y631 HydrophobicContact CD1-CD2 4.21Å; Y629-Y631 AromaticContact CD1-CE2 3.99Å; Y629-Y631 HydrophobicContact CD1-CE2 3.99Å; Y629-Y631 HydrophobicContact CE1-CD1 4.26Å; Y629-Y631 HydrophobicContact CE1-CD2 4.02Å; Y629-Y631 HydrophobicContact CE1-CE1 4.19Å; Y629-Y631 AromaticContact CE1-CE2 3.96Å; Y629-Y631 HydrophobicContact CE1-CE2 3.96Å; Y629-Y631 HydrophobicContact CE1-CG 4.15Å; Y631-K633 PolarHBondContact O-N 3.36Å; Y631-F635 AromaticContact CD1-CD2 3.51Å; Y631-F635 HydrophobicContact CD1-CD2 3.51Å; Y631-F635 AromaticContact CD1-CE2 3.42Å; Y631-F635 HydrophobicContact CD1-CE2 3.42Å; Y631-F635 VanDerWaalsContact CD1-CE2 3.42Å; Y631-F635 HydrophobicContact CD1-CZ 4.42Å; Y631-F635 HydrophobicContact CE1-CD2 4.41Å; Y631-F635 AromaticContact CE1-CE2 3.89Å; Y631-F635 HydrophobicContact CE1-CE2 3.89Å; Y631-F635 HydrophobicContact CG-CD2 4.24Å; Y631-F635 HydrophobicContact CG-CE2 4.44Å; Y631-F635 PolarHBondContact O-N 2.89Å; Y631-L642 HydrophobicContact CD2-CB 4.35Å; Y631-L642 HydrophobicContact CG-CB 4.46Å; Y631-L642 PolarHBondContact N-O 3.03Å; Y631-L642 VanDerWaalsContact N-O 3.11Å; Y631-E711 HydrophobicContact CD2-CB 4.37Å; Y631-E711 HydrophobicContact CD2-CG 3.81Å; Y631-E711 HydrophobicContact CE1-CB 4.49Å; Y631-E711 HydrophobicContact CE2-CB 3.95Å; Y631-E711 HydrophobicContact CE2-CG 3.8Å; Y631-E711 HydrophobicContact CG-CG 4.38Å; Y631-F714 HydrophobicContact CD1-CB 3.72Å; Y631-F714 HydrophobicContact CD1-CD2 4.07Å; Y631-F714 HydrophobicContact CD1-CG 4.3Å; Y631-F714 HydrophobicContact CE1-CB 3.95Å; Y631-S715 PolarHBondContact OH-OG 3.13Å |
| 632 | S | 95.5 | Very high | 97.1 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -45 | -170.8 | -67.2 | 0 | 0 | 0 | 0 | 113.6 | S630 A637 | S630-S632 PolarHBondContact O-N 2.78Å; S630-S632 VanDerWaalsContact O-N 3.13Å; S630-S632 VanDerWaalsContact OG-CB 3.24Å; S630-S632 WeakPolarHBondContact OG-CB 3.45Å; S630-S632 PolarHBondContact OG-N 2.89Å; S630-S632 PolarHBondContact OG-OG 3.11Å; S632-A637 PolarHBondContact O-N 2.76Å |
| 633 | K | 95.6 | Very high | 97.1 | Very high | 21 Ų | 21 | 19.5 Ų | 19.5 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -45.8 | -165.8 | -58.6 | -63.4 | -179.4 | 177.4 | 0 | 112.9 | R360 G361 P363 V606 Y607 F610 Y631 Y759 | R360-K633 PolarHBondContact O-NZ 3.44Å; G361-K633 PolarHBondContact O-NZ 2.78Å; P363-K633 WeakPolarHBondContact CG-O 3.26Å; V606-K633 HydrophobicContact CG2-CB 4.08Å; V606-K633 HydrophobicContact CG2-CG 3.52Å; Y607-K633 HydrophobicContact CD1-CB 4.43Å; Y607-K633 HydrophobicContact CD1-CG 4.29Å; Y607-K633 HydrophobicContact CE1-CB 4.25Å; Y607-K633 HydrophobicContact CE1-CD 4.1Å; Y607-K633 HydrophobicContact CE1-CG 3.68Å; F610-K633 HydrophobicContact CE2-CB 4.3Å; Y631-K633 PolarHBondContact O-N 3.36Å; K633-Y759 HydrophobicContact CB-CE2 4.13Å; K633-Y759 HydrophobicContact CD-CE1 4.09Å; K633-Y759 WeakPolarHBondContact CD-OH 3.2Å |
| 634 | L | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -49.2 | 177.7 | 177.8 | 60.7 | 0 | 0 | 0 | 112.1 | W365 Y470 T609 F610 Y727 I728 | W365-L634 PolarHBondContact NE1-O 2.66Å; Y470-L634 WeakPolarHBondContact OH-CD2 3.21Å; T609-L634 HydrophobicContact CG2-CD2 3.86Å; F610-L634 HydrophobicContact CE2-CB 4.42Å; F610-L634 HydrophobicContact CZ-CD1 4.27Å; L634-Y727 HydrophobicContact CD1-CE1 4.24Å; L634-Y727 HydrophobicContact CG-CE1 4.28Å; L634-Y727 PolarHBondContact O-OH 2.97Å; L634-Y727 VanDerWaalsContact O-OH 3.11Å; L634-I728 HydrophobicContact CD1-CG1 4.01Å; L634-I728 HydrophobicContact CD2-CD1 4.08Å; L634-I728 HydrophobicContact CD2-CG1 3.94Å |
| 635 | F | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 4.1 | -169 | -60 | -77.4 | 0 | 0 | 0 | 115.2 | N367 R371 Y470 Y631 A637 F714 Y727 | N367-F635 HydrophobicContact CB-CB 4.4Å; N367-F635 HydrophobicContact CB-CD1 3.97Å; N367-F635 PolarHBondContact N-O 3.39Å; R371-F635 PolarHBondContact NH1-O 3.19Å; R371-F635 PolarHBondContact NH2-O 3.48Å; Y470-F635 HydrophobicContact CE1-CE2 4.49Å; Y470-F635 HydrophobicContact CE2-CZ 4.16Å; Y470-F635 AromaticContact CZ-CE2 3.97Å; Y470-F635 AromaticContact CZ-CZ 3.88Å; Y470-F635 WeakPolarHBondContact OH-CE2 3.23Å; Y470-F635 WeakPolarHBondContact OH-CZ 3.32Å; Y631-F635 AromaticContact CD1-CD2 3.51Å; Y631-F635 HydrophobicContact CD1-CD2 3.51Å; Y631-F635 AromaticContact CD1-CE2 3.42Å; Y631-F635 HydrophobicContact CD1-CE2 3.42Å; Y631-F635 VanDerWaalsContact CD1-CE2 3.42Å; Y631-F635 HydrophobicContact CD1-CZ 4.42Å; Y631-F635 HydrophobicContact CE1-CD2 4.41Å; Y631-F635 AromaticContact CE1-CE2 3.89Å; Y631-F635 HydrophobicContact CE1-CE2 3.89Å; Y631-F635 HydrophobicContact CG-CD2 4.24Å; Y631-F635 HydrophobicContact CG-CE2 4.44Å; Y631-F635 PolarHBondContact O-N 2.89Å; F635-A637 HydrophobicContact CB-CB 4.49Å; F635-F714 HydrophobicContact CB-CD1 3.74Å; F635-F714 HydrophobicContact CB-CD2 4.18Å; F635-F714 HydrophobicContact CB-CE1 3.76Å; F635-F714 HydrophobicContact CB-CE2 4.16Å; F635-F714 HydrophobicContact CB-CG 3.98Å; F635-F714 HydrophobicContact CB-CZ 3.94Å; F635-F714 HydrophobicContact CD1-CB 3.92Å; F635-F714 AromaticContact CD1-CD1 3.57Å; F635-F714 HydrophobicContact CD1-CD1 3.57Å; F635-F714 HydrophobicContact CD1-CE1 4.31Å; F635-F714 AromaticContact CD1-CG 3.89Å; F635-F714 HydrophobicContact CD1-CG 3.89Å; F635-F714 HydrophobicContact CD2-CB 4.04Å; F635-F714 HydrophobicContact CD2-CG 4.15Å; F635-F714 HydrophobicContact CE1-CB 3.91Å; F635-F714 HydrophobicContact CE1-CD1 4.29Å; F635-F714 HydrophobicContact CE1-CG 4.39Å; F635-F714 HydrophobicContact CE2-CB 4.02Å; F635-F714 HydrophobicContact CG-CB 3.97Å; F635-F714 AromaticContact CG-CD1 3.71Å; F635-F714 HydrophobicContact CG-CD1 3.71Å; F635-F714 HydrophobicContact CG-CD2 4.28Å; F635-F714 HydrophobicContact CG-CE1 4.26Å; F635-F714 AromaticContact CG-CG 3.74Å; F635-F714 HydrophobicContact CG-CG 3.74Å; F635-F714 HydrophobicContact CZ-CB 3.95Å; F635-Y727 AromaticContact CD1-CE1 3.95Å; F635-Y727 HydrophobicContact CD1-CE1 3.95Å; F635-Y727 HydrophobicContact CE1-CE1 4.37Å |
| 636 | G | 95.6 | Very high | 97.1 | Very high | 14 Ų | 14 | 15.6 Ų | 15.6 | 14% | 0.144 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 45.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | W365 R371 | W365-G636 WeakPolarHBondContact O-CA 3.47Å; R371-G636 PolarHBondContact NH2-O 2.96Å |
| 637 | A | 96 | Very high | 97.1 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | trans | -117.6 | 26.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S632 F635 G639 W640 F714 | S632-A637 PolarHBondContact O-N 2.76Å; F635-A637 HydrophobicContact CB-CB 4.49Å; A637-G639 PolarHBondContact O-N 3.48Å; A637-W640 HydrophobicContact CB-CB 4.21Å; A637-W640 HydrophobicContact CB-CG 4.41Å; A637-W640 WeakPolarHBondContact O-CB 3.2Å; A637-W640 PolarHBondContact O-N 3.45Å; A637-F714 HydrophobicContact CB-CE2 3.74Å; A637-F714 HydrophobicContact CB-CZ 3.99Å | ||
| 638 | T | 92.5 | Very high | 97.1 | Very high | 36 Ų | 36 | 16 Ų | 16 | 22% | 0.221 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -34.1 | -175.7 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | N362 R641 | N362-T638 VanDerWaalsContact OD1-CG2 3.25Å; N362-T638 WeakPolarHBondContact OD1-CG2 3.35Å; T638-R641 WeakPolarHBondContact O-CD 3.46Å; T638-R641 PolarHBondContact O-NH1 3.11Å |
| 639 | G | 93.2 | Very high | 97 | Very high | 69 Ų | 69 | 20.2 Ų | 20.2 | 71% | 0.711 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A637 R641 | A637-G639 PolarHBondContact O-N 3.48Å; G639-R641 VanDerWaalsContact C-N 3.31Å |
| 640 | W | 95.4 | Very high | 97 | Very high | 91 Ų | 91 | 27 Ų | 27 | 35% | 0.345 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -18.1 | 175.9 | -78.4 | 82.2 | 0 | 0 | 0 | 113 | F374 A637 L642 Q707 M710 | F374-W640 HydrophobicContact CD1-CH2 4.38Å; F374-W640 HydrophobicContact CE1-CH2 4.09Å; F374-W640 HydrophobicContact CZ-CH2 4.45Å; F374-W640 HydrophobicContact CZ-CZ3 4.45Å; A637-W640 HydrophobicContact CB-CB 4.21Å; A637-W640 HydrophobicContact CB-CG 4.41Å; A637-W640 WeakPolarHBondContact O-CB 3.2Å; A637-W640 PolarHBondContact O-N 3.45Å; W640-L642 HydrophobicContact CB-CD1 3.76Å; W640-L642 HydrophobicContact CB-CD2 4.33Å; W640-L642 HydrophobicContact CB-CG 3.65Å; W640-L642 HydrophobicContact CG-CD1 4.38Å; W640-Q707 PolarHBondContact O-NE2 2.94Å; W640-M710 HydrophobicContact CD2-CG 4.26Å; W640-M710 HydrophobicContact CE3-CB 4.3Å; W640-M710 HydrophobicContact CE3-CG 3.94Å; W640-M710 HydrophobicContact CH2-CG 4.4Å; W640-M710 HydrophobicContact CH2-SD 4.23Å; W640-M710 HydrophobicContact CZ2-SD 4.47Å; W640-M710 HydrophobicContact CZ3-CB 4.25Å; W640-M710 HydrophobicContact CZ3-CG 4.01Å; W640-M710 HydrophobicContact CZ3-SD 4.39Å |
| 641 | R | 95.9 | Very high | 97 | Very high | 80 Ų | 80 | 27 Ų | 27 | 30% | 0.302 | 14% | 0.143 | S | C | . | . | trans | 56.4 | 63.7 | -180 | -52.9 | -52.4 | -50.1 | 144.4 | 2.5 | 111 | E491 G492 T494 T638 G639 Q707 | E491-R641 CarbonylContact C-O 3.42Å; E491-R641 VanDerWaalsContact C-O 3.26Å; E491-R641 WeakPolarHBondContact CA-O 3.5Å; E491-R641 HydrophobicContact CB-CB 4.15Å; E491-R641 PolarHBondContact O-NE 3.39Å; E491-R641 PolarHBondContact O-NH2 3.07Å; G492-R641 PolarHBondContact N-O 3.22Å; T494-R641 PolarHBondContact OG1-NH2 3.39Å; T638-R641 WeakPolarHBondContact O-CD 3.46Å; T638-R641 PolarHBondContact O-NH1 3.11Å; G639-R641 VanDerWaalsContact C-N 3.31Å; R641-Q707 PolarHBondContact O-NE2 3.47Å | ||
| 642 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.5 | -176.3 | -56.9 | 179.7 | 0 | 0 | 0 | 111.1 | Y631 W640 L703 Q707 M710 E711 F714 | Y631-L642 HydrophobicContact CD2-CB 4.35Å; Y631-L642 HydrophobicContact CG-CB 4.46Å; Y631-L642 PolarHBondContact N-O 3.03Å; Y631-L642 VanDerWaalsContact N-O 3.11Å; W640-L642 HydrophobicContact CB-CD1 3.76Å; W640-L642 HydrophobicContact CB-CD2 4.33Å; W640-L642 HydrophobicContact CB-CG 3.65Å; W640-L642 HydrophobicContact CG-CD1 4.38Å; L642-L703 HydrophobicContact CD2-CD2 4.45Å; L642-Q707 HydrophobicContact CD2-CB 3.49Å; L642-Q707 VanDerWaalsContact CD2-CB 3.49Å; L642-Q707 HydrophobicContact CD2-CG 3.79Å; L642-M710 HydrophobicContact CD1-CB 3.99Å; L642-M710 HydrophobicContact CD1-CG 3.84Å; L642-E711 WeakPolarHBondContact CA-OE1 3.04Å; L642-E711 HydrophobicContact CB-CG 3.87Å; L642-E711 WeakPolarHBondContact CB-OE1 3.21Å; L642-E711 HydrophobicContact CD1-CG 4.12Å; L642-E711 HydrophobicContact CD2-CG 4.15Å; L642-E711 HydrophobicContact CG-CG 4.25Å; L642-F714 HydrophobicContact CD1-CD2 4.09Å; L642-F714 HydrophobicContact CD1-CE2 3.77Å |
| 643 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | 162.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P489 T490 Y629 E711 | P489-G643 CarbonylContact C-O 3.49Å; P489-G643 VanDerWaalsContact CA-O 3.32Å; P489-G643 WeakPolarHBondContact CA-O 3.44Å; T490-G643 PolarHBondContact N-O 3.29Å; T490-G643 PolarHBondContact O-N 3.47Å; T490-G643 PolarHBondContact OG1-O 3.24Å; Y629-G643 CarbonylContact O-C 3.5Å; Y629-G643 WeakPolarHBondContact O-CA 3.48Å; G643-E711 PolarHBondContact N-OE1 3.35Å |
| 644 | V | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 139.6 | -173.5 | 63 | 0 | 0 | 0 | 0 | 110.4 | I467 L471 L487 F488 Y629 | I467-V644 HydrophobicContact CG2-CG1 4.45Å; L471-V644 HydrophobicContact CD1-CG1 4.06Å; L471-V644 HydrophobicContact CD2-CG1 4.43Å; L487-V644 HydrophobicContact CB-CG2 3.8Å; L487-V644 HydrophobicContact CD1-CG2 4.29Å; L487-V644 HydrophobicContact CD2-CG2 3.92Å; L487-V644 HydrophobicContact CG-CG2 4.22Å; F488-V644 WeakPolarHBondContact O-CA 3.25Å; Y629-V644 HydrophobicContact CD1-CG1 4.26Å; Y629-V644 PolarHBondContact N-O 3.37Å; Y629-V644 PolarHBondContact O-N 3.28Å |
| 645 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.4 | 164.9 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | L487 F488 T490 A496 I500 L626 L627 M688 | L487-V645 CarbonylContact C-O 3.6Å; L487-V645 WeakPolarHBondContact CA-O 3.4Å; F488-V645 HydrophobicContact CB-CB 4.47Å; F488-V645 PolarHBondContact N-O 3.34Å; F488-V645 PolarHBondContact O-N 3.23Å; T490-V645 HydrophobicContact CG2-CG2 4.29Å; A496-V645 HydrophobicContact CB-CG2 3.47Å; A496-V645 VanDerWaalsContact CB-CG2 3.47Å; I500-V645 HydrophobicContact CD1-CG1 4.25Å; I500-V645 HydrophobicContact CD1-CG2 4.05Å; I500-V645 HydrophobicContact CG1-CG1 4.48Å; I500-V645 HydrophobicContact CG1-CG2 4.38Å; L626-V645 HydrophobicContact CD2-CG1 3.78Å; L627-V645 CarbonylContact O-C 3.52Å; L627-V645 VanDerWaalsContact O-CA 3.3Å; L627-V645 WeakPolarHBondContact O-CA 3.39Å; V645-M688 HydrophobicContact CB-SD 4.37Å; V645-M688 HydrophobicContact CG1-CE 4.25Å; V645-M688 HydrophobicContact CG1-SD 4.08Å; V645-M688 HydrophobicContact CG2-SD 4.24Å |
| 646 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L471 T485 L487 L627 | L471-A646 HydrophobicContact CD1-CB 4.45Å; T485-A646 HydrophobicContact CG2-CB 3.68Å; L487-A646 HydrophobicContact CD2-CB 3.34Å; L627-A646 HydrophobicContact CB-CB 4.08Å; L627-A646 HydrophobicContact CD2-CB 4.22Å; L627-A646 HydrophobicContact CG-CB 4.35Å; L627-A646 PolarHBondContact N-O 3.02Å; L627-A646 PolarHBondContact O-N 3.4Å |
| 647 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.9 | 174.7 | 78.4 | 0 | 0 | 0 | 0 | 109.9 | T485 D486 L626 N651 F653 I685 | T485-V647 WeakPolarHBondContact CA-O 3.43Å; D486-V647 HydrophobicContact CB-CG1 4.28Å; D486-V647 PolarHBondContact N-O 3.36Å; D486-V647 PolarHBondContact O-N 2.9Å; L626-V647 HydrophobicContact CD2-CB 3.75Å; L626-V647 HydrophobicContact CD2-CG2 3.73Å; V647-N651 HydrophobicContact CG2-CB 3.85Å; V647-F653 HydrophobicContact CG2-CD2 3.97Å; V647-F653 HydrophobicContact CG2-CE2 4.07Å; V647-I685 HydrophobicContact CG1-CB 3.81Å; V647-I685 HydrophobicContact CG1-CD1 3.78Å; V647-I685 HydrophobicContact CG1-CG1 4.33Å; V647-I685 HydrophobicContact CG1-CG2 4.15Å |
| 648 | N | 98.7 | Very high | 97.6 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 143.1 | 171.1 | -164 | -77 | 0 | 0 | 0 | 110.1 | Q484 Y618 P622 E650 N651 | Q484-N648 CarbonylContact O-C 3.37Å; Q484-N648 WeakPolarHBondContact O-CA 3.24Å; Y618-N648 HydrophobicContact CE2-CB 4.24Å; Y618-N648 VanDerWaalsContact OH-CA 3.26Å; Y618-N648 WeakPolarHBondContact OH-CA 3.25Å; Y618-N648 PolarHBondContact OH-N 3.38Å; Y618-N648 VanDerWaalsContact OH-N 3.12Å; P622-N648 HydrophobicContact CB-CB 4.23Å; P622-N648 WeakPolarHBondContact O-CB 3.43Å; N648-E650 WeakPolarHBondContact CB-O 3.27Å; N648-E650 PolarHBondContact O-N 2.74Å; N648-E650 PolarHBondContact OD1-N 3.32Å; N648-E650 PolarHBondContact OD1-O 3.35Å; N648-N651 WeakPolarHBondContact O-CB 3.23Å; N648-N651 PolarHBondContact O-ND2 3.03Å |
| 649 | K | 98.4 | Very high | 97.8 | Very high | 87 Ų | 87 | 39 Ų | 39 | 38% | 0.378 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -56.3 | -33.9 | 175.7 | -75.6 | 175.2 | -179.2 | 174.6 | 0 | 112.4 | E483 Q484 D486 | E483-K649 WeakPolarHBondContact O-CE 3.14Å; E483-K649 PolarHBondContact O-NZ 3.43Å; Q484-K649 WeakPolarHBondContact O-CG 3.32Å; Q484-K649 PolarHBondContact O-N 2.96Å; D486-K649 WeakPolarHBondContact OD1-CE 3.46Å |
| 650 | E | 98.1 | Very high | 98 | Very high | 144 Ų | 144 | 36.9 Ų | 36.9 | 67% | 0.673 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -107.5 | 113 | 169.2 | -60.7 | -60.2 | 148.4 | 0 | 0 | 108.3 | Y623 N648 | Y623-E650 WeakPolarHBondContact CD2-O 3.24Å; N648-E650 WeakPolarHBondContact CB-O 3.27Å; N648-E650 PolarHBondContact O-N 2.74Å; N648-E650 PolarHBondContact OD1-N 3.32Å; N648-E650 PolarHBondContact OD1-O 3.35Å |
| 651 | N | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | trans | -142.8 | 162.3 | -171.1 | 64.1 | 75.2 | 0 | 0 | 0 | 113.2 | Y623 V647 N648 F653 D654 H655 | Y623-N651 WeakPolarHBondContact CE2-O 3.48Å; Y623-N651 CarbonylContact O-C 3.14Å; Y623-N651 VanDerWaalsContact O-CA 3.32Å; Y623-N651 WeakPolarHBondContact O-CA 3.42Å; V647-N651 HydrophobicContact CG2-CB 3.85Å; N648-N651 WeakPolarHBondContact O-CB 3.23Å; N648-N651 PolarHBondContact O-ND2 3.03Å; N651-F653 VanDerWaalsContact C-N 3.28Å; N651-F653 HydrophobicContact CB-CD2 3.91Å; N651-F653 HydrophobicContact CB-CE2 4.47Å; N651-F653 PolarHBondContact O-N 3.03Å; N651-F653 WeakPolarHBondContact OD1-CA 3.48Å; N651-F653 VanDerWaalsContact OD1-CB 3.29Å; N651-F653 WeakPolarHBondContact OD1-CB 3.45Å; N651-F653 WeakPolarHBondContact OD1-CD2 3.47Å; N651-F653 PolarHBondContact OD1-N 3.22Å; N651-D654 PolarHBondContact ND2-OD2 3.15Å; N651-D654 PolarHBondContact OD1-N 3.15Å; N651-D654 PolarHBondContact OD1-OD2 2.64Å; N651-H655 PolarHBondContact O-N 3.43Å | ||
| 652 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.8 | -30.4 | -179.8 | 71.1 | 0 | 0 | 0 | 0 | 112.1 | I600 Y623 H655 L656 | I600-V652 HydrophobicContact CG1-CG1 4.2Å; Y623-V652 HydrophobicContact CD1-CB 4.07Å; Y623-V652 HydrophobicContact CE1-CB 3.72Å; Y623-V652 HydrophobicContact CE1-CG2 4.08Å; Y623-V652 PolarHBondContact O-N 2.89Å; V652-H655 PolarHBondContact O-N 3.18Å; V652-L656 HydrophobicContact CG2-CD1 3.95Å; V652-L656 HydrophobicContact CG2-CG 4.12Å; V652-L656 WeakPolarHBondContact O-CB 3.45Å; V652-L656 VanDerWaalsContact O-CG 3.23Å; V652-L656 WeakPolarHBondContact O-CG 3.18Å; V652-L656 PolarHBondContact O-N 3.17Å |
| 653 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.8 | -51.8 | -176.6 | -47 | -85.9 | 0 | 0 | 0 | 111 | L504 L509 I600 L626 V647 N651 H655 L656 I657 F684 | L504-F653 HydrophobicContact CD2-CD1 3.9Å; L504-F653 HydrophobicContact CD2-CE1 3.99Å; L509-F653 HydrophobicContact CD1-CB 3.92Å; L509-F653 HydrophobicContact CD1-CD1 3.94Å; L509-F653 HydrophobicContact CD1-CG 4.45Å; I600-F653 HydrophobicContact CB-CE1 4.25Å; I600-F653 HydrophobicContact CD1-CD1 4.37Å; I600-F653 HydrophobicContact CD1-CE1 4.32Å; I600-F653 HydrophobicContact CG1-CD1 4.33Å; I600-F653 HydrophobicContact CG1-CE1 3.99Å; I600-F653 HydrophobicContact CG2-CD1 4.48Å; I600-F653 HydrophobicContact CG2-CE1 3.47Å; I600-F653 VanDerWaalsContact CG2-CE1 3.47Å; I600-F653 HydrophobicContact CG2-CZ 4.02Å; L626-F653 HydrophobicContact CB-CZ 4.23Å; L626-F653 HydrophobicContact CD1-CD1 4.16Å; L626-F653 HydrophobicContact CD1-CE1 3.43Å; L626-F653 VanDerWaalsContact CD1-CE1 3.43Å; L626-F653 HydrophobicContact CD1-CE2 3.98Å; L626-F653 HydrophobicContact CD1-CZ 3.38Å; L626-F653 HydrophobicContact CD2-CE2 4.21Å; L626-F653 HydrophobicContact CD2-CZ 4.41Å; L626-F653 HydrophobicContact CG-CD2 4.39Å; L626-F653 HydrophobicContact CG-CE1 3.98Å; L626-F653 HydrophobicContact CG-CE2 3.58Å; L626-F653 HydrophobicContact CG-CZ 3.35Å; V647-F653 HydrophobicContact CG2-CD2 3.97Å; V647-F653 HydrophobicContact CG2-CE2 4.07Å; N651-F653 VanDerWaalsContact C-N 3.28Å; N651-F653 HydrophobicContact CB-CD2 3.91Å; N651-F653 HydrophobicContact CB-CE2 4.47Å; N651-F653 PolarHBondContact O-N 3.03Å; N651-F653 WeakPolarHBondContact OD1-CA 3.48Å; N651-F653 VanDerWaalsContact OD1-CB 3.29Å; N651-F653 WeakPolarHBondContact OD1-CB 3.45Å; N651-F653 WeakPolarHBondContact OD1-CD2 3.47Å; N651-F653 PolarHBondContact OD1-N 3.22Å; F653-H655 VanDerWaalsContact C-N 3.29Å; F653-H655 PolarHBondContact O-N 3.42Å; F653-L656 PolarHBondContact O-N 2.65Å; F653-I657 VanDerWaalsContact O-CG1 3.3Å; F653-I657 WeakPolarHBondContact O-CG1 3.3Å; F653-I657 PolarHBondContact O-N 2.83Å; F653-F684 HydrophobicContact CB-CB 3.79Å; F653-F684 HydrophobicContact CB-CD1 3.6Å; F653-F684 HydrophobicContact CB-CD2 4.09Å; F653-F684 HydrophobicContact CB-CE1 4.21Å; F653-F684 HydrophobicContact CB-CG 3.52Å; F653-F684 HydrophobicContact CD1-CD1 4.15Å; F653-F684 AromaticContact CD1-CE1 3.94Å; F653-F684 HydrophobicContact CD1-CE1 3.94Å; F653-F684 HydrophobicContact CD1-CZ 4.29Å; F653-F684 HydrophobicContact CD2-CD1 4.22Å; F653-F684 AromaticContact CG-CD1 3.72Å; F653-F684 HydrophobicContact CG-CD1 3.72Å; F653-F684 AromaticContact CG-CE1 3.99Å; F653-F684 HydrophobicContact CG-CE1 3.99Å; F653-F684 HydrophobicContact CG-CG 4.18Å |
| 654 | D | 98.5 | Very high | 98.1 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 21% | 0.214 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 176.2 | -73.7 | -40.4 | 0 | 0 | 0 | 111.4 | N651 I657 S658 K683 F684 | N651-D654 PolarHBondContact ND2-OD2 3.15Å; N651-D654 PolarHBondContact OD1-N 3.15Å; N651-D654 PolarHBondContact OD1-OD2 2.64Å; D654-I657 PolarHBondContact O-N 3.25Å; D654-S658 WeakPolarHBondContact O-CB 3.33Å; D654-S658 PolarHBondContact O-N 2.9Å; D654-K683 WeakPolarHBondContact OD1-CA 3.46Å; D654-F684 WeakPolarHBondContact OD1-CB 3.41Å; D654-F684 PolarHBondContact OD1-N 3.48Å |
| 655 | H | 98.2 | Very high | 98 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 29% | 0.292 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 174.9 | 173.6 | 75.2 | 0 | 0 | 0 | 112.7 | E598 Y623 N651 V652 F653 S658 K659 | E598-H655 IonicContact OE1-NE2 2.83Å; Y623-H655 WeakPolarHBondContact OH-CB 3.42Å; Y623-H655 PolarHBondContact OH-CD2 2.67Å; Y623-H655 VanDerWaalsContact OH-CG 3.22Å; N651-H655 PolarHBondContact O-N 3.43Å; V652-H655 PolarHBondContact O-N 3.18Å; F653-H655 VanDerWaalsContact C-N 3.29Å; F653-H655 PolarHBondContact O-N 3.42Å; H655-S658 WeakPolarHBondContact O-CB 3.39Å; H655-S658 PolarHBondContact O-N 2.82Å; H655-S658 PolarHBondContact O-OG 2.99Å; H655-K659 WeakPolarHBondContact CE1-CE 3.42Å; H655-K659 VanDerWaalsContact NE2-CE 3.3Å; H655-K659 WeakPolarHBondContact NE2-CE 3.32Å; H655-K659 PolarHBondContact NE2-NZ 3.05Å; H655-K659 PolarHBondContact O-N 3.46Å |
| 656 | L | 98.2 | Very high | 97.9 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 15% | 0.152 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 177.6 | -73.5 | 174 | 0 | 0 | 0 | 111.9 | L509 E598 I600 V652 F653 S658 K659 L660 | L509-L656 HydrophobicContact CD2-CB 3.47Å; L509-L656 VanDerWaalsContact CD2-CB 3.47Å; L509-L656 HydrophobicContact CD2-CD1 4.28Å; E598-L656 HydrophobicContact CB-CD2 4.11Å; E598-L656 HydrophobicContact CG-CD2 4.03Å; I600-L656 HydrophobicContact CD1-CD1 3.87Å; I600-L656 HydrophobicContact CG1-CD1 3.99Å; V652-L656 HydrophobicContact CG2-CD1 3.95Å; V652-L656 HydrophobicContact CG2-CG 4.12Å; V652-L656 WeakPolarHBondContact O-CB 3.45Å; V652-L656 VanDerWaalsContact O-CG 3.23Å; V652-L656 WeakPolarHBondContact O-CG 3.18Å; V652-L656 PolarHBondContact O-N 3.17Å; F653-L656 PolarHBondContact O-N 2.65Å; L656-S658 VanDerWaalsContact C-N 3.26Å; L656-S658 PolarHBondContact O-N 3.2Å; L656-K659 WeakPolarHBondContact O-CB 3.29Å; L656-K659 PolarHBondContact O-N 2.93Å; L656-L660 PolarHBondContact O-N 3.26Å |
| 657 | I | 98.1 | Very high | 97.8 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 172.3 | -69 | 168.5 | 0 | 0 | 0 | 110.1 | N507 L509 F653 D654 K659 L660 K665 L668 F684 | N507-I657 HydrophobicContact CB-CD1 4.03Å; N507-I657 HydrophobicContact CB-CG1 4.33Å; L509-I657 HydrophobicContact CD1-CG1 4.4Å; L509-I657 HydrophobicContact CD2-CG1 3.99Å; L509-I657 HydrophobicContact CG-CG1 4.37Å; F653-I657 VanDerWaalsContact O-CG1 3.3Å; F653-I657 WeakPolarHBondContact O-CG1 3.3Å; F653-I657 PolarHBondContact O-N 2.83Å; D654-I657 PolarHBondContact O-N 3.25Å; I657-K659 PolarHBondContact O-N 3.39Å; I657-L660 HydrophobicContact CG2-CD1 4.47Å; I657-L660 WeakPolarHBondContact O-CB 3.3Å; I657-L660 WeakPolarHBondContact O-CG 3.44Å; I657-L660 PolarHBondContact O-N 2.98Å; I657-K665 WeakPolarHBondContact O-CE 3.43Å; I657-L668 HydrophobicContact CG2-CD1 4.18Å; I657-F684 HydrophobicContact CD1-CB 4.24Å; I657-F684 HydrophobicContact CD1-CD2 3.83Å; I657-F684 HydrophobicContact CD1-CG 4.48Å |
| 658 | S | 97.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 59 Ų | 59 | 47% | 0.469 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -20.1 | 176.7 | 90.6 | 0 | 0 | 0 | 0 | 113.6 | D654 H655 L656 K665 | D654-S658 WeakPolarHBondContact O-CB 3.33Å; D654-S658 PolarHBondContact O-N 2.9Å; H655-S658 WeakPolarHBondContact O-CB 3.39Å; H655-S658 PolarHBondContact O-N 2.82Å; H655-S658 PolarHBondContact O-OG 2.99Å; L656-S658 VanDerWaalsContact C-N 3.26Å; L656-S658 PolarHBondContact O-N 3.2Å; S658-K665 WeakPolarHBondContact O-CE 3.1Å; S658-K665 PolarHBondContact O-NZ 3.4Å |
| 659 | K | 96.9 | Very high | 97.7 | Very high | 119 Ų | 119 | 61 Ų | 61 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -94.1 | -6.9 | 177.9 | -74.1 | -174.7 | 171.8 | -175.9 | 0 | 114.6 | E598 H655 L656 I657 | E598-K659 IonicContact OE1-NZ 3.99Å; E598-K659 PolarHBondContact OE1-NZ 3.05Å; H655-K659 WeakPolarHBondContact CE1-CE 3.42Å; H655-K659 VanDerWaalsContact NE2-CE 3.3Å; H655-K659 WeakPolarHBondContact NE2-CE 3.32Å; H655-K659 PolarHBondContact NE2-NZ 3.05Å; H655-K659 PolarHBondContact O-N 3.46Å; L656-K659 WeakPolarHBondContact O-CB 3.29Å; L656-K659 PolarHBondContact O-N 2.93Å; I657-K659 PolarHBondContact O-N 3.39Å |
| 660 | L | 97.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 61.8 Ų | 61.8 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -58.7 | 154.2 | 178 | -65.9 | 176.4 | 0 | 0 | 0 | 112.1 | K508 L656 I657 K664 K665 L668 | K508-L660 HydrophobicContact CB-CD1 4.24Å; K508-L660 HydrophobicContact CB-CD2 4.24Å; L656-L660 PolarHBondContact O-N 3.26Å; I657-L660 HydrophobicContact CG2-CD1 4.47Å; I657-L660 WeakPolarHBondContact O-CB 3.3Å; I657-L660 WeakPolarHBondContact O-CG 3.44Å; I657-L660 PolarHBondContact O-N 2.98Å; L660-K664 HydrophobicContact CB-CB 4.12Å; L660-K664 HydrophobicContact CD1-CB 4.46Å; L660-K664 HydrophobicContact CD2-CD 4.03Å; L660-K665 HydrophobicContact CB-CG 4.05Å; L660-K665 WeakPolarHBondContact O-CE 3.3Å; L660-L668 HydrophobicContact CD1-CD1 3.66Å |
| 661 | S | 97.3 | Very high | 97.5 | Very high | 58 Ų | 58 | 58.2 Ų | 58.2 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | trans | -59.5 | 155.5 | 173.6 | 65.5 | 0 | 0 | 0 | 0 | 111 | E663 K664 K665 | S661-E663 PolarHBondContact O-N 3.07Å; S661-K664 PolarHBondContact O-N 3.06Å; S661-K664 WeakPolarHBondContact OG-CG 3.4Å; S661-K664 PolarHBondContact OG-N 3.31Å; S661-K665 WeakPolarHBondContact O-CG 3.25Å; S661-K665 PolarHBondContact O-N 3.42Å | ||
| 662 | Q | 97.1 | Very high | 97.4 | Very high | 150 Ų | 150 | 58 Ų | 58 | 70% | 0.701 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.5 | -33.8 | 179 | -67.1 | -61.3 | -28.7 | 0 | 0 | 112.6 | K665 A666 | Q662-K665 PolarHBondContact O-N 2.79Å; Q662-A666 WeakPolarHBondContact O-CB 3.4Å; Q662-A666 PolarHBondContact O-N 3.33Å |
| 663 | E | 97.5 | Very high | 97.2 | Very high | 143 Ų | 143 | 61.3 Ų | 61.3 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.5 | -53.9 | 173.7 | -179.3 | 179.8 | -162.7 | 0 | 0 | 111.8 | S661 K665 A666 E667 | S661-E663 PolarHBondContact O-N 3.07Å; E663-K665 VanDerWaalsContact C-N 3.31Å; E663-K665 PolarHBondContact O-N 3.4Å; E663-A666 WeakPolarHBondContact O-CB 3.43Å; E663-A666 PolarHBondContact O-N 3.37Å; E663-A666 VanDerWaalsContact O-N 3.09Å; E663-E667 PolarHBondContact O-N 2.87Å |
| 664 | K | 97.2 | Very high | 96.9 | Very high | 77 Ų | 77 | 66.8 Ų | 66.8 | 34% | 0.335 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 177.9 | -71.8 | -177.8 | 176.1 | -170.8 | 0 | 112.1 | K508 L660 S661 A666 E667 L668 | K508-K664 HydrophobicContact CB-CD 4.2Å; K508-K664 HydrophobicContact CG-CD 4.31Å; L660-K664 HydrophobicContact CB-CB 4.12Å; L660-K664 HydrophobicContact CD1-CB 4.46Å; L660-K664 HydrophobicContact CD2-CD 4.03Å; S661-K664 PolarHBondContact O-N 3.06Å; S661-K664 WeakPolarHBondContact OG-CG 3.4Å; S661-K664 PolarHBondContact OG-N 3.31Å; K664-A666 VanDerWaalsContact C-N 3.32Å; K664-A666 PolarHBondContact O-N 3.14Å; K664-E667 WeakPolarHBondContact O-CB 3.42Å; K664-E667 PolarHBondContact O-N 3.42Å; K664-L668 WeakPolarHBondContact O-CG 3.09Å; K664-L668 PolarHBondContact O-N 3.01Å |
| 665 | K | 97.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 66.9 Ų | 66.9 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 174.2 | -73 | 179.4 | 176.1 | 176.4 | 0 | 111.6 | I657 S658 L660 S661 Q662 E663 E667 L668 T669 | I657-K665 WeakPolarHBondContact O-CE 3.43Å; S658-K665 WeakPolarHBondContact O-CE 3.1Å; S658-K665 PolarHBondContact O-NZ 3.4Å; L660-K665 HydrophobicContact CB-CG 4.05Å; L660-K665 WeakPolarHBondContact O-CE 3.3Å; S661-K665 WeakPolarHBondContact O-CG 3.25Å; S661-K665 PolarHBondContact O-N 3.42Å; Q662-K665 PolarHBondContact O-N 2.79Å; E663-K665 VanDerWaalsContact C-N 3.31Å; E663-K665 PolarHBondContact O-N 3.4Å; K665-E667 VanDerWaalsContact C-N 3.34Å; K665-E667 PolarHBondContact O-N 3.04Å; K665-L668 PolarHBondContact O-N 3.43Å; K665-T669 WeakPolarHBondContact O-CB 3.32Å; K665-T669 PolarHBondContact O-N 2.82Å; K665-T669 PolarHBondContact O-OG1 3.25Å |
| 666 | A | 96.8 | Very high | 96 | Very high | 53 Ų | 53 | 66 Ų | 66 | 44% | 0.438 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q662 E663 K664 T669 T670 | Q662-A666 WeakPolarHBondContact O-CB 3.4Å; Q662-A666 PolarHBondContact O-N 3.33Å; E663-A666 WeakPolarHBondContact O-CB 3.43Å; E663-A666 PolarHBondContact O-N 3.37Å; E663-A666 VanDerWaalsContact O-N 3.09Å; K664-A666 VanDerWaalsContact C-N 3.32Å; K664-A666 PolarHBondContact O-N 3.14Å; A666-T669 PolarHBondContact O-N 2.82Å; A666-T670 PolarHBondContact O-N 3.23Å; A666-T670 PolarHBondContact O-OG1 2.71Å |
| 667 | E | 97.1 | Very high | 95.7 | Very high | 92 Ų | 92 | 73.2 Ų | 73.2 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.8 | -50 | 171.3 | -68.4 | 174.5 | -158.4 | 0 | 0 | 111.4 | K508 E663 K664 K665 T669 T670 R671 | K508-E667 WeakPolarHBondContact CE-OE2 3.46Å; K508-E667 IonicContact NZ-OE2 2.63Å; E663-E667 PolarHBondContact O-N 2.87Å; K664-E667 WeakPolarHBondContact O-CB 3.42Å; K664-E667 PolarHBondContact O-N 3.42Å; K665-E667 VanDerWaalsContact C-N 3.34Å; K665-E667 PolarHBondContact O-N 3.04Å; E667-T669 VanDerWaalsContact C-N 3.35Å; E667-T669 PolarHBondContact O-N 3.09Å; E667-T670 WeakPolarHBondContact O-CB 3.43Å; E667-T670 PolarHBondContact O-N 3.23Å; E667-R671 PolarHBondContact O-N 3.07Å |
| 668 | L | 97.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 77.2 Ų | 77.2 | 3% | 0.026 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.6 | -62.3 | -178.2 | 0 | 0 | 0 | 111.8 | E506 I657 L660 K664 K665 T670 R671 Y672 | E506-L668 VanDerWaalsContact O-CD2 3.29Å; E506-L668 WeakPolarHBondContact O-CD2 3.48Å; I657-L668 HydrophobicContact CG2-CD1 4.18Å; L660-L668 HydrophobicContact CD1-CD1 3.66Å; K664-L668 WeakPolarHBondContact O-CG 3.09Å; K664-L668 PolarHBondContact O-N 3.01Å; K665-L668 PolarHBondContact O-N 3.43Å; L668-T670 VanDerWaalsContact C-N 3.3Å; L668-T670 PolarHBondContact O-N 3.37Å; L668-R671 PolarHBondContact O-N 3.27Å; L668-Y672 HydrophobicContact CB-CD2 4.44Å; L668-Y672 HydrophobicContact CB-CE2 4.42Å; L668-Y672 HydrophobicContact CD2-CE2 4.18Å; L668-Y672 WeakPolarHBondContact O-CD2 3.39Å; L668-Y672 PolarHBondContact O-N 2.94Å |
| 669 | T | 96.8 | Very high | 95.3 | Very high | 52 Ų | 52 | 74.2 Ų | 74.2 | 32% | 0.319 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 174.3 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | K665 A666 E667 S673 P679 | K665-T669 WeakPolarHBondContact O-CB 3.32Å; K665-T669 PolarHBondContact O-N 2.82Å; K665-T669 PolarHBondContact O-OG1 3.25Å; A666-T669 PolarHBondContact O-N 2.82Å; E667-T669 VanDerWaalsContact C-N 3.35Å; E667-T669 PolarHBondContact O-N 3.09Å; T669-S673 WeakPolarHBondContact O-CA 3.48Å; T669-S673 WeakPolarHBondContact O-CB 3.41Å; T669-S673 PolarHBondContact O-N 2.98Å; T669-S673 PolarHBondContact O-OG 2.83Å; T669-P679 HydrophobicContact CG2-CB 4.32Å; T669-P679 HydrophobicContact CG2-CG 4.15Å |
| 670 | T | 96.6 | Very high | 95.2 | Very high | 104 Ų | 104 | 74 Ų | 74 | 64% | 0.638 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.7 | -46.8 | 177.2 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | A666 E667 L668 Y672 S673 | A666-T670 PolarHBondContact O-N 3.23Å; A666-T670 PolarHBondContact O-OG1 2.71Å; E667-T670 WeakPolarHBondContact O-CB 3.43Å; E667-T670 PolarHBondContact O-N 3.23Å; L668-T670 VanDerWaalsContact C-N 3.3Å; L668-T670 PolarHBondContact O-N 3.37Å; T670-Y672 PolarHBondContact O-N 3.31Å; T670-S673 PolarHBondContact O-OG 2.91Å |
| 671 | R | 96.2 | Very high | 95 | Very high | 70 Ų | 70 | 79.2 Ų | 79.2 | 26% | 0.264 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -54.1 | -54.2 | 178.4 | -177.5 | 178.2 | 179.9 | 90.6 | 7.8 | 112.4 | E506 E667 L668 D691 V695 | E506-R671 VanDerWaalsContact CD-CZ 3.41Å; E506-R671 IonicContact OE1-CZ 2.71Å; E506-R671 IonicContact OE1-NH1 3.54Å; E506-R671 PolarHBondContact OE1-NH1 3.28Å; E506-R671 VanDerWaalsContact OE1-NH1 3.16Å; E506-R671 IonicContact OE1-NH2 3.7Å; E506-R671 IonicContact OE2-CZ 2.64Å; E506-R671 IonicContact OE2-NE 3.82Å; E506-R671 IonicContact OE2-NH1 3.61Å; E506-R671 PolarHBondContact OE2-NH1 3.47Å; E667-R671 PolarHBondContact O-N 3.07Å; L668-R671 PolarHBondContact O-N 3.27Å; R671-D691 IonicContact CZ-OD1 3.44Å; R671-D691 VanDerWaalsContact CZ-OD1 3.29Å; R671-D691 IonicContact NE-OD1 2.67Å; R671-D691 PolarHBondContact NE-OD1 3.25Å; R671-D691 IonicContact NH2-OD1 3.49Å; R671-D691 PolarHBondContact NH2-OD1 3.46Å; R671-V695 HydrophobicContact CG-CG2 4.2Å; R671-V695 WeakPolarHBondContact O-CG1 3.41Å |
| 672 | Y | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -93.2 | -4.1 | -171.8 | -57.1 | -72.4 | 0 | 0 | 0 | 114.5 | N507 L668 T670 I674 N675 V676 M682 R687 A690 D691 V695 | N507-Y672 PolarHBondContact ND2-OH 3.36Å; N507-Y672 VanDerWaalsContact ND2-OH 3.08Å; N507-Y672 PolarHBondContact OD1-OH 2.71Å; L668-Y672 HydrophobicContact CB-CD2 4.44Å; L668-Y672 HydrophobicContact CB-CE2 4.42Å; L668-Y672 HydrophobicContact CD2-CE2 4.18Å; L668-Y672 WeakPolarHBondContact O-CD2 3.39Å; L668-Y672 PolarHBondContact O-N 2.94Å; T670-Y672 PolarHBondContact O-N 3.31Å; Y672-I674 PolarHBondContact O-N 3.44Å; Y672-N675 PolarHBondContact O-N 3.24Å; Y672-V676 PolarHBondContact O-N 2.95Å; Y672-M682 HydrophobicContact CD1-CE 4.36Å; Y672-M682 HydrophobicContact CD1-SD 4Å; Y672-M682 HydrophobicContact CG-SD 3.97Å; Y672-R687 HydrophobicContact CD2-CG 4.46Å; Y672-R687 HydrophobicContact CE1-CB 4.02Å; Y672-R687 HydrophobicContact CE1-CG 4.18Å; Y672-R687 HydrophobicContact CE2-CB 4.45Å; Y672-R687 HydrophobicContact CE2-CG 4.07Å; Y672-A690 HydrophobicContact CD1-CB 4.16Å; Y672-A690 HydrophobicContact CE1-CB 4.11Å; Y672-D691 WeakPolarHBondContact CE1-OD1 2.86Å; Y672-D691 VanDerWaalsContact OH-CG 3.27Å; Y672-D691 PolarHBondContact OH-OD1 3.05Å; Y672-D691 VanDerWaalsContact OH-OD1 3.1Å; Y672-D691 PolarHBondContact OH-OD2 3.25Å; Y672-V695 HydrophobicContact CD1-CG1 3.92Å; Y672-V695 HydrophobicContact CD1-CG2 4.24Å; Y672-V695 HydrophobicContact CE1-CG1 4.48Å; Y672-V695 HydrophobicContact CE1-CG2 3.98Å |
| 673 | S | 95.3 | Very high | 94.9 | Very high | 70 Ų | 70 | 73.4 Ų | 73.4 | 49% | 0.49 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.4 | 178.2 | 60.9 | 0 | 0 | 0 | 0 | 114.6 | T669 T670 N675 | T669-S673 WeakPolarHBondContact O-CA 3.48Å; T669-S673 WeakPolarHBondContact O-CB 3.41Å; T669-S673 PolarHBondContact O-N 2.98Å; T669-S673 PolarHBondContact O-OG 2.83Å; T670-S673 PolarHBondContact O-OG 2.91Å; S673-N675 VanDerWaalsContact C-N 3.33Å |
| 674 | I | 90.6 | Very high | 95 | Very high | 115 Ų | 115 | 66.6 Ų | 66.6 | 59% | 0.59 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -27.7 | 174.9 | -171.7 | 166.9 | 0 | 0 | 0 | 113 | Y672 V695 | Y672-I674 PolarHBondContact O-N 3.44Å; I674-V695 HydrophobicContact CG2-CG1 3.66Å |
| 675 | N | 87.9 | Confident | 95 | Very high | 42 Ų | 42 | 63 Ų | 63 | 23% | 0.225 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -30.8 | -175.1 | -51.1 | 124.2 | 0 | 0 | 0 | 113.6 | Y672 S673 V695 Y698 | Y672-N675 PolarHBondContact O-N 3.24Å; S673-N675 VanDerWaalsContact C-N 3.33Å; N675-V695 PolarHBondContact ND2-O 3.36Å; N675-V695 WeakPolarHBondContact OD1-CG1 3.36Å; N675-V695 PolarHBondContact OD1-O 3.18Å; N675-Y698 HydrophobicContact CB-CD1 3.95Å; N675-Y698 HydrophobicContact CB-CG 4.1Å; N675-Y698 VanDerWaalsContact CG-CB 3.47Å; N675-Y698 WeakPolarHBondContact ND2-CB 3.42Å |
| 676 | V | 91.1 | Very high | 95 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | trans | -137.9 | 146.6 | -173.1 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | Y672 P679 M682 | Y672-V676 PolarHBondContact O-N 2.95Å; V676-P679 HydrophobicContact CG2-CB 4.22Å; V676-P679 HydrophobicContact CG2-CG 4.02Å; V676-M682 HydrophobicContact CG1-SD 4.45Å; V676-M682 HydrophobicContact CG2-CB 4.36Å; V676-M682 HydrophobicContact CG2-SD 3.89Å | ||
| 677 | L | 91.5 | Very high | 95.1 | Very high | 179 Ų | 179 | 59.8 Ų | 59.8 | 94% | 0.937 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -73.4 | -28.6 | 179.8 | -64.3 | 177.5 | 0 | 0 | 0 | 113.2 | P679 | L677-P679 VanDerWaalsContact C-CD 3.42Å; L677-P679 WeakPolarHBondContact O-CD 3.19Å |
| 678 | E | 94 | Very high | 95.1 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | trans | -123.2 | 69.9 | -179.9 | -64.1 | -175.6 | 111.7 | 0 | 0 | 109.7 | E680 K681 | E678-E680 WeakPolarHBondContact CA-OE2 3.43Å; E678-E680 WeakPolarHBondContact CB-OE1 3.34Å; E678-E680 PolarHBondContact O-N 3.07Å; E678-E680 VanDerWaalsContact O-N 3.07Å; E678-K681 HydrophobicContact CB-CB 4.41Å; E678-K681 HydrophobicContact CB-CD 4.1Å; E678-K681 HydrophobicContact CB-CG 4.21Å; E678-K681 PolarHBondContact O-N 3.01Å; E678-K681 WeakPolarHBondContact OE1-CE 3.49Å; E678-K681 IonicContact OE1-NZ 3.57Å; E678-K681 PolarHBondContact OE1-NZ 2.99Å; E678-K681 IonicContact OE2-NZ 3.76Å; E678-K681 PolarHBondContact OE2-NZ 3.07Å | ||
| 679 | P | 93.5 | Very high | 95.1 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -51.9 | -28 | 179.8 | -31.2 | 38.9 | 0 | 0 | 0 | 115.2 | T669 V676 L677 K681 M682 R687 | T669-P679 HydrophobicContact CG2-CB 4.32Å; T669-P679 HydrophobicContact CG2-CG 4.15Å; V676-P679 HydrophobicContact CG2-CB 4.22Å; V676-P679 HydrophobicContact CG2-CG 4.02Å; L677-P679 VanDerWaalsContact C-CD 3.42Å; L677-P679 WeakPolarHBondContact O-CD 3.19Å; P679-K681 PolarHBondContact O-N 3.29Å; P679-M682 WeakPolarHBondContact O-CB 3.42Å; P679-M682 PolarHBondContact O-N 3.13Å; P679-R687 PolarHBondContact O-NH2 2.66Å |
| 680 | E | 93.2 | Very high | 95.1 | Very high | 114 Ų | 114 | 52.7 Ų | 52.7 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -67.6 | -20.7 | 177.3 | 70.5 | -74.5 | 176.6 | 0 | 0 | 113.5 | E678 | E678-E680 WeakPolarHBondContact CA-OE2 3.43Å; E678-E680 WeakPolarHBondContact CB-OE1 3.34Å; E678-E680 PolarHBondContact O-N 3.07Å; E678-E680 VanDerWaalsContact O-N 3.07Å |
| 681 | K | 94.3 | Very high | 95 | Very high | 134 Ų | 134 | 48 Ų | 48 | 58% | 0.583 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -96.2 | -4.3 | 175.7 | -60.2 | -175.6 | -170.9 | 167.1 | 0 | 113.4 | E678 P679 K683 | E678-K681 HydrophobicContact CB-CB 4.41Å; E678-K681 HydrophobicContact CB-CD 4.1Å; E678-K681 HydrophobicContact CB-CG 4.21Å; E678-K681 PolarHBondContact O-N 3.01Å; E678-K681 WeakPolarHBondContact OE1-CE 3.49Å; E678-K681 IonicContact OE1-NZ 3.57Å; E678-K681 PolarHBondContact OE1-NZ 2.99Å; E678-K681 IonicContact OE2-NZ 3.76Å; E678-K681 PolarHBondContact OE2-NZ 3.07Å; P679-K681 PolarHBondContact O-N 3.29Å; K681-K683 PolarHBondContact O-N 3Å |
| 682 | M | 95.7 | Very high | 95 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 6% | 0.064 | 23% | 0.231 | C | C | . | . | trans | -68.5 | 122.6 | 179.3 | -167.1 | 172.9 | -174.8 | 0 | 0 | 110 | Y672 V676 P679 D686 R687 A690 Y698 | Y672-M682 HydrophobicContact CD1-CE 4.36Å; Y672-M682 HydrophobicContact CD1-SD 4Å; Y672-M682 HydrophobicContact CG-SD 3.97Å; V676-M682 HydrophobicContact CG1-SD 4.45Å; V676-M682 HydrophobicContact CG2-CB 4.36Å; V676-M682 HydrophobicContact CG2-SD 3.89Å; P679-M682 WeakPolarHBondContact O-CB 3.42Å; P679-M682 PolarHBondContact O-N 3.13Å; M682-D686 HydrophobicContact CE-CB 4.01Å; M682-D686 VanDerWaalsContact CE-O 3.29Å; M682-D686 WeakPolarHBondContact CE-O 3.48Å; M682-D686 HydrophobicContact CG-CB 4.08Å; M682-R687 HydrophobicContact CB-CG 4.34Å; M682-R687 HydrophobicContact CE-CG 4.42Å; M682-R687 HydrophobicContact CG-CG 3.83Å; M682-R687 PolarHBondContact O-NE 3.24Å; M682-R687 PolarHBondContact O-NH2 2.89Å; M682-R687 HydrophobicContact SD-CG 3.96Å; M682-A690 HydrophobicContact CE-CB 3.97Å; M682-Y698 HydrophobicContact CE-CE2 4.16Å | ||
| 683 | K | 97.3 | Very high | 94.9 | Very high | 73 Ų | 73 | 48.6 Ų | 48.6 | 32% | 0.317 | 24% | 0.244 | S | C | . | . | trans | -66.4 | 150.1 | 177.7 | -64.3 | 177.8 | 168.2 | -174.3 | 0 | 111.1 | D486 D654 K681 I685 D686 R687 | D486-K683 IonicContact OD2-NZ 3.21Å; D486-K683 PolarHBondContact OD2-NZ 2.97Å; D654-K683 WeakPolarHBondContact OD1-CA 3.46Å; K681-K683 PolarHBondContact O-N 3Å; K683-I685 VanDerWaalsContact C-N 3.27Å; K683-I685 HydrophobicContact CB-CG2 4.22Å; K683-I685 PolarHBondContact O-N 2.97Å; K683-D686 PolarHBondContact O-N 2.78Å; K683-R687 WeakPolarHBondContact O-CG 3.45Å; K683-R687 PolarHBondContact O-N 2.51Å | ||
| 684 | F | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56 | -39.5 | 179 | 178.4 | -106.9 | 0 | 0 | 0 | 112.7 | L504 N507 L509 L626 F653 D654 I657 D686 R687 M688 | L504-F684 HydrophobicContact CD2-CE2 4.44Å; L504-F684 HydrophobicContact CD2-CZ 3.84Å; L504-F684 HydrophobicContact CG-CZ 4.34Å; N507-F684 HydrophobicContact CB-CD2 4.42Å; N507-F684 HydrophobicContact CB-CE2 4.2Å; L509-F684 HydrophobicContact CD1-CD2 4.12Å; L509-F684 HydrophobicContact CD1-CE2 3.83Å; L509-F684 HydrophobicContact CD1-CZ 4.38Å; L626-F684 HydrophobicContact CD1-CE1 3.88Å; L626-F684 HydrophobicContact CD2-CE1 4.47Å; F653-F684 HydrophobicContact CB-CB 3.79Å; F653-F684 HydrophobicContact CB-CD1 3.6Å; F653-F684 HydrophobicContact CB-CD2 4.09Å; F653-F684 HydrophobicContact CB-CE1 4.21Å; F653-F684 HydrophobicContact CB-CG 3.52Å; F653-F684 HydrophobicContact CD1-CD1 4.15Å; F653-F684 AromaticContact CD1-CE1 3.94Å; F653-F684 HydrophobicContact CD1-CE1 3.94Å; F653-F684 HydrophobicContact CD1-CZ 4.29Å; F653-F684 HydrophobicContact CD2-CD1 4.22Å; F653-F684 AromaticContact CG-CD1 3.72Å; F653-F684 HydrophobicContact CG-CD1 3.72Å; F653-F684 AromaticContact CG-CE1 3.99Å; F653-F684 HydrophobicContact CG-CE1 3.99Å; F653-F684 HydrophobicContact CG-CG 4.18Å; D654-F684 WeakPolarHBondContact OD1-CB 3.41Å; D654-F684 PolarHBondContact OD1-N 3.48Å; I657-F684 HydrophobicContact CD1-CB 4.24Å; I657-F684 HydrophobicContact CD1-CD2 3.83Å; I657-F684 HydrophobicContact CD1-CG 4.48Å; F684-D686 PolarHBondContact O-N 2.86Å; F684-R687 WeakPolarHBondContact O-CB 3.48Å; F684-R687 PolarHBondContact O-N 2.79Å; F684-M688 HydrophobicContact CD1-CE 4.27Å; F684-M688 HydrophobicContact CE1-CE 3.48Å; F684-M688 VanDerWaalsContact CE1-CE 3.48Å; F684-M688 HydrophobicContact CZ-CE 4Å; F684-M688 PolarHBondContact O-N 2.94Å |
| 685 | I | 98.2 | Very high | 94.7 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | 176.8 | -167.5 | 163.6 | 0 | 0 | 0 | 112.8 | D486 F488 V647 K683 R687 M688 V689 | D486-I685 HydrophobicContact CB-CD1 4.06Å; D486-I685 HydrophobicContact CB-CG2 4.23Å; D486-I685 WeakPolarHBondContact O-CD1 3.48Å; F488-I685 HydrophobicContact CB-CD1 3.97Å; F488-I685 HydrophobicContact CB-CG1 3.97Å; V647-I685 HydrophobicContact CG1-CB 3.81Å; V647-I685 HydrophobicContact CG1-CD1 3.78Å; V647-I685 HydrophobicContact CG1-CG1 4.33Å; V647-I685 HydrophobicContact CG1-CG2 4.15Å; K683-I685 VanDerWaalsContact C-N 3.27Å; K683-I685 HydrophobicContact CB-CG2 4.22Å; K683-I685 PolarHBondContact O-N 2.97Å; I685-R687 VanDerWaalsContact C-N 3.32Å; I685-M688 WeakPolarHBondContact O-CB 3.34Å; I685-M688 PolarHBondContact O-N 2.66Å; I685-V689 WeakPolarHBondContact O-CG2 3.36Å; I685-V689 PolarHBondContact O-N 2.65Å; I685-V689 VanDerWaalsContact O-N 3.07Å |
| 686 | D | 96.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.9 | -33 | 176 | -61.7 | -45.7 | 0 | 0 | 0 | 110.7 | R458 M682 K683 F684 M688 V689 A690 | R458-D686 IonicContact NE-OD1 3.32Å; M682-D686 HydrophobicContact CE-CB 4.01Å; M682-D686 VanDerWaalsContact CE-O 3.29Å; M682-D686 WeakPolarHBondContact CE-O 3.48Å; M682-D686 HydrophobicContact CG-CB 4.08Å; K683-D686 PolarHBondContact O-N 2.78Å; F684-D686 PolarHBondContact O-N 2.86Å; D686-M688 VanDerWaalsContact C-N 3.33Å; D686-V689 WeakPolarHBondContact O-CB 3.29Å; D686-V689 PolarHBondContact O-N 3.24Å; D686-A690 PolarHBondContact O-N 3.13Å |
| 687 | R | 97.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 170.8 | -62.4 | 178.5 | -165.3 | -98.8 | -3.4 | 111.1 | N507 Y672 P679 M682 K683 F684 I685 V689 A690 D691 | N507-R687 WeakPolarHBondContact OD1-CD 3.38Å; Y672-R687 HydrophobicContact CD2-CG 4.46Å; Y672-R687 HydrophobicContact CE1-CB 4.02Å; Y672-R687 HydrophobicContact CE1-CG 4.18Å; Y672-R687 HydrophobicContact CE2-CB 4.45Å; Y672-R687 HydrophobicContact CE2-CG 4.07Å; P679-R687 PolarHBondContact O-NH2 2.66Å; M682-R687 HydrophobicContact CB-CG 4.34Å; M682-R687 HydrophobicContact CE-CG 4.42Å; M682-R687 HydrophobicContact CG-CG 3.83Å; M682-R687 PolarHBondContact O-NE 3.24Å; M682-R687 PolarHBondContact O-NH2 2.89Å; M682-R687 HydrophobicContact SD-CG 3.96Å; K683-R687 WeakPolarHBondContact O-CG 3.45Å; K683-R687 PolarHBondContact O-N 2.51Å; F684-R687 WeakPolarHBondContact O-CB 3.48Å; F684-R687 PolarHBondContact O-N 2.79Å; I685-R687 VanDerWaalsContact C-N 3.32Å; R687-V689 VanDerWaalsContact C-N 3.3Å; R687-V689 PolarHBondContact O-N 3.11Å; R687-A690 CarbonylContact O-C 3.59Å; R687-A690 WeakPolarHBondContact O-CA 3.29Å; R687-A690 WeakPolarHBondContact O-CB 3.37Å; R687-A690 PolarHBondContact O-N 2.99Å; R687-A690 VanDerWaalsContact O-N 3.08Å; R687-D691 WeakPolarHBondContact O-CB 3.42Å; R687-D691 PolarHBondContact O-N 3.16Å; R687-D691 VanDerWaalsContact O-OD2 3.13Å |
| 688 | M | 97.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 175 | -171.6 | -174.7 | -57.5 | 0 | 0 | 112.1 | F488 I500 S503 L626 V645 F684 I685 D686 D691 S692 | F488-M688 HydrophobicContact CD1-CB 4.47Å; F488-M688 HydrophobicContact CD1-CG 4Å; F488-M688 HydrophobicContact CD1-SD 3.91Å; F488-M688 HydrophobicContact CE1-CG 4.01Å; F488-M688 HydrophobicContact CE1-SD 4.39Å; I500-M688 HydrophobicContact CG1-CE 3.87Å; I500-M688 HydrophobicContact CG1-SD 4.1Å; S503-M688 WeakPolarHBondContact OG-CA 3.37Å; S503-M688 WeakPolarHBondContact OG-CG 3.3Å; L626-M688 HydrophobicContact CD1-CE 4.41Å; L626-M688 HydrophobicContact CD2-CE 4.34Å; V645-M688 HydrophobicContact CB-SD 4.37Å; V645-M688 HydrophobicContact CG1-CE 4.25Å; V645-M688 HydrophobicContact CG1-SD 4.08Å; V645-M688 HydrophobicContact CG2-SD 4.24Å; F684-M688 HydrophobicContact CD1-CE 4.27Å; F684-M688 HydrophobicContact CE1-CE 3.48Å; F684-M688 VanDerWaalsContact CE1-CE 3.48Å; F684-M688 HydrophobicContact CZ-CE 4Å; F684-M688 PolarHBondContact O-N 2.94Å; I685-M688 WeakPolarHBondContact O-CB 3.34Å; I685-M688 PolarHBondContact O-N 2.66Å; D686-M688 VanDerWaalsContact C-N 3.33Å; M688-D691 PolarHBondContact O-N 3.04Å; M688-S692 WeakPolarHBondContact O-CB 3.48Å; M688-S692 PolarHBondContact O-N 3.15Å |
| 689 | V | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 172.1 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | R458 F488 I685 D686 R687 S692 Y698 S701 | R458-V689 HydrophobicContact CB-CG2 3.78Å; R458-V689 HydrophobicContact CG-CG2 3.62Å; F488-V689 HydrophobicContact CB-CG2 4.49Å; F488-V689 HydrophobicContact CD1-CG2 3.97Å; F488-V689 HydrophobicContact CD2-CG2 3.71Å; F488-V689 HydrophobicContact CE1-CG2 4.09Å; F488-V689 HydrophobicContact CE2-CG2 3.86Å; F488-V689 HydrophobicContact CG-CG2 3.79Å; F488-V689 HydrophobicContact CZ-CB 4.43Å; F488-V689 HydrophobicContact CZ-CG2 4.05Å; I685-V689 WeakPolarHBondContact O-CG2 3.36Å; I685-V689 PolarHBondContact O-N 2.65Å; I685-V689 VanDerWaalsContact O-N 3.07Å; D686-V689 WeakPolarHBondContact O-CB 3.29Å; D686-V689 PolarHBondContact O-N 3.24Å; R687-V689 VanDerWaalsContact C-N 3.3Å; R687-V689 PolarHBondContact O-N 3.11Å; V689-S692 WeakPolarHBondContact O-CB 3.44Å; V689-S692 PolarHBondContact O-N 3.06Å; V689-S692 PolarHBondContact O-OG 2.82Å; V689-Y698 HydrophobicContact CB-CE2 4.09Å; V689-Y698 HydrophobicContact CG1-CD2 4.32Å; V689-Y698 HydrophobicContact CG1-CE2 3.8Å; V689-S701 WeakPolarHBondContact O-CB 3.3Å |
| 690 | A | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y672 M682 D686 R687 S692 R693 V695 Y698 | Y672-A690 HydrophobicContact CD1-CB 4.16Å; Y672-A690 HydrophobicContact CE1-CB 4.11Å; M682-A690 HydrophobicContact CE-CB 3.97Å; D686-A690 PolarHBondContact O-N 3.13Å; R687-A690 CarbonylContact O-C 3.59Å; R687-A690 WeakPolarHBondContact O-CA 3.29Å; R687-A690 WeakPolarHBondContact O-CB 3.37Å; R687-A690 PolarHBondContact O-N 2.99Å; R687-A690 VanDerWaalsContact O-N 3.08Å; A690-S692 PolarHBondContact O-N 3.48Å; A690-R693 PolarHBondContact O-N 3.22Å; A690-R693 VanDerWaalsContact O-N 3.16Å; A690-V695 HydrophobicContact CB-CG1 4.34Å; A690-V695 HydrophobicContact CB-CG2 4.26Å; A690-V695 VanDerWaalsContact O-CA 3.3Å; A690-V695 WeakPolarHBondContact O-CA 3.37Å; A690-V695 PolarHBondContact O-N 2.86Å; A690-Y698 HydrophobicContact CB-CD2 3.52Å; A690-Y698 HydrophobicContact CB-CE2 3.87Å; A690-Y698 HydrophobicContact CB-CG 4.49Å |
| 691 | D | 96.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -25 | 179.2 | -67.2 | -34.5 | 0 | 0 | 0 | 111.6 | N507 R671 Y672 R687 M688 R693 V695 | N507-D691 PolarHBondContact ND2-OD2 3.2Å; R671-D691 IonicContact CZ-OD1 3.44Å; R671-D691 VanDerWaalsContact CZ-OD1 3.29Å; R671-D691 IonicContact NE-OD1 2.67Å; R671-D691 PolarHBondContact NE-OD1 3.25Å; R671-D691 IonicContact NH2-OD1 3.49Å; R671-D691 PolarHBondContact NH2-OD1 3.46Å; Y672-D691 WeakPolarHBondContact CE1-OD1 2.86Å; Y672-D691 VanDerWaalsContact OH-CG 3.27Å; Y672-D691 PolarHBondContact OH-OD1 3.05Å; Y672-D691 VanDerWaalsContact OH-OD1 3.1Å; Y672-D691 PolarHBondContact OH-OD2 3.25Å; R687-D691 WeakPolarHBondContact O-CB 3.42Å; R687-D691 PolarHBondContact O-N 3.16Å; R687-D691 VanDerWaalsContact O-OD2 3.13Å; M688-D691 PolarHBondContact O-N 3.04Å; D691-R693 PolarHBondContact O-N 2.89Å; D691-V695 WeakPolarHBondContact OD1-CG2 3.15Å |
| 692 | S | 95.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18 | 175.3 | 81.9 | 0 | 0 | 0 | 0 | 114.7 | M688 V689 A690 | M688-S692 WeakPolarHBondContact O-CB 3.48Å; M688-S692 PolarHBondContact O-N 3.15Å; V689-S692 WeakPolarHBondContact O-CB 3.44Å; V689-S692 PolarHBondContact O-N 3.06Å; V689-S692 PolarHBondContact O-OG 2.82Å; A690-S692 PolarHBondContact O-N 3.48Å |
| 693 | R | 93.6 | Very high | 93.4 | Very high | 69 Ų | 69 | 32 Ų | 32 | 26% | 0.26 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | 43.1 | 178.1 | -57.7 | -69.4 | -176.9 | -91 | 0.7 | 112.8 | E491 Y499 A690 D691 V695 L697 S701 | E491-R693 IonicContact OE1-CZ 3.56Å; E491-R693 IonicContact OE1-NH1 2.7Å; E491-R693 IonicContact OE1-NH2 3.1Å; E491-R693 PolarHBondContact OE1-NH2 3.46Å; Y499-R693 PolarHBondContact OH-NH1 3.3Å; A690-R693 PolarHBondContact O-N 3.22Å; A690-R693 VanDerWaalsContact O-N 3.16Å; D691-R693 PolarHBondContact O-N 2.89Å; R693-V695 PolarHBondContact O-N 3.11Å; R693-L697 HydrophobicContact CB-CB 3.77Å; R693-L697 WeakPolarHBondContact O-CB 3.32Å; R693-L697 PolarHBondContact O-N 2.84Å; R693-S701 VanDerWaalsContact CB-OG 3.31Å; R693-S701 WeakPolarHBondContact CB-OG 3.49Å; R693-S701 VanDerWaalsContact CG-OG 3.28Å; R693-S701 WeakPolarHBondContact CG-OG 3.44Å |
| 694 | S | 90.5 | Very high | 93.4 | Very high | 105 Ų | 105 | 31 Ų | 31 | 73% | 0.734 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 22.7 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 114.9 | G696 | S694-G696 PolarHBondContact O-N 3.47Š|
| 695 | V | 91.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | -42 | 178.6 | -170.9 | 0 | 0 | 0 | 0 | 114.1 | R671 Y672 I674 N675 A690 D691 R693 L697 Y698 | R671-V695 HydrophobicContact CG-CG2 4.2Å; R671-V695 WeakPolarHBondContact O-CG1 3.41Å; Y672-V695 HydrophobicContact CD1-CG1 3.92Å; Y672-V695 HydrophobicContact CD1-CG2 4.24Å; Y672-V695 HydrophobicContact CE1-CG1 4.48Å; Y672-V695 HydrophobicContact CE1-CG2 3.98Å; I674-V695 HydrophobicContact CG2-CG1 3.66Å; N675-V695 PolarHBondContact ND2-O 3.36Å; N675-V695 WeakPolarHBondContact OD1-CG1 3.36Å; N675-V695 PolarHBondContact OD1-O 3.18Å; A690-V695 HydrophobicContact CB-CG1 4.34Å; A690-V695 HydrophobicContact CB-CG2 4.26Å; A690-V695 VanDerWaalsContact O-CA 3.3Å; A690-V695 WeakPolarHBondContact O-CA 3.37Å; A690-V695 PolarHBondContact O-N 2.86Å; D691-V695 WeakPolarHBondContact OD1-CG2 3.15Å; R693-V695 PolarHBondContact O-N 3.11Å; V695-L697 VanDerWaalsContact C-N 3.27Å; V695-L697 PolarHBondContact O-N 3.4Å; V695-Y698 WeakPolarHBondContact O-CB 3.5Å; V695-Y698 PolarHBondContact O-N 2.99Å |
| 696 | G | 90 | Very high | 93.4 | Very high | 38 Ų | 38 | 32.8 Ų | 32.8 | 39% | 0.392 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | S694 | S694-G696 PolarHBondContact O-N 3.47Š|
| 697 | L | 90.5 | Very high | 93.5 | Very high | 93 Ų | 93 | 32.8 Ų | 32.8 | 49% | 0.487 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 26.9 | 178 | -62.4 | 172.9 | 0 | 0 | 0 | 112.5 | R693 V695 H699 T700 S701 | R693-L697 HydrophobicContact CB-CB 3.77Å; R693-L697 WeakPolarHBondContact O-CB 3.32Å; R693-L697 PolarHBondContact O-N 2.84Å; V695-L697 VanDerWaalsContact C-N 3.27Å; V695-L697 PolarHBondContact O-N 3.4Å; L697-H699 PolarHBondContact O-N 2.82Å; L697-H699 VanDerWaalsContact O-N 3.16Å; L697-T700 CarbonylContact O-C 3.59Å; L697-T700 PolarHBondContact O-N 3.09Å; L697-T700 PolarHBondContact O-OG1 2.94Å; L697-S701 PolarHBondContact O-N 2.97Å; L697-S701 VanDerWaalsContact O-N 3.14Å; L697-S701 PolarHBondContact O-OG 3.38Å |
| 698 | Y | 88 | Confident | 93.5 | Very high | 47 Ų | 47 | 32.6 Ų | 32.6 | 18% | 0.184 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -52.1 | -40.1 | -179.7 | -173.1 | -111.8 | 0 | 0 | 0 | 113.7 | N675 M682 V689 A690 V695 T700 S701 | N675-Y698 HydrophobicContact CB-CD1 3.95Å; N675-Y698 HydrophobicContact CB-CG 4.1Å; N675-Y698 VanDerWaalsContact CG-CB 3.47Å; N675-Y698 WeakPolarHBondContact ND2-CB 3.42Å; M682-Y698 HydrophobicContact CE-CE2 4.16Å; V689-Y698 HydrophobicContact CB-CE2 4.09Å; V689-Y698 HydrophobicContact CG1-CD2 4.32Å; V689-Y698 HydrophobicContact CG1-CE2 3.8Å; A690-Y698 HydrophobicContact CB-CD2 3.52Å; A690-Y698 HydrophobicContact CB-CE2 3.87Å; A690-Y698 HydrophobicContact CB-CG 4.49Å; V695-Y698 WeakPolarHBondContact O-CB 3.5Å; V695-Y698 PolarHBondContact O-N 2.99Å; Y698-T700 PolarHBondContact O-N 3.32Å; Y698-S701 WeakPolarHBondContact CA-OG 3.41Å; Y698-S701 VanDerWaalsContact O-CB 3.24Å; Y698-S701 WeakPolarHBondContact O-CB 3.47Å; Y698-S701 PolarHBondContact O-N 2.75Å; Y698-S701 PolarHBondContact O-OG 2.98Å |
| 699 | H | 83.6 | Confident | 93.6 | Very high | 123 Ų | 123 | 32.6 Ų | 32.6 | 57% | 0.569 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -65 | -18.4 | -179.1 | 68.1 | -74 | 0 | 0 | 0 | 114.2 | L697 | L697-H699 PolarHBondContact O-N 2.82Å; L697-H699 VanDerWaalsContact O-N 3.16Å |
| 700 | T | 86.3 | Confident | 93.6 | Very high | 41 Ų | 41 | 32.6 Ų | 32.6 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -114.6 | 16.5 | 171.8 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | Y453 L697 Y698 | Y453-T700 HydrophobicContact CD1-CG2 4.22Å; Y453-T700 HydrophobicContact CE1-CG2 3.75Å; Y453-T700 HydrophobicContact CE2-CG2 4.32Å; L697-T700 CarbonylContact O-C 3.59Å; L697-T700 PolarHBondContact O-N 3.09Å; L697-T700 PolarHBondContact O-OG1 2.94Å; Y698-T700 PolarHBondContact O-N 3.32Å |
| 701 | S | 89.9 | Confident | 93.8 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | trans | -79.1 | 164.3 | 174.9 | -60 | 0 | 0 | 0 | 0 | 111.1 | V689 R693 L697 Y698 | V689-S701 WeakPolarHBondContact O-CB 3.3Å; R693-S701 VanDerWaalsContact CB-OG 3.31Å; R693-S701 WeakPolarHBondContact CB-OG 3.49Å; R693-S701 VanDerWaalsContact CG-OG 3.28Å; R693-S701 WeakPolarHBondContact CG-OG 3.44Å; L697-S701 PolarHBondContact O-N 2.97Å; L697-S701 VanDerWaalsContact O-N 3.14Å; L697-S701 PolarHBondContact O-OG 3.38Å; Y698-S701 WeakPolarHBondContact CA-OG 3.41Å; Y698-S701 VanDerWaalsContact O-CB 3.24Å; Y698-S701 WeakPolarHBondContact O-CB 3.47Å; Y698-S701 PolarHBondContact O-N 2.75Å; Y698-S701 PolarHBondContact O-OG 2.98Å | ||
| 702 | G | 90.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 103.9 | 162.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S457 | S457-G702 VanDerWaalsContact O-CA 3.25Å; S457-G702 WeakPolarHBondContact O-CA 3.43Å |
| 703 | L | 96.4 | Very high | 94 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | -70.5 | 146.1 | 171.8 | -170.4 | 63.8 | 0 | 0 | 0 | 110.4 | P489 E491 L642 Q707 Q708 | P489-L703 HydrophobicContact CB-CB 3.87Å; P489-L703 HydrophobicContact CB-CD2 3.55Å; P489-L703 HydrophobicContact CB-CG 4.37Å; E491-L703 HydrophobicContact CG-CD1 3.82Å; L642-L703 HydrophobicContact CD2-CD2 4.45Å; L703-Q707 HydrophobicContact CD1-CB 4.07Å; L703-Q707 HydrophobicContact CD1-CG 4.48Å; L703-Q707 VanDerWaalsContact CD1-OE1 3.28Å; L703-Q707 HydrophobicContact CD2-CB 3.81Å; L703-Q707 HydrophobicContact CG-CB 3.71Å; L703-Q708 HydrophobicContact CB-CG 4.1Å; L703-Q708 HydrophobicContact CD2-CG 4.19Å; L703-Q708 HydrophobicContact CG-CG 4.34Å; L703-Q708 PolarHBondContact O-NE2 3.38Å | ||
| 704 | S | 96.5 | Very high | 94.3 | Very high | 51 Ų | 51 | 28.4 Ų | 28.4 | 36% | 0.357 | 17% | 0.17 | S | C | . | . | trans | -58.5 | 145.2 | 178.1 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | P706 Q707 Q708 | S704-P706 VanDerWaalsContact C-CD 3.46Å; S704-Q707 WeakPolarHBondContact O-CB 3.38Å; S704-Q707 PolarHBondContact O-N 3.5Å; S704-Q707 VanDerWaalsContact O-N 3.16Å; S704-Q707 WeakPolarHBondContact OG-CB 3.36Å; S704-Q707 VanDerWaalsContact OG-CG 3.29Å; S704-Q707 WeakPolarHBondContact OG-CG 3.36Å; S704-Q707 PolarHBondContact OG-OE1 3.46Å; S704-Q708 PolarHBondContact O-N 2.67Å | ||
| 705 | T | 98.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 6% | 0.055 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.1 | -35.6 | -177.6 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | G447 G450 P454 L460 Q707 Q708 I709 | G447-T705 CarbonylContact O-C 3.3Å; G447-T705 WeakPolarHBondContact O-CB 3.46Å; G447-T705 PolarHBondContact O-OG1 2.95Å; G450-T705 WeakPolarHBondContact CA-OG1 3.43Å; P454-T705 HydrophobicContact CB-CG2 3.98Å; L460-T705 HydrophobicContact CD1-CG2 4.12Å; L460-T705 HydrophobicContact CD2-CG2 4.19Å; L460-T705 HydrophobicContact CG-CG2 4.41Å; T705-Q707 VanDerWaalsContact C-N 3.31Å; T705-Q707 PolarHBondContact O-N 3.43Å; T705-Q708 PolarHBondContact O-N 2.99Å; T705-I709 WeakPolarHBondContact O-CG1 3.19Å; T705-I709 PolarHBondContact O-N 2.94Å |
| 706 | P | 98.4 | Very high | 95 | Very high | 32 Ų | 32 | 23.1 Ų | 23.1 | 21% | 0.208 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.1 | -35.4 | 177 | -20.5 | 33.9 | 0 | 0 | 0 | 112.2 | F374 G447 S704 I709 M710 | F374-P706 HydrophobicContact CE2-CB 4.26Å; F374-P706 WeakPolarHBondContact CE2-O 3.41Å; F374-P706 HydrophobicContact CZ-CB 3.93Å; G447-P706 VanDerWaalsContact O-CA 3.28Å; G447-P706 WeakPolarHBondContact O-CA 3.43Å; G447-P706 WeakPolarHBondContact O-CD 3.34Å; G447-P706 WeakPolarHBondContact O-CG 3.49Å; S704-P706 VanDerWaalsContact C-CD 3.46Å; P706-I709 PolarHBondContact O-N 3.02Å; P706-M710 PolarHBondContact O-N 3.44Å |
| 707 | Q | 98.3 | Very high | 95.4 | Very high | 39 Ų | 39 | 22 Ų | 22 | 18% | 0.182 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 174 | -75.2 | 174.9 | -67 | 0 | 0 | 111.5 | W640 R641 L642 L703 S704 T705 I709 M710 E711 | W640-Q707 PolarHBondContact O-NE2 2.94Å; R641-Q707 PolarHBondContact O-NE2 3.47Å; L642-Q707 HydrophobicContact CD2-CB 3.49Å; L642-Q707 VanDerWaalsContact CD2-CB 3.49Å; L642-Q707 HydrophobicContact CD2-CG 3.79Å; L703-Q707 HydrophobicContact CD1-CB 4.07Å; L703-Q707 HydrophobicContact CD1-CG 4.48Å; L703-Q707 VanDerWaalsContact CD1-OE1 3.28Å; L703-Q707 HydrophobicContact CD2-CB 3.81Å; L703-Q707 HydrophobicContact CG-CB 3.71Å; S704-Q707 WeakPolarHBondContact O-CB 3.38Å; S704-Q707 PolarHBondContact O-N 3.5Å; S704-Q707 VanDerWaalsContact O-N 3.16Å; S704-Q707 WeakPolarHBondContact OG-CB 3.36Å; S704-Q707 VanDerWaalsContact OG-CG 3.29Å; S704-Q707 WeakPolarHBondContact OG-CG 3.36Å; S704-Q707 PolarHBondContact OG-OE1 3.46Å; T705-Q707 VanDerWaalsContact C-N 3.31Å; T705-Q707 PolarHBondContact O-N 3.43Å; Q707-I709 PolarHBondContact O-N 3.06Å; Q707-M710 WeakPolarHBondContact O-CB 3.5Å; Q707-M710 PolarHBondContact O-N 3.22Å; Q707-M710 VanDerWaalsContact O-N 3.15Å; Q707-E711 PolarHBondContact O-N 3.43Å |
| 708 | Q | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 174.4 | -65.6 | -172.7 | 40.6 | 0 | 0 | 111.9 | P489 L703 S704 T705 M710 E711 V712 | P489-Q708 HydrophobicContact CB-CG 4.24Å; P489-Q708 HydrophobicContact CG-CG 4.33Å; L703-Q708 HydrophobicContact CB-CG 4.1Å; L703-Q708 HydrophobicContact CD2-CG 4.19Å; L703-Q708 HydrophobicContact CG-CG 4.34Å; L703-Q708 PolarHBondContact O-NE2 3.38Å; S704-Q708 PolarHBondContact O-N 2.67Å; T705-Q708 PolarHBondContact O-N 2.99Å; Q708-M710 VanDerWaalsContact C-N 3.29Å; Q708-M710 PolarHBondContact O-N 3.27Å; Q708-E711 WeakPolarHBondContact O-CB 3.28Å; Q708-E711 PolarHBondContact O-N 2.83Å; Q708-V712 WeakPolarHBondContact O-CG2 3.45Å; Q708-V712 PolarHBondContact O-N 2.63Å |
| 709 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.4 | -33.2 | 176.7 | -58.3 | -46.1 | 0 | 0 | 0 | 111.5 | L444 V448 L460 T705 P706 Q707 E711 V712 L713 | L444-I709 HydrophobicContact CD2-CD1 4.18Å; L444-I709 HydrophobicContact CD2-CG2 3.81Å; V448-I709 HydrophobicContact CG1-CB 3.88Å; V448-I709 HydrophobicContact CG1-CG1 4.31Å; V448-I709 HydrophobicContact CG1-CG2 3.42Å; V448-I709 VanDerWaalsContact CG1-CG2 3.42Å; L460-I709 HydrophobicContact CD1-CD1 3.91Å; T705-I709 WeakPolarHBondContact O-CG1 3.19Å; T705-I709 PolarHBondContact O-N 2.94Å; P706-I709 PolarHBondContact O-N 3.02Å; Q707-I709 PolarHBondContact O-N 3.06Å; I709-E711 VanDerWaalsContact C-N 3.34Å; I709-E711 PolarHBondContact O-N 3.12Å; I709-V712 WeakPolarHBondContact O-CB 3.28Å; I709-V712 PolarHBondContact O-N 2.71Å; I709-L713 HydrophobicContact CG2-CD1 4.15Å; I709-L713 HydrophobicContact CG2-CG 4.21Å; I709-L713 VanDerWaalsContact O-CG 3.31Å; I709-L713 WeakPolarHBondContact O-CG 3.39Å; I709-L713 PolarHBondContact O-N 2.75Å |
| 710 | M | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 174.2 | -164.9 | 66 | -152.2 | 0 | 0 | 112.1 | A370 R371 F374 W640 L642 P706 Q707 Q708 L713 F714 | A370-M710 HydrophobicContact CB-CE 3.83Å; R371-M710 HydrophobicContact CB-CE 4.38Å; R371-M710 HydrophobicContact CG-CE 3.6Å; F374-M710 HydrophobicContact CB-SD 3.85Å; F374-M710 HydrophobicContact CD2-CB 4.39Å; F374-M710 HydrophobicContact CD2-SD 3.82Å; F374-M710 HydrophobicContact CE2-CB 4.4Å; F374-M710 HydrophobicContact CG-SD 3.85Å; W640-M710 HydrophobicContact CD2-CG 4.26Å; W640-M710 HydrophobicContact CE3-CB 4.3Å; W640-M710 HydrophobicContact CE3-CG 3.94Å; W640-M710 HydrophobicContact CH2-CG 4.4Å; W640-M710 HydrophobicContact CH2-SD 4.23Å; W640-M710 HydrophobicContact CZ2-SD 4.47Å; W640-M710 HydrophobicContact CZ3-CB 4.25Å; W640-M710 HydrophobicContact CZ3-CG 4.01Å; W640-M710 HydrophobicContact CZ3-SD 4.39Å; L642-M710 HydrophobicContact CD1-CB 3.99Å; L642-M710 HydrophobicContact CD1-CG 3.84Å; P706-M710 PolarHBondContact O-N 3.44Å; Q707-M710 WeakPolarHBondContact O-CB 3.5Å; Q707-M710 PolarHBondContact O-N 3.22Å; Q707-M710 VanDerWaalsContact O-N 3.15Å; Q708-M710 VanDerWaalsContact C-N 3.29Å; Q708-M710 PolarHBondContact O-N 3.27Å; M710-L713 PolarHBondContact O-N 3.23Å; M710-F714 HydrophobicContact CE-CD1 4.03Å; M710-F714 HydrophobicContact CE-CD2 4.18Å; M710-F714 HydrophobicContact CE-CE1 3.35Å; M710-F714 HydrophobicContact CE-CE2 3.58Å; M710-F714 HydrophobicContact CE-CG 4.4Å; M710-F714 HydrophobicContact CE-CZ 3.12Å; M710-F714 HydrophobicContact CG-CD2 4.2Å; M710-F714 HydrophobicContact CG-CE2 3.76Å; M710-F714 HydrophobicContact CG-CZ 4.26Å; M710-F714 VanDerWaalsContact O-CD2 3.28Å; M710-F714 WeakPolarHBondContact O-CD2 3.33Å; M710-F714 PolarHBondContact O-N 2.94Å |
| 711 | E | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 171.4 | -67.1 | 179.8 | 168.3 | 0 | 0 | 111.3 | I467 Y631 L642 G643 Q707 Q708 I709 L713 F714 S715 | I467-E711 HydrophobicContact CD1-CB 3.91Å; I467-E711 HydrophobicContact CG1-CB 4.46Å; Y631-E711 HydrophobicContact CD2-CB 4.37Å; Y631-E711 HydrophobicContact CD2-CG 3.81Å; Y631-E711 HydrophobicContact CE1-CB 4.49Å; Y631-E711 HydrophobicContact CE2-CB 3.95Å; Y631-E711 HydrophobicContact CE2-CG 3.8Å; Y631-E711 HydrophobicContact CG-CG 4.38Å; L642-E711 WeakPolarHBondContact CA-OE1 3.04Å; L642-E711 HydrophobicContact CB-CG 3.87Å; L642-E711 WeakPolarHBondContact CB-OE1 3.21Å; L642-E711 HydrophobicContact CD1-CG 4.12Å; L642-E711 HydrophobicContact CD2-CG 4.15Å; L642-E711 HydrophobicContact CG-CG 4.25Å; G643-E711 PolarHBondContact N-OE1 3.35Å; Q707-E711 PolarHBondContact O-N 3.43Å; Q708-E711 WeakPolarHBondContact O-CB 3.28Å; Q708-E711 PolarHBondContact O-N 2.83Å; I709-E711 VanDerWaalsContact C-N 3.34Å; I709-E711 PolarHBondContact O-N 3.12Å; E711-L713 VanDerWaalsContact C-N 3.31Å; E711-L713 PolarHBondContact O-N 3.45Å; E711-F714 PolarHBondContact O-N 3.05Å; E711-S715 WeakPolarHBondContact O-CB 3.39Å; E711-S715 PolarHBondContact O-N 3.33Å; E711-S715 PolarHBondContact O-OG 2.64Å; E711-S715 VanDerWaalsContact O-OG 3.07Å |
| 712 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.1 | -45.1 | 175.5 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | F440 L444 S463 V466 I467 Q708 I709 S715 L716 | F440-V712 HydrophobicContact CZ-CG1 4.33Å; L444-V712 HydrophobicContact CD2-CG1 3.99Å; S463-V712 VanDerWaalsContact CB-CG2 3.44Å; S463-V712 WeakPolarHBondContact OG-CG2 3.35Å; V466-V712 HydrophobicContact CB-CG1 4.34Å; V466-V712 HydrophobicContact CG1-CG1 4.06Å; V466-V712 HydrophobicContact CG2-CG1 4.44Å; I467-V712 HydrophobicContact CD1-CG2 4.31Å; I467-V712 HydrophobicContact CG1-CG2 4.3Å; Q708-V712 WeakPolarHBondContact O-CG2 3.45Å; Q708-V712 PolarHBondContact O-N 2.63Å; I709-V712 WeakPolarHBondContact O-CB 3.28Å; I709-V712 PolarHBondContact O-N 2.71Å; V712-S715 WeakPolarHBondContact O-CB 3.41Å; V712-S715 PolarHBondContact O-N 2.87Å; V712-L716 HydrophobicContact CG1-CD1 3.72Å; V712-L716 HydrophobicContact CG1-CG 4.43Å; V712-L716 WeakPolarHBondContact O-CB 3.25Å; V712-L716 WeakPolarHBondContact O-CD1 3.39Å; V712-L716 VanDerWaalsContact O-CG 3.22Å; V712-L716 WeakPolarHBondContact O-CG 3.49Å; V712-L716 PolarHBondContact O-N 3.11Å |
| 713 | L | 98.8 | Very high | 96 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.9 | -40.4 | 179.4 | -69.1 | 172.9 | 0 | 0 | 0 | 112 | A370 A373 F374 I377 F421 L422 I709 M710 E711 L716 T717 | A370-L713 HydrophobicContact CB-CB 4.01Å; A373-L713 HydrophobicContact CB-CD1 4.43Å; A373-L713 HydrophobicContact CB-CD2 4.18Å; F374-L713 HydrophobicContact CB-CD1 3.58Å; F374-L713 HydrophobicContact CD2-CD1 3.91Å; F374-L713 HydrophobicContact CG-CD1 4.25Å; I377-L713 HydrophobicContact CD1-CD1 4.19Å; I377-L713 HydrophobicContact CD1-CD2 4.05Å; F421-L713 HydrophobicContact CE1-CD2 4.25Å; L422-L713 HydrophobicContact CD2-CD2 4.49Å; I709-L713 HydrophobicContact CG2-CD1 4.15Å; I709-L713 HydrophobicContact CG2-CG 4.21Å; I709-L713 VanDerWaalsContact O-CG 3.31Å; I709-L713 WeakPolarHBondContact O-CG 3.39Å; I709-L713 PolarHBondContact O-N 2.75Å; M710-L713 PolarHBondContact O-N 3.23Å; E711-L713 VanDerWaalsContact C-N 3.31Å; E711-L713 PolarHBondContact O-N 3.45Å; L713-L716 HydrophobicContact CD2-CD1 4.47Å; L713-L716 PolarHBondContact O-N 2.99Å; L713-T717 WeakPolarHBondContact O-CG2 3.44Å; L713-T717 PolarHBondContact O-N 2.85Å; L713-T717 VanDerWaalsContact O-N 3.07Å |
| 714 | F | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 172.1 | -74.1 | -43.1 | 0 | 0 | 0 | 111.6 | N367 A370 Y631 F635 A637 L642 M710 E711 L716 T717 | N367-F714 HydrophobicContact CB-CD1 4.05Å; N367-F714 HydrophobicContact CB-CE1 3.8Å; A370-F714 HydrophobicContact CB-CD1 3.37Å; A370-F714 HydrophobicContact CB-CE1 3.65Å; A370-F714 HydrophobicContact CB-CG 4.25Å; Y631-F714 HydrophobicContact CD1-CB 3.72Å; Y631-F714 HydrophobicContact CD1-CD2 4.07Å; Y631-F714 HydrophobicContact CD1-CG 4.3Å; Y631-F714 HydrophobicContact CE1-CB 3.95Å; F635-F714 HydrophobicContact CB-CD1 3.74Å; F635-F714 HydrophobicContact CB-CD2 4.18Å; F635-F714 HydrophobicContact CB-CE1 3.76Å; F635-F714 HydrophobicContact CB-CE2 4.16Å; F635-F714 HydrophobicContact CB-CG 3.98Å; F635-F714 HydrophobicContact CB-CZ 3.94Å; F635-F714 HydrophobicContact CD1-CB 3.92Å; F635-F714 AromaticContact CD1-CD1 3.57Å; F635-F714 HydrophobicContact CD1-CD1 3.57Å; F635-F714 HydrophobicContact CD1-CE1 4.31Å; F635-F714 AromaticContact CD1-CG 3.89Å; F635-F714 HydrophobicContact CD1-CG 3.89Å; F635-F714 HydrophobicContact CD2-CB 4.04Å; F635-F714 HydrophobicContact CD2-CG 4.15Å; F635-F714 HydrophobicContact CE1-CB 3.91Å; F635-F714 HydrophobicContact CE1-CD1 4.29Å; F635-F714 HydrophobicContact CE1-CG 4.39Å; F635-F714 HydrophobicContact CE2-CB 4.02Å; F635-F714 HydrophobicContact CG-CB 3.97Å; F635-F714 AromaticContact CG-CD1 3.71Å; F635-F714 HydrophobicContact CG-CD1 3.71Å; F635-F714 HydrophobicContact CG-CD2 4.28Å; F635-F714 HydrophobicContact CG-CE1 4.26Å; F635-F714 AromaticContact CG-CG 3.74Å; F635-F714 HydrophobicContact CG-CG 3.74Å; F635-F714 HydrophobicContact CZ-CB 3.95Å; A637-F714 HydrophobicContact CB-CE2 3.74Å; A637-F714 HydrophobicContact CB-CZ 3.99Å; L642-F714 HydrophobicContact CD1-CD2 4.09Å; L642-F714 HydrophobicContact CD1-CE2 3.77Å; M710-F714 HydrophobicContact CE-CD1 4.03Å; M710-F714 HydrophobicContact CE-CD2 4.18Å; M710-F714 HydrophobicContact CE-CE1 3.35Å; M710-F714 HydrophobicContact CE-CE2 3.58Å; M710-F714 HydrophobicContact CE-CG 4.4Å; M710-F714 HydrophobicContact CE-CZ 3.12Å; M710-F714 HydrophobicContact CG-CD2 4.2Å; M710-F714 HydrophobicContact CG-CE2 3.76Å; M710-F714 HydrophobicContact CG-CZ 4.26Å; M710-F714 VanDerWaalsContact O-CD2 3.28Å; M710-F714 WeakPolarHBondContact O-CD2 3.33Å; M710-F714 PolarHBondContact O-N 2.94Å; E711-F714 PolarHBondContact O-N 3.05Å; F714-L716 VanDerWaalsContact C-N 3.32Å; F714-L716 PolarHBondContact O-N 3.44Å; F714-T717 PolarHBondContact O-N 2.7Å; F714-T717 VanDerWaalsContact O-N 3.16Å; F714-T717 PolarHBondContact O-OG1 3.07Å |
| 715 | S | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54 | -46.8 | 174.2 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | Y631 E711 V712 T717 H718 L719 | Y631-S715 PolarHBondContact OH-OG 3.13Å; E711-S715 WeakPolarHBondContact O-CB 3.39Å; E711-S715 PolarHBondContact O-N 3.33Å; E711-S715 PolarHBondContact O-OG 2.64Å; E711-S715 VanDerWaalsContact O-OG 3.07Å; V712-S715 WeakPolarHBondContact O-CB 3.41Å; V712-S715 PolarHBondContact O-N 2.87Å; S715-T717 VanDerWaalsContact C-N 3.32Å; S715-T717 PolarHBondContact O-N 3.18Å; S715-H718 WeakPolarHBondContact O-CB 3.22Å; S715-H718 PolarHBondContact O-N 2.71Å; S715-H718 VanDerWaalsContact O-N 3.15Å; S715-L719 WeakPolarHBondContact O-CG 3.15Å; S715-L719 PolarHBondContact O-N 2.67Å |
| 716 | L | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.5 | -31.4 | -179.8 | -74.2 | 163.5 | 0 | 0 | 0 | 113.1 | F421 A425 Y428 F440 V466 V712 L713 F714 H718 L719 L720 | F421-L716 HydrophobicContact CE2-CB 4.32Å; F421-L716 HydrophobicContact CZ-CB 3.94Å; A425-L716 HydrophobicContact CB-CD1 3.8Å; A425-L716 HydrophobicContact CB-CD2 4.26Å; A425-L716 HydrophobicContact CB-CG 4.49Å; Y428-L716 HydrophobicContact CD1-CD2 4.09Å; F440-L716 HydrophobicContact CZ-CD1 4.3Å; V466-L716 HydrophobicContact CG1-CD1 4.49Å; V466-L716 HydrophobicContact CG1-CD2 3.98Å; V466-L716 HydrophobicContact CG1-CG 3.83Å; V712-L716 HydrophobicContact CG1-CD1 3.72Å; V712-L716 HydrophobicContact CG1-CG 4.43Å; V712-L716 WeakPolarHBondContact O-CB 3.25Å; V712-L716 WeakPolarHBondContact O-CD1 3.39Å; V712-L716 VanDerWaalsContact O-CG 3.22Å; V712-L716 WeakPolarHBondContact O-CG 3.49Å; V712-L716 PolarHBondContact O-N 3.11Å; L713-L716 HydrophobicContact CD2-CD1 4.47Å; L713-L716 PolarHBondContact O-N 2.99Å; F714-L716 VanDerWaalsContact C-N 3.32Å; F714-L716 PolarHBondContact O-N 3.44Å; L716-H718 PolarHBondContact O-N 2.67Å; L716-L719 PolarHBondContact O-N 2.88Å; L716-L720 HydrophobicContact CB-CD1 4.39Å; L716-L720 VanDerWaalsContact O-CB 3.27Å; L716-L720 WeakPolarHBondContact O-CB 3.38Å; L716-L720 WeakPolarHBondContact O-CG 3.32Å; L716-L720 PolarHBondContact O-N 3.43Å |
| 717 | T | 98.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -32.2 | 174.9 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | N367 K369 A370 F421 L713 F714 S715 | N367-T717 PolarHBondContact ND2-OG1 3.49Å; K369-T717 HydrophobicContact CB-CG2 4.04Å; K369-T717 HydrophobicContact CD-CG2 4.1Å; K369-T717 HydrophobicContact CG-CG2 4.1Å; A370-T717 HydrophobicContact CB-CG2 3.86Å; F421-T717 HydrophobicContact CE2-CG2 3.92Å; F421-T717 HydrophobicContact CZ-CG2 3.69Å; L713-T717 WeakPolarHBondContact O-CG2 3.44Å; L713-T717 PolarHBondContact O-N 2.85Å; L713-T717 VanDerWaalsContact O-N 3.07Å; F714-T717 PolarHBondContact O-N 2.7Å; F714-T717 VanDerWaalsContact O-N 3.16Å; F714-T717 PolarHBondContact O-OG1 3.07Å; S715-T717 VanDerWaalsContact C-N 3.32Å; S715-T717 PolarHBondContact O-N 3.18Å |
| 718 | H | 97.3 | Very high | 95.1 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 13% | 0.134 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -80.8 | -49.2 | 173.4 | 174 | 71.4 | 0 | 0 | 0 | 112.3 | Y470 S473 T474 S715 L716 L720 S721 D725 I728 | Y470-H718 HydrophobicContact CD2-CB 3.78Å; Y470-H718 AromaticContact CD2-CD2 3.57Å; Y470-H718 AromaticContact CD2-CG 3.88Å; Y470-H718 HydrophobicContact CE2-CB 3.59Å; Y470-H718 AromaticContact CE2-CD2 3.74Å; Y470-H718 AromaticContact CE2-CG 3.69Å; S473-H718 PolarHBondContact OG-CD2 3.45Å; S473-H718 PolarHBondContact OG-NE2 2.93Å; T474-H718 VanDerWaalsContact CG2-NE2 3.31Å; T474-H718 WeakPolarHBondContact CG2-NE2 3.37Å; S715-H718 WeakPolarHBondContact O-CB 3.22Å; S715-H718 PolarHBondContact O-N 2.71Å; S715-H718 VanDerWaalsContact O-N 3.15Å; L716-H718 PolarHBondContact O-N 2.67Å; H718-L720 PolarHBondContact O-N 3.04Å; H718-S721 WeakPolarHBondContact O-CB 3.45Å; H718-S721 PolarHBondContact O-N 3.49Å; H718-S721 PolarHBondContact O-OG 2.94Å; H718-D725 WeakPolarHBondContact CA-OD2 3.4Å; H718-D725 WeakPolarHBondContact CB-OD2 3.24Å; H718-D725 IonicContact CE1-OD2 2.85Å; H718-D725 IonicContact CG-OD2 3.75Å; H718-D725 IonicContact ND1-OD2 3.87Å; H718-D725 PolarHBondContact ND1-OD2 3.38Å; H718-I728 VanDerWaalsContact ND1-CD1 3.34Å; H718-I728 WeakPolarHBondContact ND1-CD1 3.26Å |
| 719 | L | 97.7 | Very high | 95 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 12% | 0.12 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -25.8 | -175.5 | -68.8 | 173.8 | 0 | 0 | 0 | 113.9 | Y428 V466 A469 S715 L716 | Y428-L719 HydrophobicContact CE1-CB 4.14Å; Y428-L719 HydrophobicContact CE1-CD1 3.94Å; Y428-L719 HydrophobicContact CE2-CB 4.29Å; V466-L719 HydrophobicContact CG1-CD1 4.03Å; A469-L719 HydrophobicContact CB-CD1 4.06Å; A469-L719 HydrophobicContact CB-CD2 4.36Å; S715-L719 WeakPolarHBondContact O-CG 3.15Å; S715-L719 PolarHBondContact O-N 2.67Å; L716-L719 PolarHBondContact O-N 2.88Å |
| 720 | L | 97.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 1.2 | 175.1 | -66.5 | 172.5 | 0 | 0 | 0 | 113.4 | F421 D424 A425 Y428 L716 H718 | F421-L720 HydrophobicContact CD2-CD1 3.69Å; F421-L720 HydrophobicContact CE2-CD1 3.54Å; F421-L720 HydrophobicContact CZ-CD1 4.42Å; D424-L720 HydrophobicContact CB-CD1 4.11Å; D424-L720 HydrophobicContact CB-CD2 4.14Å; A425-L720 HydrophobicContact CB-CD1 4.01Å; Y428-L720 HydrophobicContact CD2-CD2 4.02Å; Y428-L720 HydrophobicContact CG-CD2 3.92Å; L716-L720 HydrophobicContact CB-CD1 4.39Å; L716-L720 VanDerWaalsContact O-CB 3.27Å; L716-L720 WeakPolarHBondContact O-CB 3.38Å; L716-L720 WeakPolarHBondContact O-CG 3.32Å; L716-L720 PolarHBondContact O-N 3.43Å; H718-L720 PolarHBondContact O-N 3.04Å |
| 721 | S | 91.8 | Very high | 94.8 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -65.6 | 158.6 | 172.3 | 76.7 | 0 | 0 | 0 | 0 | 110.5 | H718 D725 | H718-S721 WeakPolarHBondContact O-CB 3.45Å; H718-S721 PolarHBondContact O-N 3.49Å; H718-S721 PolarHBondContact O-OG 2.94Å; S721-D725 WeakPolarHBondContact OG-CB 3.06Å |
| 722 | Q | 78.7 | Confident | 94.6 | Very high | 180 Ų | 180 | 50 Ų | 50 | 84% | 0.841 | 25% | 0.249 | S | C | * | . | trans | -74.6 | -156.8 | 176.1 | -63.4 | 179.2 | 7.1 | 0 | 0 | 109.6 | K724 | Q722-K724 PolarHBondContact O-N 3.36Š| ||
| 723 | E | 79.3 | Confident | 94.5 | Very high | 203 Ų | 203 | 52.4 Ų | 52.4 | 95% | 0.949 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -52.3 | -28 | 179.1 | -68.4 | -174.2 | 168.2 | 0 | 0 | 114.1 | ||
| 724 | K | 85.9 | Confident | 94.5 | Very high | 148 Ų | 148 | 53.7 Ų | 53.7 | 64% | 0.643 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -129.1 | 138.3 | 172.3 | -66.6 | -168.5 | 173 | -160.3 | 0 | 111.5 | Q722 V726 | Q722-K724 PolarHBondContact O-N 3.36Å; K724-V726 PolarHBondContact O-N 3.41Å |
| 725 | D | 94 | Very high | 94.3 | Very high | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.08 | 28% | 0.277 | C | S | . | . | trans | -81.5 | 98.3 | 173 | -172.5 | -15.9 | 0 | 0 | 0 | 110.9 | H718 S721 Y727 I728 E729 | H718-D725 WeakPolarHBondContact CA-OD2 3.4Å; H718-D725 WeakPolarHBondContact CB-OD2 3.24Å; H718-D725 IonicContact CE1-OD2 2.85Å; H718-D725 IonicContact CG-OD2 3.75Å; H718-D725 IonicContact ND1-OD2 3.87Å; H718-D725 PolarHBondContact ND1-OD2 3.38Å; S721-D725 WeakPolarHBondContact OG-CB 3.06Å; D725-Y727 PolarHBondContact O-N 3Å; D725-Y727 VanDerWaalsContact O-N 3.12Å; D725-Y727 VanDerWaalsContact OD1-CB 3.32Å; D725-Y727 WeakPolarHBondContact OD1-CB 3.07Å; D725-Y727 PolarHBondContact OD1-N 3.3Å; D725-I728 HydrophobicContact CB-CB 4.18Å; D725-I728 HydrophobicContact CB-CD1 4.12Å; D725-I728 HydrophobicContact CB-CG1 4.19Å; D725-I728 PolarHBondContact O-N 3.27Å; D725-I728 VanDerWaalsContact O-N 3.12Å; D725-I728 PolarHBondContact OD1-N 3.3Å; D725-I728 WeakPolarHBondContact OD2-CD1 3.02Å; D725-I728 WeakPolarHBondContact OD2-CG1 3.07Å; D725-E729 WeakPolarHBondContact O-CG 3.42Å; D725-E729 PolarHBondContact O-N 2.71Å | ||
| 726 | V | 95 | Very high | 94.2 | Very high | 107 Ų | 107 | 55.9 Ų | 55.9 | 65% | 0.648 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -53.9 | -32.4 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | K724 T730 | K724-V726 PolarHBondContact O-N 3.41Å; V726-T730 VanDerWaalsContact O-CB 3.25Å; V726-T730 WeakPolarHBondContact O-CB 3.42Å; V726-T730 PolarHBondContact O-N 3.01Å; V726-T730 PolarHBondContact O-OG1 3.41Å |
| 727 | Y | 96.7 | Very high | 94.1 | Very high | 48 Ų | 48 | 61 Ų | 61 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.1 | -45.9 | 179.5 | 179.2 | -97.6 | 0 | 0 | 0 | 111.7 | I366 N367 L634 F635 D725 T730 S731 | I366-Y727 VanDerWaalsContact C-OH 3.31Å; N367-Y727 HydrophobicContact CB-CE1 4.16Å; N367-Y727 HydrophobicContact CB-CE2 3.89Å; N367-Y727 PolarHBondContact N-OH 2.96Å; N367-Y727 VanDerWaalsContact N-OH 3.09Å; L634-Y727 HydrophobicContact CD1-CE1 4.24Å; L634-Y727 HydrophobicContact CG-CE1 4.28Å; L634-Y727 PolarHBondContact O-OH 2.97Å; L634-Y727 VanDerWaalsContact O-OH 3.11Å; F635-Y727 AromaticContact CD1-CE1 3.95Å; F635-Y727 HydrophobicContact CD1-CE1 3.95Å; F635-Y727 HydrophobicContact CE1-CE1 4.37Å; D725-Y727 PolarHBondContact O-N 3Å; D725-Y727 VanDerWaalsContact O-N 3.12Å; D725-Y727 VanDerWaalsContact OD1-CB 3.32Å; D725-Y727 WeakPolarHBondContact OD1-CB 3.07Å; D725-Y727 PolarHBondContact OD1-N 3.3Å; Y727-T730 PolarHBondContact O-N 3.3Å; Y727-S731 WeakPolarHBondContact O-CB 3.39Å; Y727-S731 PolarHBondContact O-N 2.96Å; Y727-S731 PolarHBondContact O-OG 3.45Å |
| 728 | I | 96.1 | Very high | 94.1 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 176.3 | -66.4 | 177.8 | 0 | 0 | 0 | 110 | L634 H718 D725 T730 S731 K732 | L634-I728 HydrophobicContact CD1-CG1 4.01Å; L634-I728 HydrophobicContact CD2-CD1 4.08Å; L634-I728 HydrophobicContact CD2-CG1 3.94Å; H718-I728 VanDerWaalsContact ND1-CD1 3.34Å; H718-I728 WeakPolarHBondContact ND1-CD1 3.26Å; D725-I728 HydrophobicContact CB-CB 4.18Å; D725-I728 HydrophobicContact CB-CD1 4.12Å; D725-I728 HydrophobicContact CB-CG1 4.19Å; D725-I728 PolarHBondContact O-N 3.27Å; D725-I728 VanDerWaalsContact O-N 3.12Å; D725-I728 PolarHBondContact OD1-N 3.3Å; D725-I728 WeakPolarHBondContact OD2-CD1 3.02Å; D725-I728 WeakPolarHBondContact OD2-CG1 3.07Å; I728-T730 VanDerWaalsContact C-N 3.31Å; I728-T730 PolarHBondContact O-N 3.14Å; I728-S731 WeakPolarHBondContact O-CB 3.44Å; I728-S731 PolarHBondContact O-N 3.13Å; I728-S731 VanDerWaalsContact O-N 3.11Å; I728-K732 HydrophobicContact CG2-CD 4.18Å; I728-K732 HydrophobicContact CG2-CG 4.45Å; I728-K732 PolarHBondContact O-N 2.93Å |
| 729 | E | 95.9 | Very high | 94 | Very high | 75 Ų | 75 | 60.2 Ų | 60.2 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -41.4 | 179.8 | -65.4 | -62.7 | 103.9 | 0 | 0 | 111.8 | D725 K732 A733 | D725-E729 WeakPolarHBondContact O-CG 3.42Å; D725-E729 PolarHBondContact O-N 2.71Å; E729-K732 PolarHBondContact O-N 3.41Å; E729-A733 WeakPolarHBondContact O-CB 3.44Å; E729-A733 PolarHBondContact O-N 2.87Å |
| 730 | T | 96.7 | Very high | 93.9 | Very high | 73 Ų | 73 | 64.3 Ų | 64.3 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 176.4 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | V726 Y727 I728 A733 I734 | V726-T730 VanDerWaalsContact O-CB 3.25Å; V726-T730 WeakPolarHBondContact O-CB 3.42Å; V726-T730 PolarHBondContact O-N 3.01Å; V726-T730 PolarHBondContact O-OG1 3.41Å; Y727-T730 PolarHBondContact O-N 3.3Å; I728-T730 VanDerWaalsContact C-N 3.31Å; I728-T730 PolarHBondContact O-N 3.14Å; T730-A733 PolarHBondContact O-N 3.38Å; T730-I734 HydrophobicContact CG2-CD1 4.35Å; T730-I734 WeakPolarHBondContact O-CG1 3.4Å; T730-I734 PolarHBondContact O-N 3.27Å |
| 731 | S | 96.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | Y727 I728 I734 V735 | Y727-S731 WeakPolarHBondContact O-CB 3.39Å; Y727-S731 PolarHBondContact O-N 2.96Å; Y727-S731 PolarHBondContact O-OG 3.45Å; I728-S731 WeakPolarHBondContact O-CB 3.44Å; I728-S731 PolarHBondContact O-N 3.13Å; I728-S731 VanDerWaalsContact O-N 3.11Å; S731-I734 PolarHBondContact O-N 3.34Å; S731-V735 PolarHBondContact O-N 3.07Å |
| 732 | K | 96.4 | Very high | 94.1 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 14% | 0.135 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 171.5 | -78.6 | 178.8 | 160.1 | 176.8 | 0 | 112 | T609 F610 V611 D612 I728 E729 I734 V735 N736 | T609-K732 WeakPolarHBondContact O-CE 3.29Å; F610-K732 HydrophobicContact CD1-CG 4.42Å; F610-K732 VanDerWaalsContact O-CE 3.27Å; F610-K732 WeakPolarHBondContact O-CE 3.44Å; V611-K732 VanDerWaalsContact C-NZ 3.34Å; V611-K732 PolarHBondContact O-NZ 2.78Å; D612-K732 IonicContact OD1-NZ 2.63Å; D612-K732 PolarHBondContact OD1-NZ 2.71Å; I728-K732 HydrophobicContact CG2-CD 4.18Å; I728-K732 HydrophobicContact CG2-CG 4.45Å; I728-K732 PolarHBondContact O-N 2.93Å; E729-K732 PolarHBondContact O-N 3.41Å; K732-I734 VanDerWaalsContact C-N 3.29Å; K732-I734 PolarHBondContact O-N 3.18Å; K732-V735 WeakPolarHBondContact O-CG2 3.36Å; K732-V735 PolarHBondContact O-N 2.85Å; K732-N736 VanDerWaalsContact O-CB 3.3Å; K732-N736 WeakPolarHBondContact O-CB 3.35Å; K732-N736 PolarHBondContact O-N 3.02Å |
| 733 | A | 96.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -35.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E729 T730 R737 | E729-A733 WeakPolarHBondContact O-CB 3.44Å; E729-A733 PolarHBondContact O-N 2.87Å; T730-A733 PolarHBondContact O-N 3.38Å; A733-R737 WeakPolarHBondContact O-CB 3.44Å; A733-R737 PolarHBondContact O-N 3.38Å |
| 734 | I | 97 | Very high | 95.7 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 15% | 0.149 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.3 | -53.3 | 175.4 | -70.8 | 165.8 | 0 | 0 | 0 | 110.7 | W365 T730 S731 K732 N736 R737 R738 | W365-I734 HydrophobicContact CE3-CG2 4.19Å; W365-I734 HydrophobicContact CZ3-CG2 3.94Å; T730-I734 HydrophobicContact CG2-CD1 4.35Å; T730-I734 WeakPolarHBondContact O-CG1 3.4Å; T730-I734 PolarHBondContact O-N 3.27Å; S731-I734 PolarHBondContact O-N 3.34Å; K732-I734 VanDerWaalsContact C-N 3.29Å; K732-I734 PolarHBondContact O-N 3.18Å; I734-N736 VanDerWaalsContact C-N 3.31Å; I734-N736 PolarHBondContact O-N 3.36Å; I734-R737 PolarHBondContact O-N 2.96Å; I734-R738 WeakPolarHBondContact O-CG 3.43Å; I734-R738 PolarHBondContact O-N 2.67Å; I734-R738 VanDerWaalsContact O-N 3.13Å |
| 735 | V | 96.2 | Very high | 96 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -37.4 | -180 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | W365 F610 S731 K732 R738 Y739 Y759 E819 | W365-V735 HydrophobicContact CH2-CG1 3.62Å; W365-V735 HydrophobicContact CZ2-CG1 4.49Å; W365-V735 HydrophobicContact CZ3-CG1 4.28Å; F610-V735 HydrophobicContact CD1-CG2 4.02Å; F610-V735 HydrophobicContact CE1-CG1 4.35Å; S731-V735 PolarHBondContact O-N 3.07Å; K732-V735 WeakPolarHBondContact O-CG2 3.36Å; K732-V735 PolarHBondContact O-N 2.85Å; V735-R738 PolarHBondContact O-N 2.83Å; V735-Y739 VanDerWaalsContact O-CB 3.25Å; V735-Y739 WeakPolarHBondContact O-CB 3.44Å; V735-Y739 PolarHBondContact O-N 3.12Å; V735-Y759 HydrophobicContact CG1-CD2 4.4Å; V735-E819 HydrophobicContact CB-CB 4.26Å; V735-E819 HydrophobicContact CG1-CB 4.49Å |
| 736 | N | 96.4 | Very high | 96.1 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 177.1 | -172.5 | 76.4 | 0 | 0 | 0 | 112.5 | K732 I734 Y739 E740 K758 | K732-N736 VanDerWaalsContact O-CB 3.3Å; K732-N736 WeakPolarHBondContact O-CB 3.35Å; K732-N736 PolarHBondContact O-N 3.02Å; I734-N736 VanDerWaalsContact C-N 3.31Å; I734-N736 PolarHBondContact O-N 3.36Å; N736-Y739 WeakPolarHBondContact O-CB 3.48Å; N736-Y739 PolarHBondContact O-N 3.2Å; N736-E740 PolarHBondContact ND2-OE1 3.36Å; N736-E740 WeakPolarHBondContact O-CB 3.44Å; N736-E740 WeakPolarHBondContact O-CG 3.31Å; N736-E740 PolarHBondContact O-N 3.36Å; N736-K758 HydrophobicContact CB-CD 4.39Å; N736-K758 VanDerWaalsContact OD1-CD 3.23Å; N736-K758 WeakPolarHBondContact OD1-CD 3.41Å; N736-K758 WeakPolarHBondContact OD1-CE 3.32Å; N736-K758 PolarHBondContact OD1-NZ 3.39Å |
| 737 | R | 96.5 | Very high | 96 | Very high | 108 Ų | 108 | 48 Ų | 48 | 41% | 0.408 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.6 | 174.2 | 169.9 | 62.4 | -120.2 | 1.4 | 111.3 | A733 I734 Y739 E740 D741 D824 | A733-R737 WeakPolarHBondContact O-CB 3.44Å; A733-R737 PolarHBondContact O-N 3.38Å; I734-R737 PolarHBondContact O-N 2.96Å; R737-Y739 VanDerWaalsContact C-N 3.34Å; R737-Y739 PolarHBondContact O-N 2.97Å; R737-E740 PolarHBondContact O-N 3.46Å; R737-D741 WeakPolarHBondContact CG-OD2 3.5Å; R737-D741 WeakPolarHBondContact O-CB 3.5Å; R737-D741 VanDerWaalsContact O-CG 3.28Å; R737-D741 PolarHBondContact O-N 2.89Å; R737-D824 IonicContact CZ-OD2 3.85Å; R737-D824 IonicContact NE-OD2 3.03Å; R737-D824 PolarHBondContact NE-OD2 3.15Å; R737-D824 IonicContact NH2-OD2 3.76Å; R737-D824 PolarHBondContact NH2-OD2 3.16Å |
| 738 | R | 96.7 | Very high | 95.7 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -39.3 | -179.7 | -69.1 | 168.4 | 174.4 | 176.6 | 5.6 | 112.5 | N364 I734 V735 D741 L742 E819 A820 L822 D824 Y827 | N364-R738 PolarHBondContact ND2-NH2 2.93Å; N364-R738 VanDerWaalsContact ND2-NH2 3.15Å; N364-R738 PolarHBondContact OD1-NH1 2.96Å; N364-R738 PolarHBondContact OD1-NH2 3.11Å; I734-R738 WeakPolarHBondContact O-CG 3.43Å; I734-R738 PolarHBondContact O-N 2.67Å; I734-R738 VanDerWaalsContact O-N 3.13Å; V735-R738 PolarHBondContact O-N 2.83Å; R738-D741 PolarHBondContact O-N 3.28Å; R738-L742 WeakPolarHBondContact O-CB 3.45Å; R738-L742 PolarHBondContact O-N 3.48Å; R738-E819 HydrophobicContact CB-CB 4.11Å; R738-E819 HydrophobicContact CB-CG 4.26Å; R738-E819 WeakPolarHBondContact CD-O 3.42Å; R738-E819 PolarHBondContact NH1-O 3.01Å; R738-A820 PolarHBondContact NH1-O 3.3Å; R738-L822 PolarHBondContact NE-O 2.92Å; R738-L822 PolarHBondContact NH1-O 3.33Å; R738-L822 PolarHBondContact NH2-O 2.9Å; R738-L822 VanDerWaalsContact NH2-O 3.14Å; R738-D824 IonicContact CZ-OD1 2.85Å; R738-D824 VanDerWaalsContact CZ-OD1 3.28Å; R738-D824 IonicContact NE-OD1 3.92Å; R738-D824 PolarHBondContact NE-OD1 3.12Å; R738-D824 IonicContact NH2-OD1 2.88Å; R738-D824 PolarHBondContact NH2-OD1 2.98Å; R738-Y827 HydrophobicContact CB-CD1 4.24Å; R738-Y827 HydrophobicContact CB-CD2 3.69Å; R738-Y827 HydrophobicContact CB-CE1 4.23Å; R738-Y827 HydrophobicContact CB-CE2 3.68Å; R738-Y827 HydrophobicContact CB-CG 3.98Å; R738-Y827 HydrophobicContact CG-CD2 3.59Å; R738-Y827 HydrophobicContact CG-CE2 3.41Å; R738-Y827 VanDerWaalsContact CG-CE2 3.41Å; R738-Y827 HydrophobicContact CG-CG 4.38Å |
| 739 | Y | 96.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 54 Ų | 54 | 6% | 0.059 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 171.5 | -177.3 | -91.7 | 0 | 0 | 0 | 111.2 | V735 N736 R737 D741 L742 F743 G750 N751 K758 S761 | V735-Y739 VanDerWaalsContact O-CB 3.25Å; V735-Y739 WeakPolarHBondContact O-CB 3.44Å; V735-Y739 PolarHBondContact O-N 3.12Å; N736-Y739 WeakPolarHBondContact O-CB 3.48Å; N736-Y739 PolarHBondContact O-N 3.2Å; R737-Y739 VanDerWaalsContact C-N 3.34Å; R737-Y739 PolarHBondContact O-N 2.97Å; Y739-D741 PolarHBondContact O-N 3.31Å; Y739-L742 PolarHBondContact O-N 2.87Å; Y739-F743 HydrophobicContact CD1-CD2 4.25Å; Y739-F743 HydrophobicContact CD2-CD2 4.02Å; Y739-F743 AromaticContact CD2-CE2 3.75Å; Y739-F743 HydrophobicContact CD2-CE2 3.75Å; Y739-F743 AromaticContact CE1-CD2 3.98Å; Y739-F743 HydrophobicContact CE1-CD2 3.98Å; Y739-F743 HydrophobicContact CE1-CE2 4.18Å; Y739-F743 HydrophobicContact CE1-CG 4.33Å; Y739-F743 AromaticContact CE2-CD2 3.73Å; Y739-F743 HydrophobicContact CE2-CD2 3.73Å; Y739-F743 AromaticContact CE2-CE2 3.17Å; Y739-F743 HydrophobicContact CE2-CE2 3.17Å; Y739-F743 AromaticContact CE2-CZ 3.75Å; Y739-F743 HydrophobicContact CE2-CZ 3.75Å; Y739-F743 HydrophobicContact CG-CD2 4.25Å; Y739-F743 HydrophobicContact CG-CE2 4.42Å; Y739-F743 AromaticContact CZ-CD2 3.68Å; Y739-F743 AromaticContact CZ-CE2 3.4Å; Y739-F743 VanDerWaalsContact CZ-CE2 3.4Å; Y739-F743 AromaticContact CZ-CZ 3.72Å; Y739-F743 VanDerWaalsContact O-CD2 3.31Å; Y739-F743 WeakPolarHBondContact O-CD2 3.22Å; Y739-F743 PolarHBondContact O-N 3.16Å; Y739-F743 WeakPolarHBondContact OH-CZ 3.43Å; Y739-G750 WeakPolarHBondContact OH-CA 3.49Å; Y739-N751 PolarHBondContact OH-N 3.37Å; Y739-K758 HydrophobicContact CD1-CD 4.07Å; Y739-K758 HydrophobicContact CD1-CG 4.09Å; Y739-K758 HydrophobicContact CD2-CB 3.92Å; Y739-K758 HydrophobicContact CD2-CG 3.99Å; Y739-K758 HydrophobicContact CE1-CG 4.41Å; Y739-K758 HydrophobicContact CE2-CG 4.33Å; Y739-K758 HydrophobicContact CG-CB 3.95Å; Y739-K758 HydrophobicContact CG-CD 4.17Å; Y739-K758 HydrophobicContact CG-CG 3.89Å; Y739-S761 VanDerWaalsContact CD2-OG 3.3Å; Y739-S761 WeakPolarHBondContact CD2-OG 3.36Å; Y739-S761 WeakPolarHBondContact CE2-OG 3.45Å |
| 740 | E | 96 | Very high | 95 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 51% | 0.514 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 177.4 | -74.2 | 172.7 | -175.5 | 0 | 0 | 112.2 | N736 R737 L742 F743 K744 | N736-E740 PolarHBondContact ND2-OE1 3.36Å; N736-E740 WeakPolarHBondContact O-CB 3.44Å; N736-E740 WeakPolarHBondContact O-CG 3.31Å; N736-E740 PolarHBondContact O-N 3.36Å; R737-E740 PolarHBondContact O-N 3.46Å; E740-L742 PolarHBondContact O-N 3.07Å; E740-F743 PolarHBondContact O-N 3.16Å; E740-K744 WeakPolarHBondContact O-CB 3.42Å; E740-K744 PolarHBondContact O-N 3.05Å |
| 741 | D | 96.1 | Very high | 94.8 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 179.1 | -69.9 | -27.2 | 0 | 0 | 0 | 111.7 | R737 R738 Y739 G745 | R737-D741 WeakPolarHBondContact CG-OD2 3.5Å; R737-D741 WeakPolarHBondContact O-CB 3.5Å; R737-D741 VanDerWaalsContact O-CG 3.28Å; R737-D741 PolarHBondContact O-N 2.89Å; R738-D741 PolarHBondContact O-N 3.28Å; Y739-D741 PolarHBondContact O-N 3.31Å; D741-G745 PolarHBondContact O-N 2.88Å |
| 742 | L | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -54.3 | 174.9 | -178.2 | 67.5 | 0 | 0 | 0 | 111.6 | R738 Y739 E740 G745 L746 I763 V817 E819 Y827 I830 A831 | R738-L742 WeakPolarHBondContact O-CB 3.45Å; R738-L742 PolarHBondContact O-N 3.48Å; Y739-L742 PolarHBondContact O-N 2.87Å; E740-L742 PolarHBondContact O-N 3.07Å; L742-G745 PolarHBondContact O-N 2.96Å; L742-L746 HydrophobicContact CD1-CD1 4.31Å; L742-L746 HydrophobicContact CG-CD1 4.15Å; L742-L746 WeakPolarHBondContact O-CG 3.43Å; L742-L746 PolarHBondContact O-N 2.89Å; L742-I763 HydrophobicContact CD1-CD1 4.29Å; L742-I763 HydrophobicContact CD2-CD1 4.23Å; L742-I763 HydrophobicContact CG-CD1 4.47Å; L742-V817 HydrophobicContact CD2-CB 4.02Å; L742-V817 HydrophobicContact CD2-CG1 3.84Å; L742-V817 HydrophobicContact CD2-CG2 4.28Å; L742-E819 WeakPolarHBondContact CD2-OE1 3.42Å; L742-Y827 HydrophobicContact CB-CD1 4.44Å; L742-I830 HydrophobicContact CD1-CG2 4.14Å; L742-A831 HydrophobicContact CD1-CB 4.23Å; L742-A831 WeakPolarHBondContact O-CB 3.5Å |
| 743 | F | 96 | Very high | 94.3 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 10% | 0.096 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.5 | -38.4 | -175.2 | -84.4 | -103.4 | 0 | 0 | 0 | 112.4 | Y739 E740 G745 L746 N747 I748 S761 | Y739-F743 HydrophobicContact CD1-CD2 4.25Å; Y739-F743 HydrophobicContact CD2-CD2 4.02Å; Y739-F743 AromaticContact CD2-CE2 3.75Å; Y739-F743 HydrophobicContact CD2-CE2 3.75Å; Y739-F743 AromaticContact CE1-CD2 3.98Å; Y739-F743 HydrophobicContact CE1-CD2 3.98Å; Y739-F743 HydrophobicContact CE1-CE2 4.18Å; Y739-F743 HydrophobicContact CE1-CG 4.33Å; Y739-F743 AromaticContact CE2-CD2 3.73Å; Y739-F743 HydrophobicContact CE2-CD2 3.73Å; Y739-F743 AromaticContact CE2-CE2 3.17Å; Y739-F743 HydrophobicContact CE2-CE2 3.17Å; Y739-F743 AromaticContact CE2-CZ 3.75Å; Y739-F743 HydrophobicContact CE2-CZ 3.75Å; Y739-F743 HydrophobicContact CG-CD2 4.25Å; Y739-F743 HydrophobicContact CG-CE2 4.42Å; Y739-F743 AromaticContact CZ-CD2 3.68Å; Y739-F743 AromaticContact CZ-CE2 3.4Å; Y739-F743 VanDerWaalsContact CZ-CE2 3.4Å; Y739-F743 AromaticContact CZ-CZ 3.72Å; Y739-F743 VanDerWaalsContact O-CD2 3.31Å; Y739-F743 WeakPolarHBondContact O-CD2 3.22Å; Y739-F743 PolarHBondContact O-N 3.16Å; Y739-F743 WeakPolarHBondContact OH-CZ 3.43Å; E740-F743 PolarHBondContact O-N 3.16Å; F743-G745 VanDerWaalsContact C-N 3.35Å; F743-L746 PolarHBondContact O-N 3.27Å; F743-N747 PolarHBondContact O-N 3.4Å; F743-N747 VanDerWaalsContact O-N 3.11Å; F743-I748 CarbonylContact C-O 3.53Å; F743-I748 HydrophobicContact CD1-CD1 3.81Å; F743-I748 HydrophobicContact CD1-CG1 3.69Å; F743-I748 HydrophobicContact CE1-CD1 3.84Å; F743-I748 HydrophobicContact CE1-CG1 4.23Å; F743-I748 HydrophobicContact CG-CG1 4.44Å; F743-I748 PolarHBondContact O-N 3.31Å; F743-I748 VanDerWaalsContact O-O 3.11Å; F743-S761 WeakPolarHBondContact CE2-OG 3.33Å |
| 744 | K | 94.9 | Very high | 94.1 | Very high | 166 Ų | 166 | 56.1 Ų | 56.1 | 72% | 0.722 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 172 | -177.6 | -175 | 173.8 | -165.7 | 0 | 111.3 | E740 L746 N747 | E740-K744 WeakPolarHBondContact O-CB 3.42Å; E740-K744 PolarHBondContact O-N 3.05Å; K744-L746 VanDerWaalsContact C-N 3.29Å; K744-L746 PolarHBondContact O-N 2.98Å; K744-N747 PolarHBondContact O-N 2.94Å; K744-N747 VanDerWaalsContact O-N 3.15Å |
| 745 | G | 94 | Very high | 94.1 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 25% | 0.247 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | D741 L742 F743 N747 L835 | D741-G745 PolarHBondContact O-N 2.88Å; L742-G745 PolarHBondContact O-N 2.96Å; F743-G745 VanDerWaalsContact C-N 3.35Å; G745-N747 VanDerWaalsContact C-N 3.26Å; G745-N747 PolarHBondContact O-N 3.45Å; G745-L835 VanDerWaalsContact O-CD1 3.26Å; G745-L835 WeakPolarHBondContact O-CD1 3.48Å |
| 746 | L | 95.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -7.4 | 176.6 | -70.2 | 169.9 | 0 | 0 | 0 | 113.3 | L742 F743 K744 I748 I763 L768 A831 I834 L835 | L742-L746 HydrophobicContact CD1-CD1 4.31Å; L742-L746 HydrophobicContact CG-CD1 4.15Å; L742-L746 WeakPolarHBondContact O-CG 3.43Å; L742-L746 PolarHBondContact O-N 2.89Å; F743-L746 PolarHBondContact O-N 3.27Å; K744-L746 VanDerWaalsContact C-N 3.29Å; K744-L746 PolarHBondContact O-N 2.98Å; L746-I748 VanDerWaalsContact C-N 3.26Å; L746-I748 HydrophobicContact CB-CD1 4.13Å; L746-I748 HydrophobicContact CB-CG1 3.76Å; L746-I748 HydrophobicContact CD1-CD1 4.07Å; L746-I748 HydrophobicContact CD1-CG1 4.47Å; L746-I748 PolarHBondContact O-N 3.21Å; L746-I763 HydrophobicContact CD1-CD1 3.6Å; L746-I763 HydrophobicContact CD1-CG1 3.93Å; L746-I763 HydrophobicContact CD1-CG2 4.17Å; L746-L768 HydrophobicContact CD2-CD2 3.95Å; L746-A831 HydrophobicContact CD2-CB 4.03Å; L746-A831 HydrophobicContact CG-CB 3.78Å; L746-I834 HydrophobicContact CD2-CB 4.11Å; L746-I834 HydrophobicContact CD2-CD1 4.37Å; L746-I834 HydrophobicContact CD2-CG2 3.96Å; L746-L835 HydrophobicContact CD2-CG 4.35Å |
| 747 | N | 92.5 | Very high | 94.2 | Very high | 136 Ų | 136 | 54.3 Ų | 54.3 | 73% | 0.727 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 39.5 | -174.8 | -164.4 | 35.9 | 0 | 0 | 0 | 113.1 | F743 K744 G745 K771 | F743-N747 PolarHBondContact O-N 3.4Å; F743-N747 VanDerWaalsContact O-N 3.11Å; K744-N747 PolarHBondContact O-N 2.94Å; K744-N747 VanDerWaalsContact O-N 3.15Å; G745-N747 VanDerWaalsContact C-N 3.26Å; G745-N747 PolarHBondContact O-N 3.45Å; N747-K771 PolarHBondContact O-NZ 3.29Å |
| 748 | I | 91 | Very high | 94.2 | Very high | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.195 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -126.7 | 151.8 | 174.7 | 60.8 | 172.6 | 0 | 0 | 0 | 110.5 | F743 L746 L768 K771 | F743-I748 CarbonylContact C-O 3.53Å; F743-I748 HydrophobicContact CD1-CD1 3.81Å; F743-I748 HydrophobicContact CD1-CG1 3.69Å; F743-I748 HydrophobicContact CE1-CD1 3.84Å; F743-I748 HydrophobicContact CE1-CG1 4.23Å; F743-I748 HydrophobicContact CG-CG1 4.44Å; F743-I748 PolarHBondContact O-N 3.31Å; F743-I748 VanDerWaalsContact O-O 3.11Å; L746-I748 VanDerWaalsContact C-N 3.26Å; L746-I748 HydrophobicContact CB-CD1 4.13Å; L746-I748 HydrophobicContact CB-CG1 3.76Å; L746-I748 HydrophobicContact CD1-CD1 4.07Å; L746-I748 HydrophobicContact CD1-CG1 4.47Å; L746-I748 PolarHBondContact O-N 3.21Å; I748-L768 HydrophobicContact CG2-CD1 3.61Å; I748-K771 HydrophobicContact CG2-CD 4Å |
| 749 | D | 89.1 | Confident | 94.1 | Very high | 148 Ų | 148 | 50.6 Ų | 50.6 | 79% | 0.791 | 28% | 0.277 | S | S | * | . | trans | -75.9 | 130.8 | 177.2 | -59.7 | -57.4 | 0 | 0 | 0 | 109.3 | ||||
| 750 | G | 89.1 | Confident | 94 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | trans | -81 | 160.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y739 A752 | Y739-G750 WeakPolarHBondContact OH-CA 3.49Å; G750-A752 PolarHBondContact O-N 3.4Å | ||
| 751 | N | 90.9 | Very high | 93.9 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | trans | -74.9 | 105.3 | 172.5 | -177 | 3 | 0 | 0 | 0 | 110.4 | N549 M579 Y739 S753 N756 | N549-N751 WeakPolarHBondContact CB-ND2 3.44Å; M579-N751 PolarHBondContact SD-ND2 3.48Å; Y739-N751 PolarHBondContact OH-N 3.37Å; N751-S753 VanDerWaalsContact C-N 3.27Å; N751-S753 PolarHBondContact O-N 3.27Å; N751-S753 WeakPolarHBondContact OD1-CB 3.49Å; N751-S753 PolarHBondContact OD1-N 2.99Å; N751-N756 PolarHBondContact O-ND2 3.22Å | ||
| 752 | A | 89.5 | Confident | 93.8 | Very high | 92 Ų | 92 | 43.5 Ų | 43.5 | 76% | 0.76 | 24% | 0.244 | S | C | * | . | trans | -83.6 | 6.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G750 | G750-A752 PolarHBondContact O-N 3.4Š| ||
| 753 | S | 92.9 | Very high | 93.6 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | trans | -54.9 | 142.6 | 176 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | N751 E755 N756 | N751-S753 VanDerWaalsContact C-N 3.27Å; N751-S753 PolarHBondContact O-N 3.27Å; N751-S753 WeakPolarHBondContact OD1-CB 3.49Å; N751-S753 PolarHBondContact OD1-N 2.99Å; S753-E755 PolarHBondContact O-N 2.91Å; S753-E755 PolarHBondContact OG-N 3.47Å; S753-E755 PolarHBondContact OG-OE2 3.4Å; S753-N756 WeakPolarHBondContact O-CB 3.34Å; S753-N756 PolarHBondContact O-N 3.06Å | ||
| 754 | K | 93.8 | Very high | 93.4 | Very high | 102 Ų | 102 | 43.7 Ų | 43.7 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22.7 | 179.9 | 66.3 | 175.3 | -171 | 173.1 | 0 | 111.6 | N756 | K754-N756 VanDerWaalsContact C-N 3.27Š|
| 755 | E | 96.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 12% | 0.117 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -14.1 | 175.2 | -71.7 | 71.5 | -157.9 | 0 | 0 | 113 | M579 A580 D582 V611 S753 S757 | M579-E755 HydrophobicContact CE-CB 3.86Å; A580-E755 HydrophobicContact CB-CB 4.15Å; A580-E755 HydrophobicContact CB-CG 4.49Å; A580-E755 WeakPolarHBondContact CB-O 2.89Å; A580-E755 PolarHBondContact N-O 3.49Å; D582-E755 HydrophobicContact CB-CG 4.01Å; V611-E755 WeakPolarHBondContact CG2-O 3.48Å; S753-E755 PolarHBondContact O-N 2.91Å; S753-E755 PolarHBondContact OG-N 3.47Å; S753-E755 PolarHBondContact OG-OE2 3.4Å; E755-S757 PolarHBondContact O-N 2.78Å |
| 756 | N | 97.2 | Very high | 93.2 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -78.4 | 112.3 | 178.4 | -173.7 | 0.9 | 0 | 0 | 0 | 110.8 | A578 M579 N751 S753 K754 K758 | A578-N756 PolarHBondContact O-OD1 3.36Å; M579-N756 HydrophobicContact CE-CB 4.42Å; M579-N756 HydrophobicContact SD-CB 3.59Å; M579-N756 VanDerWaalsContact SD-CB 3.59Å; N751-N756 PolarHBondContact O-ND2 3.22Å; S753-N756 WeakPolarHBondContact O-CB 3.34Å; S753-N756 PolarHBondContact O-N 3.06Å; K754-N756 VanDerWaalsContact C-N 3.27Å; N756-K758 HydrophobicContact CB-CG 4.34Å; N756-K758 PolarHBondContact O-N 3.39Å; N756-K758 WeakPolarHBondContact OD1-CA 3.41Å; N756-K758 PolarHBondContact OD1-N 3.3Å |
| 757 | S | 96.9 | Very high | 93 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | trans | -68.1 | -20.5 | 175.4 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | A578 E755 Y759 | A578-S757 WeakPolarHBondContact CB-OG 3.33Å; A578-S757 PolarHBondContact O-N 3.33Å; A578-S757 PolarHBondContact O-OG 2.94Å; E755-S757 PolarHBondContact O-N 2.78Å; S757-Y759 PolarHBondContact O-N 2.94Å | ||
| 758 | K | 96.3 | Very high | 93 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 17% | 0.17 | 19% | 0.189 | C | C | . | . | trans | 54.9 | 19.3 | -178.5 | -59.6 | 164.9 | -173.5 | 157 | 0 | 113.9 | N736 Y739 N756 E819 | N736-K758 HydrophobicContact CB-CD 4.39Å; N736-K758 VanDerWaalsContact OD1-CD 3.23Å; N736-K758 WeakPolarHBondContact OD1-CD 3.41Å; N736-K758 WeakPolarHBondContact OD1-CE 3.32Å; N736-K758 PolarHBondContact OD1-NZ 3.39Å; Y739-K758 HydrophobicContact CD1-CD 4.07Å; Y739-K758 HydrophobicContact CD1-CG 4.09Å; Y739-K758 HydrophobicContact CD2-CB 3.92Å; Y739-K758 HydrophobicContact CD2-CG 3.99Å; Y739-K758 HydrophobicContact CE1-CG 4.41Å; Y739-K758 HydrophobicContact CE2-CG 4.33Å; Y739-K758 HydrophobicContact CG-CB 3.95Å; Y739-K758 HydrophobicContact CG-CD 4.17Å; Y739-K758 HydrophobicContact CG-CG 3.89Å; N756-K758 HydrophobicContact CB-CG 4.34Å; N756-K758 PolarHBondContact O-N 3.39Å; N756-K758 WeakPolarHBondContact OD1-CA 3.41Å; N756-K758 PolarHBondContact OD1-N 3.3Å; K758-E819 WeakPolarHBondContact O-CB 3.35Å | ||
| 759 | Y | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -77.7 | -29.7 | -179.6 | -161.8 | -79.7 | 0 | 0 | 0 | 112 | G361 P363 W365 Y607 F610 K633 V735 S757 E819 A820 | G361-Y759 PolarHBondContact O-OH 3.18Å; G361-Y759 VanDerWaalsContact O-OH 3.13Å; P363-Y759 WeakPolarHBondContact CD-OH 3.16Å; W365-Y759 HydrophobicContact CH2-CE2 4.29Å; W365-Y759 HydrophobicContact CZ2-CE2 4.26Å; Y607-Y759 AromaticContact CD1-CD1 3.87Å; Y607-Y759 HydrophobicContact CD1-CD1 3.87Å; Y607-Y759 HydrophobicContact CD1-CD2 4.04Å; Y607-Y759 HydrophobicContact CD1-CE1 4.32Å; Y607-Y759 HydrophobicContact CD1-CE2 4.48Å; Y607-Y759 AromaticContact CD1-CG 3.72Å; Y607-Y759 HydrophobicContact CD1-CG 3.72Å; Y607-Y759 AromaticContact CE1-CD1 3.54Å; Y607-Y759 HydrophobicContact CE1-CD1 3.54Å; Y607-Y759 HydrophobicContact CE1-CD2 4.4Å; Y607-Y759 AromaticContact CE1-CE1 3.72Å; Y607-Y759 HydrophobicContact CE1-CE1 3.72Å; Y607-Y759 AromaticContact CE1-CG 3.9Å; Y607-Y759 HydrophobicContact CE1-CG 3.9Å; F610-Y759 HydrophobicContact CD1-CD2 4.16Å; F610-Y759 AromaticContact CD2-CD2 3.83Å; F610-Y759 HydrophobicContact CD2-CD2 3.83Å; F610-Y759 HydrophobicContact CD2-CE2 4.29Å; F610-Y759 AromaticContact CE1-CD2 3.99Å; F610-Y759 HydrophobicContact CE1-CD2 3.99Å; F610-Y759 HydrophobicContact CE1-CE2 4.1Å; F610-Y759 AromaticContact CE2-CD2 3.66Å; F610-Y759 HydrophobicContact CE2-CD2 3.66Å; F610-Y759 AromaticContact CE2-CE2 3.64Å; F610-Y759 HydrophobicContact CE2-CE2 3.64Å; F610-Y759 HydrophobicContact CG-CD2 4.09Å; F610-Y759 AromaticContact CZ-CD2 3.75Å; F610-Y759 HydrophobicContact CZ-CD2 3.75Å; F610-Y759 AromaticContact CZ-CE2 3.54Å; F610-Y759 HydrophobicContact CZ-CE2 3.54Å; K633-Y759 HydrophobicContact CB-CE2 4.13Å; K633-Y759 HydrophobicContact CD-CE1 4.09Å; K633-Y759 WeakPolarHBondContact CD-OH 3.2Å; V735-Y759 HydrophobicContact CG1-CD2 4.4Å; S757-Y759 PolarHBondContact O-N 2.94Å; Y759-E819 PolarHBondContact O-N 3.44Å; Y759-E819 VanDerWaalsContact O-N 3.11Å; Y759-A820 HydrophobicContact CD1-CB 4.35Å; Y759-A820 HydrophobicContact CD2-CB 4.48Å; Y759-A820 HydrophobicContact CE1-CB 3.62Å; Y759-A820 HydrophobicContact CE2-CB 3.76Å; Y759-A820 WeakPolarHBondContact OH-CB 3.33Å |
| 760 | Y | 94.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156.9 | 169.8 | -63 | -76.2 | 0 | 0 | 0 | 109.7 | N575 P576 A578 Y607 R816 V817 E819 | N575-Y760 HydrophobicContact CB-CD2 4.45Å; N575-Y760 HydrophobicContact CB-CE2 4.39Å; P576-Y760 WeakPolarHBondContact O-CB 3.49Å; A578-Y760 VanDerWaalsContact CB-O 3.25Å; A578-Y760 WeakPolarHBondContact CB-O 3.4Å; Y607-Y760 AromaticContact CE1-CE2 3.73Å; Y607-Y760 HydrophobicContact CE1-CE2 3.73Å; Y607-Y760 HydrophobicContact CE2-CE2 4.19Å; Y607-Y760 AromaticContact CZ-CE2 3.51Å; Y607-Y760 WeakPolarHBondContact OH-CE2 3.48Å; Y607-Y760 PolarHBondContact OH-OH 3.44Å; Y760-R816 HydrophobicContact CD1-CG 4.39Å; Y760-R816 PolarHBondContact OH-NH2 2.71Å; Y760-V817 VanDerWaalsContact CA-O 3.28Å; Y760-V817 WeakPolarHBondContact CA-O 3.39Å; Y760-E819 WeakPolarHBondContact CA-OE2 3.39Å; Y760-E819 PolarHBondContact N-OE2 3.49Å; Y760-E819 VanDerWaalsContact N-OE2 3.17Å |
| 761 | S | 93.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 32 Ų | 32 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.1 | 167.6 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | Y739 F743 R816 V817 E819 | Y739-S761 VanDerWaalsContact CD2-OG 3.3Å; Y739-S761 WeakPolarHBondContact CD2-OG 3.36Å; Y739-S761 WeakPolarHBondContact CE2-OG 3.45Å; F743-S761 WeakPolarHBondContact CE2-OG 3.33Å; S761-R816 WeakPolarHBondContact O-CA 3.11Å; S761-V817 PolarHBondContact N-O 2.98Å; S761-V817 PolarHBondContact O-N 3.44Å; S761-E819 VanDerWaalsContact CB-OE1 3.24Å; S761-E819 WeakPolarHBondContact CB-OE1 3.31Å; S761-E819 PolarHBondContact N-OE2 3.45Å; S761-E819 VanDerWaalsContact OG-CD 3.23Å; S761-E819 PolarHBondContact OG-OE1 3.3Å |
| 762 | L | 92.5 | Very high | 93.6 | Very high | 15 Ų | 15 | 34 Ų | 34 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.7 | 164.3 | -73.4 | 176.2 | 0 | 0 | 0 | 108.9 | P521 W550 P576 E814 L815 R816 | P521-L762 HydrophobicContact CG-CD1 4.44Å; W550-L762 HydrophobicContact CD2-CD1 4.04Å; W550-L762 HydrophobicContact CE3-CD1 4.36Å; W550-L762 HydrophobicContact CH2-CD1 3.7Å; W550-L762 HydrophobicContact CZ2-CB 4.16Å; W550-L762 HydrophobicContact CZ2-CD1 3.32Å; W550-L762 HydrophobicContact CZ2-CG 4.4Å; W550-L762 HydrophobicContact CZ3-CD1 4.21Å; P576-L762 HydrophobicContact CB-CD1 4.41Å; P576-L762 HydrophobicContact CB-CD2 3.78Å; P576-L762 HydrophobicContact CB-CG 4Å; P576-L762 HydrophobicContact CG-CD1 3.97Å; P576-L762 HydrophobicContact CG-CD2 3.59Å; P576-L762 HydrophobicContact CG-CG 3.98Å; L762-E814 HydrophobicContact CD2-CB 4.24Å; L762-L815 WeakPolarHBondContact CA-O 3.44Å; L762-R816 HydrophobicContact CD2-CB 4.29Å |
| 763 | I | 92.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 109 | 175.6 | -56.4 | 165 | 0 | 0 | 0 | 108.3 | L742 L746 I765 L768 E814 L815 V817 I834 | L742-I763 HydrophobicContact CD1-CD1 4.29Å; L742-I763 HydrophobicContact CD2-CD1 4.23Å; L742-I763 HydrophobicContact CG-CD1 4.47Å; L746-I763 HydrophobicContact CD1-CD1 3.6Å; L746-I763 HydrophobicContact CD1-CG1 3.93Å; L746-I763 HydrophobicContact CD1-CG2 4.17Å; I763-I765 PolarHBondContact O-N 3.23Å; I763-L768 HydrophobicContact CG2-CD2 4.29Å; I763-E814 CarbonylContact O-C 3.56Å; I763-E814 WeakPolarHBondContact O-CA 3.38Å; I763-L815 HydrophobicContact CB-CB 4.33Å; I763-L815 PolarHBondContact N-O 2.78Å; I763-L815 PolarHBondContact O-N 3.47Å; I763-V817 HydrophobicContact CD1-CG2 3.57Å; I763-V817 HydrophobicContact CG1-CG2 4.41Å; I763-I834 HydrophobicContact CD1-CD1 3.84Å |
| 764 | N | 92.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 105.4 | 174.1 | -172.1 | -33.4 | 0 | 0 | 0 | 110.9 | E546 Y766 Q767 L768 E814 | E546-N764 VanDerWaalsContact OE1-CB 3.22Å; E546-N764 WeakPolarHBondContact OE1-CB 3.38Å; E546-N764 PolarHBondContact OE2-ND2 3.3Å; N764-Y766 PolarHBondContact O-N 3.34Å; N764-Y766 WeakPolarHBondContact OD1-CB 3.42Å; N764-Y766 PolarHBondContact OD1-N 2.73Å; N764-Q767 HydrophobicContact CB-CB 4.08Å; N764-Q767 HydrophobicContact CB-CG 4.18Å; N764-Q767 PolarHBondContact O-N 2.88Å; N764-Q767 PolarHBondContact OD1-N 3.44Å; N764-Q767 VanDerWaalsContact OD1-N 3.09Å; N764-L768 WeakPolarHBondContact O-CB 3.33Å; N764-L768 PolarHBondContact O-N 3.29Å; N764-E814 HydrophobicContact CB-CG 4.27Å |
| 765 | I | 92.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -30.3 | -178.1 | 67.5 | -173.4 | 0 | 0 | 0 | 112.7 | I763 A769 F790 G813 L815 | I763-I765 PolarHBondContact O-N 3.23Å; I765-A769 WeakPolarHBondContact O-CB 3.32Å; I765-A769 PolarHBondContact O-N 3.5Å; I765-F790 HydrophobicContact CD1-CB 3.8Å; I765-F790 HydrophobicContact CD1-CD1 4.31Å; I765-F790 HydrophobicContact CD1-CD2 3.84Å; I765-F790 HydrophobicContact CD1-CG 3.71Å; I765-F790 HydrophobicContact CG2-CD1 4.08Å; I765-F790 HydrophobicContact CG2-CE1 3.94Å; I765-F790 HydrophobicContact CG2-CE2 4.41Å; I765-F790 HydrophobicContact CG2-CG 4.39Å; I765-F790 HydrophobicContact CG2-CZ 4.12Å; I765-G813 WeakPolarHBondContact CG1-O 3.31Å; I765-G813 PolarHBondContact N-O 2.95Å; I765-L815 HydrophobicContact CG2-CD1 3.52Å; I765-L815 HydrophobicContact CG2-CD2 4.04Å; I765-L815 HydrophobicContact CG2-CG 3.62Å |
| 766 | Y | 92.5 | Very high | 93.8 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 8% | 0.078 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74.9 | -40.5 | -178.2 | -61 | -59.9 | 0 | 0 | 0 | 111.4 | N764 A769 E770 L781 M782 P812 | N764-Y766 PolarHBondContact O-N 3.34Å; N764-Y766 WeakPolarHBondContact OD1-CB 3.42Å; N764-Y766 PolarHBondContact OD1-N 2.73Å; Y766-A769 PolarHBondContact O-N 2.95Å; Y766-E770 WeakPolarHBondContact O-CB 3.24Å; Y766-E770 PolarHBondContact O-N 3.25Å; Y766-L781 HydrophobicContact CD1-CB 4.41Å; Y766-L781 HydrophobicContact CD1-CD2 3.9Å; Y766-L781 HydrophobicContact CD1-CG 4.21Å; Y766-L781 HydrophobicContact CE1-CB 4.39Å; Y766-L781 HydrophobicContact CE1-CD2 4.09Å; Y766-L781 HydrophobicContact CE1-CG 4Å; Y766-M782 HydrophobicContact CD1-CG 3.38Å; Y766-M782 HydrophobicContact CD1-SD 4.4Å; Y766-M782 HydrophobicContact CD2-CG 4.36Å; Y766-M782 HydrophobicContact CE1-CB 4.23Å; Y766-M782 HydrophobicContact CE1-CG 3.4Å; Y766-M782 HydrophobicContact CE2-CG 4.35Å; Y766-M782 HydrophobicContact CG-CG 3.9Å; Y766-M782 HydrophobicContact CG-SD 4.41Å; Y766-P812 WeakPolarHBondContact CE2-O 3.4Å |
| 767 | Q | 90.4 | Very high | 93.6 | Very high | 85 Ų | 85 | 38.2 Ų | 38.2 | 40% | 0.397 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.6 | -39.7 | 172.4 | -71.4 | -174 | 12.3 | 0 | 0 | 111.6 | E546 N764 E770 K771 | E546-Q767 PolarHBondContact OE1-OE1 2.95Å; E546-Q767 VanDerWaalsContact OE2-CD 3.24Å; E546-Q767 PolarHBondContact OE2-NE2 3.31Å; E546-Q767 PolarHBondContact OE2-OE1 2.78Å; N764-Q767 HydrophobicContact CB-CB 4.08Å; N764-Q767 HydrophobicContact CB-CG 4.18Å; N764-Q767 PolarHBondContact O-N 2.88Å; N764-Q767 PolarHBondContact OD1-N 3.44Å; N764-Q767 VanDerWaalsContact OD1-N 3.09Å; Q767-E770 PolarHBondContact O-N 3.27Å; Q767-K771 WeakPolarHBondContact O-CB 3.39Å; Q767-K771 PolarHBondContact O-N 2.97Å |
| 768 | L | 92.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.9 | -173.9 | 57.9 | 0 | 0 | 0 | 111.1 | L746 I748 I763 N764 E770 K771 I772 I834 L835 I838 | L746-L768 HydrophobicContact CD2-CD2 3.95Å; I748-L768 HydrophobicContact CG2-CD1 3.61Å; I763-L768 HydrophobicContact CG2-CD2 4.29Å; N764-L768 WeakPolarHBondContact O-CB 3.33Å; N764-L768 PolarHBondContact O-N 3.29Å; L768-E770 PolarHBondContact O-N 3.4Å; L768-K771 PolarHBondContact O-N 3.4Å; L768-I772 HydrophobicContact CD1-CD1 3.85Å; L768-I772 HydrophobicContact CD1-CG1 4.4Å; L768-I772 HydrophobicContact CG-CD1 3.89Å; L768-I772 WeakPolarHBondContact O-CD1 3.3Å; L768-I772 VanDerWaalsContact O-CG1 3.25Å; L768-I772 WeakPolarHBondContact O-CG1 3.5Å; L768-I772 PolarHBondContact O-N 3.02Å; L768-I772 VanDerWaalsContact O-N 3.08Å; L768-I834 HydrophobicContact CD2-CG2 4.02Å; L768-L835 HydrophobicContact CD1-CD2 4.36Å; L768-L835 HydrophobicContact CD2-CD2 4.05Å; L768-L835 HydrophobicContact CG-CD2 4.35Å; L768-I838 HydrophobicContact CB-CD1 4.24Å; L768-I838 HydrophobicContact CD2-CD1 3.56Å; L768-I838 HydrophobicContact CG-CD1 3.81Å |
| 769 | A | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I765 Y766 I772 Y773 F777 L781 I838 | I765-A769 WeakPolarHBondContact O-CB 3.32Å; I765-A769 PolarHBondContact O-N 3.5Å; Y766-A769 PolarHBondContact O-N 2.95Å; A769-I772 PolarHBondContact O-N 3.17Å; A769-Y773 PolarHBondContact O-N 3.39Å; A769-F777 HydrophobicContact CB-CD1 3.78Å; A769-F777 HydrophobicContact CB-CE1 3.63Å; A769-L781 HydrophobicContact CB-CD2 4.01Å; A769-I838 HydrophobicContact CB-CG2 4.32Å |
| 770 | E | 94 | Very high | 93 | Very high | 64 Ų | 64 | 45.6 Ų | 45.6 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64 | -40.8 | 175.9 | 176.3 | 163.7 | -142 | 0 | 0 | 112.4 | Y766 Q767 L768 I772 G774 S775 K778 | Y766-E770 WeakPolarHBondContact O-CB 3.24Å; Y766-E770 PolarHBondContact O-N 3.25Å; Q767-E770 PolarHBondContact O-N 3.27Å; L768-E770 PolarHBondContact O-N 3.4Å; E770-I772 VanDerWaalsContact C-N 3.31Å; E770-I772 PolarHBondContact O-N 3.08Å; E770-G774 WeakPolarHBondContact O-CA 3.43Å; E770-G774 PolarHBondContact O-N 3.42Å; E770-S775 WeakPolarHBondContact OE1-CB 3.35Å; E770-S775 PolarHBondContact OE1-OG 3.17Å; E770-K778 HydrophobicContact CB-CB 3.98Å; E770-K778 HydrophobicContact CB-CD 3.8Å; E770-K778 HydrophobicContact CB-CG 4.48Å; E770-K778 HydrophobicContact CG-CD 4.3Å; E770-K778 WeakPolarHBondContact OE2-CD 3.27Å; E770-K778 IonicContact OE2-NZ 3.92Å; E770-K778 PolarHBondContact OE2-NZ 3.32Å |
| 771 | K | 92.2 | Very high | 92.8 | Very high | 122 Ų | 122 | 45.6 Ų | 45.6 | 53% | 0.53 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.1 | -36.3 | 177.3 | -177.3 | 174.6 | 177 | 179.5 | 0 | 112.3 | N747 I748 Q767 L768 | N747-K771 PolarHBondContact O-NZ 3.29Å; I748-K771 HydrophobicContact CG2-CD 4Å; Q767-K771 WeakPolarHBondContact O-CB 3.39Å; Q767-K771 PolarHBondContact O-N 2.97Å; L768-K771 PolarHBondContact O-N 3.4Å |
| 772 | I | 93.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -85.5 | -47 | -176 | -60.1 | 165 | 0 | 0 | 0 | 111.9 | L768 A769 E770 L835 | L768-I772 HydrophobicContact CD1-CD1 3.85Å; L768-I772 HydrophobicContact CD1-CG1 4.4Å; L768-I772 HydrophobicContact CG-CD1 3.89Å; L768-I772 WeakPolarHBondContact O-CD1 3.3Å; L768-I772 VanDerWaalsContact O-CG1 3.25Å; L768-I772 WeakPolarHBondContact O-CG1 3.5Å; L768-I772 PolarHBondContact O-N 3.02Å; L768-I772 VanDerWaalsContact O-N 3.08Å; A769-I772 PolarHBondContact O-N 3.17Å; E770-I772 VanDerWaalsContact C-N 3.31Å; E770-I772 PolarHBondContact O-N 3.08Å; I772-L835 HydrophobicContact CD1-CD2 3.54Å |
| 773 | Y | 95.1 | Very high | 92.6 | Very high | 80 Ų | 80 | 55.9 Ų | 55.9 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -122.6 | -1.9 | -170.3 | -58.7 | -70.7 | 0 | 0 | 0 | 114.6 | A769 F777 I838 D839 H842 | A769-Y773 PolarHBondContact O-N 3.39Å; Y773-F777 AromaticContact CD2-CD1 3.78Å; Y773-F777 HydrophobicContact CD2-CD1 3.78Å; Y773-F777 AromaticContact CD2-CE1 3.75Å; Y773-F777 HydrophobicContact CD2-CE1 3.75Å; Y773-F777 HydrophobicContact CG-CD1 4.14Å; Y773-I838 HydrophobicContact CD2-CG2 4.28Å; Y773-I838 HydrophobicContact CE2-CG2 4.02Å; Y773-D839 WeakPolarHBondContact OH-CB 3.5Å; Y773-D839 PolarHBondContact OH-OD1 3.12Å; Y773-H842 HydrophobicContact CD1-CB 4.45Å; Y773-H842 AromaticContact CD1-CD2 3.58Å; Y773-H842 AromaticContact CD1-CE1 3.31Å; Y773-H842 WeakPolarHBondContact CD1-CE1 3.49Å; Y773-H842 AromaticContact CD1-CG 3.59Å; Y773-H842 AromaticContact CD1-ND1 3.43Å; Y773-H842 WeakPolarHBondContact CD1-ND1 3.11Å; Y773-H842 AromaticContact CD1-NE2 3.43Å; Y773-H842 WeakPolarHBondContact CD1-NE2 3.4Å; Y773-H842 HydrophobicContact CD2-CB 3.87Å; Y773-H842 AromaticContact CD2-CD2 3.96Å; Y773-H842 AromaticContact CD2-CG 3.8Å; Y773-H842 HydrophobicContact CE1-CB 4.36Å; Y773-H842 AromaticContact CE1-CE1 3.56Å; Y773-H842 AromaticContact CE1-CG 3.72Å; Y773-H842 AromaticContact CE1-ND1 3.3Å; Y773-H842 VanDerWaalsContact CE1-ND1 3.3Å; Y773-H842 WeakPolarHBondContact CE1-ND1 3.45Å; Y773-H842 HydrophobicContact CE2-CB 3.78Å; Y773-H842 AromaticContact CE2-CG 3.95Å; Y773-H842 HydrophobicContact CG-CB 4.22Å; Y773-H842 AromaticContact CG-CD2 3.44Å; Y773-H842 VanDerWaalsContact CG-CD2 3.44Å; Y773-H842 AromaticContact CG-CG 3.62Å; Y773-H842 AromaticContact CG-ND1 3.99Å; Y773-H842 AromaticContact CG-NE2 3.72Å; Y773-H842 AromaticContact CZ-CG 3.91Å; Y773-H842 AromaticContact CZ-ND1 3.78Å |
| 774 | G | 93.6 | Very high | 92.3 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | trans | 93.4 | 171.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | E770 E776 F777 K778 | E770-G774 WeakPolarHBondContact O-CA 3.43Å; E770-G774 PolarHBondContact O-N 3.42Å; G774-E776 VanDerWaalsContact C-N 3.34Å; G774-E776 PolarHBondContact O-N 3.21Å; G774-F777 PolarHBondContact O-N 2.92Å; G774-K778 PolarHBondContact O-N 3.07Å | ||
| 775 | S | 94.3 | Very high | 91.9 | Very high | 74 Ų | 74 | 62.4 Ų | 62.4 | 52% | 0.517 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.4 | -27.2 | -169.9 | -46.1 | 0 | 0 | 0 | 0 | 114.5 | E770 K778 K779 | E770-S775 WeakPolarHBondContact OE1-CB 3.35Å; E770-S775 PolarHBondContact OE1-OG 3.17Å; S775-K778 PolarHBondContact O-N 2.74Å; S775-K779 PolarHBondContact O-N 2.95Å; S775-K779 VanDerWaalsContact O-N 3.08Å |
| 776 | E | 93.6 | Very high | 91.4 | Very high | 159 Ų | 159 | 69 Ų | 69 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 176 | -68.5 | -172 | 157.7 | 0 | 0 | 111.3 | G774 K779 Y780 F845 | G774-E776 VanDerWaalsContact C-N 3.34Å; G774-E776 PolarHBondContact O-N 3.21Å; E776-K779 PolarHBondContact O-N 3.21Å; E776-Y780 PolarHBondContact O-N 2.66Å; E776-F845 HydrophobicContact CB-CZ 4.25Å |
| 777 | F | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.9 | -41 | 177.1 | 175.8 | -119.7 | 0 | 0 | 0 | 112.2 | A769 Y773 G774 K779 Y780 L781 I838 H842 F845 | A769-F777 HydrophobicContact CB-CD1 3.78Å; A769-F777 HydrophobicContact CB-CE1 3.63Å; Y773-F777 AromaticContact CD2-CD1 3.78Å; Y773-F777 HydrophobicContact CD2-CD1 3.78Å; Y773-F777 AromaticContact CD2-CE1 3.75Å; Y773-F777 HydrophobicContact CD2-CE1 3.75Å; Y773-F777 HydrophobicContact CG-CD1 4.14Å; G774-F777 PolarHBondContact O-N 2.92Å; F777-K779 VanDerWaalsContact C-N 3.3Å; F777-K779 PolarHBondContact O-N 2.98Å; F777-Y780 AromaticContact CD2-CD1 3.97Å; F777-Y780 HydrophobicContact CD2-CD1 3.97Å; F777-Y780 AromaticContact CE2-CD1 3.92Å; F777-Y780 HydrophobicContact CE2-CD1 3.92Å; F777-Y780 HydrophobicContact CE2-CE1 4.31Å; F777-Y780 WeakPolarHBondContact O-CB 3.43Å; F777-Y780 PolarHBondContact O-N 3.25Å; F777-L781 WeakPolarHBondContact O-CB 3.34Å; F777-L781 PolarHBondContact O-N 2.56Å; F777-I838 HydrophobicContact CE1-CG2 3.89Å; F777-I838 HydrophobicContact CZ-CG2 4.43Å; F777-H842 HydrophobicContact CD2-CB 4.25Å; F777-H842 AromaticContact CD2-CD2 3.86Å; F777-H842 HydrophobicContact CE1-CB 4.06Å; F777-H842 HydrophobicContact CE2-CB 3.78Å; F777-H842 AromaticContact CG-CD2 3.86Å; F777-H842 HydrophobicContact CZ-CB 3.65Å; F777-F845 HydrophobicContact CB-CD1 4.22Å; F777-F845 HydrophobicContact CB-CE1 4.2Å; F777-F845 HydrophobicContact CD2-CB 3.8Å; F777-F845 AromaticContact CD2-CD1 3.82Å; F777-F845 HydrophobicContact CD2-CD1 3.82Å; F777-F845 AromaticContact CD2-CG 3.85Å; F777-F845 HydrophobicContact CD2-CG 3.85Å; F777-F845 HydrophobicContact CE2-CB 4.02Å; F777-F845 HydrophobicContact CG-CD1 4.43Å |
| 778 | K | 92.9 | Very high | 89.9 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 24% | 0.243 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.4 | -48.1 | 172.3 | 167.3 | 179.3 | 175.9 | -175.1 | 0 | 111.6 | E770 G774 S775 Y780 L781 M782 | E770-K778 HydrophobicContact CB-CB 3.98Å; E770-K778 HydrophobicContact CB-CD 3.8Å; E770-K778 HydrophobicContact CB-CG 4.48Å; E770-K778 HydrophobicContact CG-CD 4.3Å; E770-K778 WeakPolarHBondContact OE2-CD 3.27Å; E770-K778 IonicContact OE2-NZ 3.92Å; E770-K778 PolarHBondContact OE2-NZ 3.32Å; G774-K778 PolarHBondContact O-N 3.07Å; S775-K778 PolarHBondContact O-N 2.74Å; K778-Y780 VanDerWaalsContact C-N 3.35Å; K778-Y780 PolarHBondContact O-N 2.97Å; K778-L781 PolarHBondContact O-N 2.95Å; K778-M782 HydrophobicContact CG-SD 4.07Å; K778-M782 WeakPolarHBondContact O-CG 3.35Å; K778-M782 PolarHBondContact O-N 3.3Å |
| 779 | K | 91.9 | Very high | 89.7 | Confident | 124 Ų | 124 | 74.2 Ų | 74.2 | 54% | 0.539 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 179.2 | -176.1 | 179.5 | 173.4 | -176.3 | 0 | 111.4 | S775 E776 F777 L781 M782 E783 | S775-K779 PolarHBondContact O-N 2.95Å; S775-K779 VanDerWaalsContact O-N 3.08Å; E776-K779 PolarHBondContact O-N 3.21Å; F777-K779 VanDerWaalsContact C-N 3.3Å; F777-K779 PolarHBondContact O-N 2.98Å; K779-L781 VanDerWaalsContact C-N 3.35Å; K779-L781 PolarHBondContact O-N 3.37Å; K779-M782 PolarHBondContact O-N 2.86Å; K779-E783 WeakPolarHBondContact CE-OE1 3.33Å; K779-E783 HydrophobicContact CG-CG 4.44Å; K779-E783 IonicContact NZ-OE1 2.72Å; K779-E783 WeakPolarHBondContact O-CB 3.45Å; K779-E783 WeakPolarHBondContact O-CG 3.41Å; K779-E783 PolarHBondContact O-N 3.45Å |
| 780 | Y | 92 | Very high | 89.5 | Confident | 17 Ų | 17 | 74.5 Ų | 74.5 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.4 | -47.4 | 173.8 | 166.5 | -94 | 0 | 0 | 0 | 112.2 | E776 F777 K778 M782 E783 Q784 F785 F845 Q848 | E776-Y780 PolarHBondContact O-N 2.66Å; F777-Y780 AromaticContact CD2-CD1 3.97Å; F777-Y780 HydrophobicContact CD2-CD1 3.97Å; F777-Y780 AromaticContact CE2-CD1 3.92Å; F777-Y780 HydrophobicContact CE2-CD1 3.92Å; F777-Y780 HydrophobicContact CE2-CE1 4.31Å; F777-Y780 WeakPolarHBondContact O-CB 3.43Å; F777-Y780 PolarHBondContact O-N 3.25Å; K778-Y780 VanDerWaalsContact C-N 3.35Å; K778-Y780 PolarHBondContact O-N 2.97Å; Y780-M782 VanDerWaalsContact C-N 3.31Å; Y780-M782 PolarHBondContact O-N 2.97Å; Y780-E783 PolarHBondContact O-N 3.36Å; Y780-Q784 HydrophobicContact CD2-CG 3.65Å; Y780-Q784 HydrophobicContact CE2-CB 4.27Å; Y780-Q784 HydrophobicContact CE2-CG 3.5Å; Y780-Q784 HydrophobicContact CG-CG 4.36Å; Y780-Q784 WeakPolarHBondContact O-CB 3.19Å; Y780-Q784 WeakPolarHBondContact O-CG 3.45Å; Y780-Q784 PolarHBondContact O-N 2.97Å; Y780-F785 AromaticContact CE1-CE2 3.78Å; Y780-F785 HydrophobicContact CE1-CE2 3.78Å; Y780-F845 HydrophobicContact CD1-CB 3.66Å; Y780-F845 AromaticContact CD1-CD2 3.79Å; Y780-F845 HydrophobicContact CD1-CD2 3.79Å; Y780-F845 AromaticContact CD1-CG 3.99Å; Y780-F845 HydrophobicContact CD1-CG 3.99Å; Y780-F845 HydrophobicContact CD2-CB 4.48Å; Y780-F845 AromaticContact CD2-CD2 3.49Å; Y780-F845 HydrophobicContact CD2-CD2 3.49Å; Y780-F845 VanDerWaalsContact CD2-CD2 3.49Å; Y780-F845 HydrophobicContact CD2-CE2 4.19Å; Y780-F845 HydrophobicContact CD2-CG 4.41Å; Y780-F845 HydrophobicContact CE1-CB 3.58Å; Y780-F845 HydrophobicContact CE1-CD2 4.33Å; Y780-F845 HydrophobicContact CE1-CG 4.37Å; Y780-F845 HydrophobicContact CE2-CB 4.39Å; Y780-F845 HydrophobicContact CE2-CD2 4.03Å; Y780-F845 HydrophobicContact CG-CB 4.12Å; Y780-F845 AromaticContact CG-CD2 3.33Å; Y780-F845 HydrophobicContact CG-CD2 3.33Å; Y780-F845 HydrophobicContact CG-CE2 4.02Å; Y780-F845 HydrophobicContact CG-CG 4.02Å; Y780-Q848 PolarHBondContact OH-NE2 2.72Å; Y780-Q848 VanDerWaalsContact OH-NE2 3.13Å |
| 781 | L | 90.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -39.1 | -179.4 | -168.7 | 68.7 | 0 | 0 | 0 | 111.8 | Y766 A769 F777 K778 K779 F785 Y841 | Y766-L781 HydrophobicContact CD1-CB 4.41Å; Y766-L781 HydrophobicContact CD1-CD2 3.9Å; Y766-L781 HydrophobicContact CD1-CG 4.21Å; Y766-L781 HydrophobicContact CE1-CB 4.39Å; Y766-L781 HydrophobicContact CE1-CD2 4.09Å; Y766-L781 HydrophobicContact CE1-CG 4Å; A769-L781 HydrophobicContact CB-CD2 4.01Å; F777-L781 WeakPolarHBondContact O-CB 3.34Å; F777-L781 PolarHBondContact O-N 2.56Å; K778-L781 PolarHBondContact O-N 2.95Å; K779-L781 VanDerWaalsContact C-N 3.35Å; K779-L781 PolarHBondContact O-N 3.37Å; L781-F785 HydrophobicContact CD1-CD2 3.79Å; L781-F785 HydrophobicContact CD1-CE2 4.27Å; L781-F785 PolarHBondContact O-N 3.5Å; L781-Y841 HydrophobicContact CD1-CD1 4.17Å; L781-Y841 HydrophobicContact CD1-CD2 3.99Å; L781-Y841 HydrophobicContact CD1-CG 3.75Å |
| 782 | M | 89.7 | Confident | 89 | Confident | 106 Ų | 106 | 72.9 Ų | 72.9 | 52% | 0.522 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.3 | -29.8 | 176.8 | -68.7 | 179.4 | 74.7 | 0 | 0 | 113.7 | Y766 K778 K779 Y780 | Y766-M782 HydrophobicContact CD1-CG 3.38Å; Y766-M782 HydrophobicContact CD1-SD 4.4Å; Y766-M782 HydrophobicContact CD2-CG 4.36Å; Y766-M782 HydrophobicContact CE1-CB 4.23Å; Y766-M782 HydrophobicContact CE1-CG 3.4Å; Y766-M782 HydrophobicContact CE2-CG 4.35Å; Y766-M782 HydrophobicContact CG-CG 3.9Å; Y766-M782 HydrophobicContact CG-SD 4.41Å; K778-M782 HydrophobicContact CG-SD 4.07Å; K778-M782 WeakPolarHBondContact O-CG 3.35Å; K778-M782 PolarHBondContact O-N 3.3Å; K779-M782 PolarHBondContact O-N 2.86Å; Y780-M782 VanDerWaalsContact C-N 3.31Å; Y780-M782 PolarHBondContact O-N 2.97Å |
| 783 | E | 90.5 | Very high | 88.8 | Confident | 130 Ų | 130 | 72.1 Ų | 72.1 | 61% | 0.607 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -89.5 | -28.8 | -176.5 | -73.6 | 178.9 | 171.2 | 0 | 0 | 113.5 | K779 Y780 | K779-E783 WeakPolarHBondContact CE-OE1 3.33Å; K779-E783 HydrophobicContact CG-CG 4.44Å; K779-E783 IonicContact NZ-OE1 2.72Å; K779-E783 WeakPolarHBondContact O-CB 3.45Å; K779-E783 WeakPolarHBondContact O-CG 3.41Å; K779-E783 PolarHBondContact O-N 3.45Å; Y780-E783 PolarHBondContact O-N 3.36Å |
| 784 | Q | 86.6 | Confident | 88.4 | Confident | 106 Ų | 106 | 68.3 Ų | 68.3 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -100.2 | -20 | -172 | -66 | -65.2 | -27.8 | 0 | 0 | 114.8 | Y780 | Y780-Q784 HydrophobicContact CD2-CG 3.65Å; Y780-Q784 HydrophobicContact CE2-CB 4.27Å; Y780-Q784 HydrophobicContact CE2-CG 3.5Å; Y780-Q784 HydrophobicContact CG-CG 4.36Å; Y780-Q784 WeakPolarHBondContact O-CB 3.19Å; Y780-Q784 WeakPolarHBondContact O-CG 3.45Å; Y780-Q784 PolarHBondContact O-N 2.97Å |
| 785 | F | 83.9 | Confident | 88.1 | Confident | 55 Ų | 55 | 68.1 Ų | 68.1 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -124.9 | 139.4 | -174.7 | -60.4 | -79.7 | 0 | 0 | 0 | 110.9 | Y780 L781 D789 Y841 | Y780-F785 AromaticContact CE1-CE2 3.78Å; Y780-F785 HydrophobicContact CE1-CE2 3.78Å; L781-F785 HydrophobicContact CD1-CD2 3.79Å; L781-F785 HydrophobicContact CD1-CE2 4.27Å; L781-F785 PolarHBondContact O-N 3.5Å; F785-D789 HydrophobicContact CB-CB 4.44Å; F785-Y841 HydrophobicContact CD1-CD1 4.19Å; F785-Y841 AromaticContact CD1-CE1 3.54Å; F785-Y841 HydrophobicContact CD1-CE1 3.54Å; F785-Y841 HydrophobicContact CD2-CD1 4.03Å; F785-Y841 HydrophobicContact CD2-CE1 4.11Å; F785-Y841 AromaticContact CE1-CD1 3.74Å; F785-Y841 HydrophobicContact CE1-CD1 3.74Å; F785-Y841 AromaticContact CE1-CE1 3.34Å; F785-Y841 HydrophobicContact CE1-CE1 3.34Å; F785-Y841 AromaticContact CE2-CD1 3.53Å; F785-Y841 HydrophobicContact CE2-CD1 3.53Å; F785-Y841 AromaticContact CE2-CE1 3.91Å; F785-Y841 HydrophobicContact CE2-CE1 3.91Å; F785-Y841 HydrophobicContact CE2-CG 4.48Å; F785-Y841 HydrophobicContact CG-CD1 4.32Å; F785-Y841 AromaticContact CG-CE1 3.93Å; F785-Y841 HydrophobicContact CG-CE1 3.93Å; F785-Y841 AromaticContact CZ-CD1 3.37Å; F785-Y841 HydrophobicContact CZ-CD1 3.37Å; F785-Y841 AromaticContact CZ-CE1 3.53Å; F785-Y841 HydrophobicContact CZ-CE1 3.53Å |
| 786 | E | 81.8 | Confident | 87.7 | Confident | 141 Ų | 141 | 69.5 Ų | 69.5 | 66% | 0.659 | 33% | 0.33 | S | S | * | . | trans | -73.8 | 154.7 | 170.6 | -64.4 | -67.7 | 166.7 | 0 | 0 | 109.7 | V788 D789 | E786-V788 PolarHBondContact O-N 2.95Å; E786-V788 VanDerWaalsContact O-N 3.16Å; E786-D789 WeakPolarHBondContact CB-OD2 3.26Å; E786-D789 PolarHBondContact N-OD2 2.95Å; E786-D789 VanDerWaalsContact O-CB 3.3Å; E786-D789 WeakPolarHBondContact O-CB 3.38Å; E786-D789 PolarHBondContact O-N 3.27Å | ||
| 787 | Q | 71.6 | Confident | 87.2 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.6 | -38.4 | -174.5 | -56.5 | 171.1 | 6.4 | 0 | 0 | 112.3 | D789 P812 | Q787-D789 VanDerWaalsContact C-N 3.34Å; Q787-P812 VanDerWaalsContact CD-CG 3.48Å; Q787-P812 HydrophobicContact CG-CB 3.81Å; Q787-P812 HydrophobicContact CG-CG 4.49Å; Q787-P812 VanDerWaalsContact NE2-CB 3.28Å |
| 788 | V | 81.1 | Confident | 86.5 | Confident | 91 Ų | 91 | 69 Ų | 69 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -76.5 | -20.7 | -178 | -175 | 0 | 0 | 0 | 0 | 112.2 | E786 F790 L791 Y792 | E786-V788 PolarHBondContact O-N 2.95Å; E786-V788 VanDerWaalsContact O-N 3.16Å; V788-F790 VanDerWaalsContact C-N 3.28Å; V788-F790 PolarHBondContact O-N 3.28Å; V788-L791 PolarHBondContact O-N 3.41Å; V788-Y792 WeakPolarHBondContact O-CB 3.48Å; V788-Y792 PolarHBondContact O-N 2.92Å |
| 789 | D | 86.8 | Confident | 85.9 | Confident | 56 Ų | 56 | 67 Ų | 67 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | -175 | -69.7 | -24.2 | 0 | 0 | 0 | 111.6 | F785 E786 Q787 Y792 N793 | F785-D789 HydrophobicContact CB-CB 4.44Å; E786-D789 WeakPolarHBondContact CB-OD2 3.26Å; E786-D789 PolarHBondContact N-OD2 2.95Å; E786-D789 VanDerWaalsContact O-CB 3.3Å; E786-D789 WeakPolarHBondContact O-CB 3.38Å; E786-D789 PolarHBondContact O-N 3.27Å; Q787-D789 VanDerWaalsContact C-N 3.34Å; D789-Y792 PolarHBondContact O-N 3.43Å; D789-N793 VanDerWaalsContact O-CB 3.29Å; D789-N793 WeakPolarHBondContact O-CB 3.48Å; D789-N793 VanDerWaalsContact O-CG 3.27Å; D789-N793 PolarHBondContact O-N 2.65Å; D789-N793 PolarHBondContact O-ND2 3Å |
| 790 | F | 89 | Confident | 85.6 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -51 | 177 | -166.6 | -82.8 | 0 | 0 | 0 | 111.6 | I765 V788 Y792 N793 L794 L815 I834 L837 I838 Y841 | I765-F790 HydrophobicContact CD1-CB 3.8Å; I765-F790 HydrophobicContact CD1-CD1 4.31Å; I765-F790 HydrophobicContact CD1-CD2 3.84Å; I765-F790 HydrophobicContact CD1-CG 3.71Å; I765-F790 HydrophobicContact CG2-CD1 4.08Å; I765-F790 HydrophobicContact CG2-CE1 3.94Å; I765-F790 HydrophobicContact CG2-CE2 4.41Å; I765-F790 HydrophobicContact CG2-CG 4.39Å; I765-F790 HydrophobicContact CG2-CZ 4.12Å; V788-F790 VanDerWaalsContact C-N 3.28Å; V788-F790 PolarHBondContact O-N 3.28Å; F790-Y792 PolarHBondContact O-N 2.88Å; F790-N793 PolarHBondContact O-N 3.41Å; F790-L794 HydrophobicContact CE1-CD2 4.43Å; F790-L794 VanDerWaalsContact O-CB 3.3Å; F790-L794 WeakPolarHBondContact O-CB 3.46Å; F790-L794 PolarHBondContact O-N 3.13Å; F790-L815 HydrophobicContact CD1-CD1 4.03Å; F790-L815 HydrophobicContact CD1-CD2 4.16Å; F790-L815 HydrophobicContact CE1-CD1 3.74Å; F790-I834 HydrophobicContact CE1-CG2 4.41Å; F790-I834 HydrophobicContact CZ-CG2 4.12Å; F790-L837 HydrophobicContact CD1-CD2 4.2Å; F790-L837 HydrophobicContact CD2-CD2 4.16Å; F790-L837 HydrophobicContact CD2-CG 4.47Å; F790-L837 HydrophobicContact CE1-CD2 3.97Å; F790-L837 HydrophobicContact CE2-CB 4.43Å; F790-L837 HydrophobicContact CE2-CD2 3.92Å; F790-L837 HydrophobicContact CE2-CG 3.97Å; F790-L837 HydrophobicContact CG-CD2 4.27Å; F790-L837 HydrophobicContact CZ-CB 4.24Å; F790-L837 HydrophobicContact CZ-CD2 3.82Å; F790-L837 HydrophobicContact CZ-CG 4.12Å; F790-L837 WeakPolarHBondContact O-CD2 3.37Å; F790-I838 HydrophobicContact CE2-CG1 3.69Å; F790-I838 HydrophobicContact CZ-CD1 4.47Å; F790-I838 HydrophobicContact CZ-CG1 3.88Å; F790-Y841 HydrophobicContact CD2-CD2 4.06Å; F790-Y841 AromaticContact CD2-CE2 3.46Å; F790-Y841 HydrophobicContact CD2-CE2 3.46Å; F790-Y841 VanDerWaalsContact CD2-CE2 3.46Å; F790-Y841 HydrophobicContact CE2-CD2 4.08Å; F790-Y841 AromaticContact CE2-CE2 3.82Å; F790-Y841 HydrophobicContact CE2-CE2 3.82Å; F790-Y841 HydrophobicContact CG-CE2 4.41Å |
| 791 | L | 87.7 | Confident | 85.2 | Confident | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 178.3 | -76.2 | 171.3 | 0 | 0 | 0 | 112.2 | V788 L794 S795 L802 D804 L815 | V788-L791 PolarHBondContact O-N 3.41Å; L791-L794 PolarHBondContact O-N 3.41Å; L791-S795 WeakPolarHBondContact O-CB 3.5Å; L791-S795 PolarHBondContact O-N 3.11Å; L791-L802 HydrophobicContact CD2-CB 3.67Å; L791-D804 HydrophobicContact CD1-CB 3.65Å; L791-L815 HydrophobicContact CD1-CD2 4.47Å; L791-L815 HydrophobicContact CD2-CD2 3.7Å; L791-L815 HydrophobicContact CG-CD2 3.89Å |
| 792 | Y | 87.9 | Confident | 85 | Confident | 131 Ų | 131 | 64 Ų | 64 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 177.2 | 177.4 | -98.5 | 0 | 0 | 0 | 111.4 | V788 D789 F790 S795 Q796 | V788-Y792 WeakPolarHBondContact O-CB 3.48Å; V788-Y792 PolarHBondContact O-N 2.92Å; D789-Y792 PolarHBondContact O-N 3.43Å; F790-Y792 PolarHBondContact O-N 2.88Å; Y792-S795 PolarHBondContact O-N 2.87Å; Y792-Q796 HydrophobicContact CD1-CG 4.2Å; Y792-Q796 HydrophobicContact CD2-CG 4.34Å; Y792-Q796 HydrophobicContact CE1-CG 3.76Å; Y792-Q796 HydrophobicContact CE2-CG 3.91Å; Y792-Q796 HydrophobicContact CG-CG 4.47Å; Y792-Q796 WeakPolarHBondContact O-CB 3.47Å; Y792-Q796 WeakPolarHBondContact O-CG 3.48Å; Y792-Q796 PolarHBondContact O-N 3.17Å |
| 793 | N | 89.8 | Confident | 84.8 | Confident | 56 Ų | 56 | 62 Ų | 62 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 179.2 | -73.1 | -26.1 | 0 | 0 | 0 | 111.9 | D789 F790 S795 Q796 K797 L837 Y841 | D789-N793 VanDerWaalsContact O-CB 3.29Å; D789-N793 WeakPolarHBondContact O-CB 3.48Å; D789-N793 VanDerWaalsContact O-CG 3.27Å; D789-N793 PolarHBondContact O-N 2.65Å; D789-N793 PolarHBondContact O-ND2 3Å; F790-N793 PolarHBondContact O-N 3.41Å; N793-S795 VanDerWaalsContact C-N 3.32Å; N793-S795 PolarHBondContact O-N 3.33Å; N793-Q796 PolarHBondContact O-N 2.74Å; N793-K797 WeakPolarHBondContact O-CB 3.38Å; N793-K797 PolarHBondContact O-N 2.77Å; N793-L837 HydrophobicContact CB-CD1 4.1Å; N793-L837 HydrophobicContact CB-CD2 4.13Å; N793-Y841 PolarHBondContact ND2-OH 3.32Å |
| 794 | L | 87.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 173.6 | -171.2 | 65.4 | 0 | 0 | 0 | 111.5 | F790 L791 N798 G799 V800 L802 Q833 I834 L837 | F790-L794 HydrophobicContact CE1-CD2 4.43Å; F790-L794 VanDerWaalsContact O-CB 3.3Å; F790-L794 WeakPolarHBondContact O-CB 3.46Å; F790-L794 PolarHBondContact O-N 3.13Å; L791-L794 PolarHBondContact O-N 3.41Å; L794-N798 HydrophobicContact CD1-CB 4.34Å; L794-N798 WeakPolarHBondContact O-CA 3.42Å; L794-N798 WeakPolarHBondContact O-CB 3.15Å; L794-N798 PolarHBondContact O-N 2.94Å; L794-G799 PolarHBondContact O-N 3.19Å; L794-V800 CarbonylContact C-O 3.43Å; L794-V800 HydrophobicContact CD1-CB 4.42Å; L794-V800 HydrophobicContact CD2-CB 4.28Å; L794-V800 HydrophobicContact CD2-CG1 3.72Å; L794-V800 HydrophobicContact CG-CB 3.95Å; L794-V800 HydrophobicContact CG-CG1 3.96Å; L794-L802 HydrophobicContact CD2-CD1 3.97Å; L794-L802 HydrophobicContact CD2-CG 4.46Å; L794-Q833 HydrophobicContact CD1-CB 4.2Å; L794-I834 HydrophobicContact CD1-CG1 4.46Å; L794-I834 HydrophobicContact CD2-CG1 4.11Å; L794-L837 HydrophobicContact CB-CD2 3.82Å; L794-L837 HydrophobicContact CD1-CD2 4.24Å |
| 795 | S | 87.9 | Confident | 84.1 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.3 | -45.8 | 175.8 | 176.8 | 0 | 0 | 0 | 0 | 113 | L791 Y792 N793 G799 V800 | L791-S795 WeakPolarHBondContact O-CB 3.5Å; L791-S795 PolarHBondContact O-N 3.11Å; Y792-S795 PolarHBondContact O-N 2.87Å; N793-S795 VanDerWaalsContact C-N 3.32Å; N793-S795 PolarHBondContact O-N 3.33Å; S795-G799 VanDerWaalsContact O-CA 3.25Å; S795-G799 WeakPolarHBondContact O-CA 3.38Å; S795-G799 PolarHBondContact O-N 3.11Å; S795-G799 VanDerWaalsContact O-N 3.12Å; S795-V800 WeakPolarHBondContact CA-O 3.27Å; S795-V800 PolarHBondContact N-O 3.47Å |
| 796 | Q | 84.5 | Confident | 84 | Confident | 102 Ų | 102 | 52.6 Ų | 52.6 | 48% | 0.477 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | -176.8 | -75.5 | -66.4 | -41.9 | 0 | 0 | 111.9 | Y792 N793 | Y792-Q796 HydrophobicContact CD1-CG 4.2Å; Y792-Q796 HydrophobicContact CD2-CG 4.34Å; Y792-Q796 HydrophobicContact CE1-CG 3.76Å; Y792-Q796 HydrophobicContact CE2-CG 3.91Å; Y792-Q796 HydrophobicContact CG-CG 4.47Å; Y792-Q796 WeakPolarHBondContact O-CB 3.47Å; Y792-Q796 WeakPolarHBondContact O-CG 3.48Å; Y792-Q796 PolarHBondContact O-N 3.17Å; N793-Q796 PolarHBondContact O-N 2.74Å |
| 797 | K | 82.9 | Confident | 83.9 | Confident | 115 Ų | 115 | 48 Ų | 48 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -87.4 | -46.4 | -172.4 | -176.4 | 171 | -175.2 | 164.7 | 0 | 112.7 | N793 E840 | N793-K797 WeakPolarHBondContact O-CB 3.38Å; N793-K797 PolarHBondContact O-N 2.77Å; K797-E840 IonicContact NZ-OE1 3.81Å; K797-E840 PolarHBondContact NZ-OE1 3.19Å; K797-E840 IonicContact NZ-OE2 2.59Å; K797-E840 PolarHBondContact NZ-OE2 3.12Å |
| 798 | N | 80.1 | Confident | 84.4 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -107.6 | -10.5 | -169.3 | -59.2 | 90.2 | 0 | 0 | 0 | 112.5 | L794 V800 Q833 | L794-N798 HydrophobicContact CD1-CB 4.34Å; L794-N798 WeakPolarHBondContact O-CA 3.42Å; L794-N798 WeakPolarHBondContact O-CB 3.15Å; L794-N798 PolarHBondContact O-N 2.94Å; N798-V800 HydrophobicContact CB-CG2 4.48Å; N798-V800 PolarHBondContact O-N 3.01Å; N798-Q833 HydrophobicContact CB-CB 4.13Å; N798-Q833 HydrophobicContact CB-CG 4.12Å; N798-Q833 VanDerWaalsContact ND2-CG 3.34Å; N798-Q833 WeakPolarHBondContact ND2-CG 3.49Å |
| 799 | G | 81.4 | Confident | 84.4 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | trans | 71.2 | 14.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K355 L794 S795 | K355-G799 PolarHBondContact NZ-O 3.08Å; L794-G799 PolarHBondContact O-N 3.19Å; S795-G799 VanDerWaalsContact O-CA 3.25Å; S795-G799 WeakPolarHBondContact O-CA 3.38Å; S795-G799 PolarHBondContact O-N 3.11Å; S795-G799 VanDerWaalsContact O-N 3.12Å | ||
| 800 | V | 84.5 | Confident | 84.2 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 11% | 0.109 | 22% | 0.216 | C | C | . | . | trans | -91.7 | 122.2 | 177.9 | 167.3 | 0 | 0 | 0 | 0 | 109.6 | L794 S795 N798 L802 I830 | L794-V800 CarbonylContact C-O 3.43Å; L794-V800 HydrophobicContact CD1-CB 4.42Å; L794-V800 HydrophobicContact CD2-CB 4.28Å; L794-V800 HydrophobicContact CD2-CG1 3.72Å; L794-V800 HydrophobicContact CG-CB 3.95Å; L794-V800 HydrophobicContact CG-CG1 3.96Å; S795-V800 WeakPolarHBondContact CA-O 3.27Å; S795-V800 PolarHBondContact N-O 3.47Å; N798-V800 HydrophobicContact CB-CG2 4.48Å; N798-V800 PolarHBondContact O-N 3.01Å; V800-L802 HydrophobicContact CG1-CD1 4.2Å; V800-L802 HydrophobicContact CG1-CD2 4.29Å; V800-L802 HydrophobicContact CG1-CG 3.86Å; V800-I830 HydrophobicContact CG1-CG1 4.01Å; V800-I830 HydrophobicContact CG1-CG2 4.42Å; V800-I830 HydrophobicContact CG2-CG1 3.97Å | ||
| 801 | V | 83.8 | Confident | 83.9 | Confident | 38 Ų | 38 | 44.2 Ų | 44.2 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | trans | -115.1 | 108.9 | -179.2 | -177 | 0 | 0 | 0 | 0 | 108.2 | K355 | K355-V801 HydrophobicContact CB-CB 4.48Å; K355-V801 HydrophobicContact CB-CG2 4.41Å | ||
| 802 | L | 87 | Confident | 83.7 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | trans | -112.2 | 165.6 | 174.9 | -59.8 | 176.8 | 0 | 0 | 0 | 110 | L791 L794 V800 L815 V817 I830 I834 | L791-L802 HydrophobicContact CD2-CB 3.67Å; L794-L802 HydrophobicContact CD2-CD1 3.97Å; L794-L802 HydrophobicContact CD2-CG 4.46Å; V800-L802 HydrophobicContact CG1-CD1 4.2Å; V800-L802 HydrophobicContact CG1-CD2 4.29Å; V800-L802 HydrophobicContact CG1-CG 3.86Å; L802-L815 HydrophobicContact CD1-CB 4.33Å; L802-L815 HydrophobicContact CD1-CD1 4.28Å; L802-V817 HydrophobicContact CD1-CG2 3.94Å; L802-V817 HydrophobicContact CD2-CG2 4.06Å; L802-I830 HydrophobicContact CD1-CG2 4.24Å; L802-I834 HydrophobicContact CD1-CD1 4.19Å | ||
| 803 | M | 83.7 | Confident | 83.5 | Confident | 64 Ų | 64 | 39.1 Ų | 39.1 | 32% | 0.315 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 145.7 | 174.4 | -70.3 | -177.5 | 73.9 | 0 | 0 | 110.6 | F808 R816 | M803-F808 HydrophobicContact CE-CE2 3.79Å; M803-F808 HydrophobicContact CE-CZ 3.7Å; M803-F808 HydrophobicContact SD-CE2 4.49Å; M803-F808 HydrophobicContact SD-CZ 4.29Å; M803-R816 HydrophobicContact CB-CB 4.26Å; M803-R816 PolarHBondContact O-N 3.1Å |
| 804 | D | 83.6 | Confident | 83.5 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 138.9 | 167.2 | -165.3 | -8.6 | 0 | 0 | 0 | 110 | L791 V806 | L791-D804 HydrophobicContact CD1-CB 3.65Å; D804-V806 VanDerWaalsContact C-N 3.33Å; D804-V806 PolarHBondContact OD1-N 3.34Å |
| 805 | G | 80.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -71.4 | -24.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G807 F808 S810 E814 | G805-G807 PolarHBondContact O-N 3.33Å; G805-G807 VanDerWaalsContact O-N 3.11Å; G805-F808 WeakPolarHBondContact O-CA 3.36Å; G805-F808 WeakPolarHBondContact O-CB 3.42Å; G805-F808 PolarHBondContact O-N 3.45Å; G805-S810 WeakPolarHBondContact CA-OG 3.31Å; G805-S810 WeakPolarHBondContact O-CB 3.37Å; G805-S810 PolarHBondContact O-N 3.22Å; G805-S810 PolarHBondContact O-OG 2.76Å; G805-E814 WeakPolarHBondContact CA-O 3.15Å; G805-E814 PolarHBondContact N-O 3.2Å |
| 806 | V | 80.8 | Confident | 83.8 | Confident | 58 Ų | 58 | 36.3 Ų | 36.3 | 35% | 0.352 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -54.2 | -37.3 | -178.8 | 175.9 | 0 | 0 | 0 | 0 | 112.6 | D804 F808 G809 P812 | D804-V806 VanDerWaalsContact C-N 3.33Å; D804-V806 PolarHBondContact OD1-N 3.34Å; V806-F808 PolarHBondContact O-N 3.48Å; V806-F808 VanDerWaalsContact O-N 3.11Å; V806-G809 PolarHBondContact O-N 3.25Å; V806-P812 HydrophobicContact CG2-CB 4.44Å; V806-P812 HydrophobicContact CG2-CG 4.09Å |
| 807 | G | 78.6 | Confident | 84.1 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 44% | 0.443 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -66.3 | -10 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | T524 G805 | T524-G807 WeakPolarHBondContact CB-O 3.35Å; T524-G807 WeakPolarHBondContact CG2-O 3.4Å; T524-G807 PolarHBondContact OG1-O 2.65Å; G805-G807 PolarHBondContact O-N 3.33Å; G805-G807 VanDerWaalsContact O-N 3.11Å |
| 808 | F | 83.3 | Confident | 84.7 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -104.8 | 11.4 | 174.6 | -59.3 | -91 | 0 | 0 | 0 | 111.7 | P521 I522 F523 T524 P576 M803 G805 V806 S810 R816 | P521-F808 CarbonylContact C-O 3.48Å; P521-F808 VanDerWaalsContact CA-O 3.23Å; P521-F808 WeakPolarHBondContact CA-O 3.45Å; P521-F808 WeakPolarHBondContact CB-O 3.4Å; I522-F808 PolarHBondContact N-O 3.07Å; I522-F808 WeakPolarHBondContact O-CA 3.34Å; I522-F808 WeakPolarHBondContact O-CB 3.43Å; I522-F808 WeakPolarHBondContact O-CD1 3.24Å; F523-F808 HydrophobicContact CD2-CE1 4.42Å; T524-F808 WeakPolarHBondContact OG1-CD1 3.27Å; P576-F808 VanDerWaalsContact CD-CB 3.41Å; P576-F808 HydrophobicContact CG-CB 3.94Å; P576-F808 HydrophobicContact CG-CD2 4.47Å; P576-F808 HydrophobicContact CG-CG 4.09Å; M803-F808 HydrophobicContact CE-CE2 3.79Å; M803-F808 HydrophobicContact CE-CZ 3.7Å; M803-F808 HydrophobicContact SD-CE2 4.49Å; M803-F808 HydrophobicContact SD-CZ 4.29Å; G805-F808 WeakPolarHBondContact O-CA 3.36Å; G805-F808 WeakPolarHBondContact O-CB 3.42Å; G805-F808 PolarHBondContact O-N 3.45Å; V806-F808 PolarHBondContact O-N 3.48Å; V806-F808 VanDerWaalsContact O-N 3.11Å; F808-S810 VanDerWaalsContact C-N 3.3Å; F808-R816 VanDerWaalsContact CE2-CD 3.4Å; F808-R816 VanDerWaalsContact CZ-CZ 3.46Å; F808-R816 VanDerWaalsContact CZ-NH1 3.28Å |
| 809 | G | 80.1 | Confident | 85.4 | Confident | 23 Ų | 23 | 24.9 Ų | 24.9 | 24% | 0.237 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 10.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R543 V806 | R543-G809 PolarHBondContact NH1-O 2.86Å; V806-G809 PolarHBondContact O-N 3.25Å |
| 810 | S | 83.1 | Confident | 86 | Confident | 9 Ų | 9 | 24.1 Ų | 24.1 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | trans | -84.1 | 179.9 | -179.6 | 100.5 | 0 | 0 | 0 | 0 | 112.2 | G805 F808 E814 | G805-S810 WeakPolarHBondContact CA-OG 3.31Å; G805-S810 WeakPolarHBondContact O-CB 3.37Å; G805-S810 PolarHBondContact O-N 3.22Å; G805-S810 PolarHBondContact O-OG 2.76Å; F808-S810 VanDerWaalsContact C-N 3.3Å; S810-E814 WeakPolarHBondContact CB-OE2 3.33Å; S810-E814 PolarHBondContact OG-OE2 3.22Å | ||
| 811 | Q | 83.5 | Confident | 86.2 | Confident | 112 Ų | 112 | 24.1 Ų | 24.1 | 52% | 0.523 | 15% | 0.146 | S | C | . | . | trans | -80.3 | 150 | -177.5 | -62.5 | -65.5 | -29.7 | 0 | 0 | 112.2 | G813 E814 | Q811-G813 PolarHBondContact O-N 2.58Å; Q811-E814 HydrophobicContact CB-CG 4.45Å; Q811-E814 WeakPolarHBondContact CB-OE1 3.26Å; Q811-E814 PolarHBondContact N-OE2 2.99Å; Q811-E814 WeakPolarHBondContact O-CB 3.22Å; Q811-E814 WeakPolarHBondContact O-CG 3.4Å; Q811-E814 PolarHBondContact O-N 2.94Å | ||
| 812 | P | 82.3 | Confident | 86.6 | Confident | 42 Ų | 42 | 23.4 Ų | 23.4 | 27% | 0.273 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.4 | 135.3 | 165.1 | -37.6 | 43 | 0 | 0 | 0 | 115 | Y766 Q787 V806 E814 | Y766-P812 WeakPolarHBondContact CE2-O 3.4Å; Q787-P812 VanDerWaalsContact CD-CG 3.48Å; Q787-P812 HydrophobicContact CG-CB 3.81Å; Q787-P812 HydrophobicContact CG-CG 4.49Å; Q787-P812 VanDerWaalsContact NE2-CB 3.28Å; V806-P812 HydrophobicContact CG2-CB 4.44Å; V806-P812 HydrophobicContact CG2-CG 4.09Å; P812-E814 VanDerWaalsContact C-N 3.33Å |
| 813 | G | 84.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 1.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I765 Q811 | I765-G813 WeakPolarHBondContact CG1-O 3.31Å; I765-G813 PolarHBondContact N-O 2.95Å; Q811-G813 PolarHBondContact O-N 2.58Å |
| 814 | E | 89.2 | Confident | 87.1 | Confident | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 112.1 | 172.3 | -66.8 | 172.4 | 176.6 | 0 | 0 | 110.3 | W550 L762 I763 N764 G805 S810 Q811 P812 | W550-E814 VanDerWaalsContact CH2-OE1 3.3Å; W550-E814 WeakPolarHBondContact CH2-OE1 3.37Å; L762-E814 HydrophobicContact CD2-CB 4.24Å; I763-E814 CarbonylContact O-C 3.56Å; I763-E814 WeakPolarHBondContact O-CA 3.38Å; N764-E814 HydrophobicContact CB-CG 4.27Å; G805-E814 WeakPolarHBondContact CA-O 3.15Å; G805-E814 PolarHBondContact N-O 3.2Å; S810-E814 WeakPolarHBondContact CB-OE2 3.33Å; S810-E814 PolarHBondContact OG-OE2 3.22Å; Q811-E814 HydrophobicContact CB-CG 4.45Å; Q811-E814 WeakPolarHBondContact CB-OE1 3.26Å; Q811-E814 PolarHBondContact N-OE2 2.99Å; Q811-E814 WeakPolarHBondContact O-CB 3.22Å; Q811-E814 WeakPolarHBondContact O-CG 3.4Å; Q811-E814 PolarHBondContact O-N 2.94Å; P812-E814 VanDerWaalsContact C-N 3.33Å |
| 815 | L | 90.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128 | 176.3 | -45.5 | 178.6 | 0 | 0 | 0 | 109.4 | L762 I763 I765 F790 L791 L802 I834 | L762-L815 WeakPolarHBondContact CA-O 3.44Å; I763-L815 HydrophobicContact CB-CB 4.33Å; I763-L815 PolarHBondContact N-O 2.78Å; I763-L815 PolarHBondContact O-N 3.47Å; I765-L815 HydrophobicContact CG2-CD1 3.52Å; I765-L815 HydrophobicContact CG2-CD2 4.04Å; I765-L815 HydrophobicContact CG2-CG 3.62Å; F790-L815 HydrophobicContact CD1-CD1 4.03Å; F790-L815 HydrophobicContact CD1-CD2 4.16Å; F790-L815 HydrophobicContact CE1-CD1 3.74Å; L791-L815 HydrophobicContact CD1-CD2 4.47Å; L791-L815 HydrophobicContact CD2-CD2 3.7Å; L791-L815 HydrophobicContact CG-CD2 3.89Å; L802-L815 HydrophobicContact CD1-CB 4.33Å; L802-L815 HydrophobicContact CD1-CD1 4.28Å; L815-I834 HydrophobicContact CD1-CD1 4.06Å; L815-I834 HydrophobicContact CD1-CG1 4.33Å |
| 816 | R | 90.5 | Very high | 87.9 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 6% | 0.057 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 115.9 | 173.6 | -177.7 | 179.7 | 179.9 | -115.5 | 5 | 110.4 | N575 P576 Y760 S761 L762 M803 F808 | N575-R816 PolarHBondContact ND2-NH2 3.16Å; N575-R816 PolarHBondContact OD1-NE 3.12Å; N575-R816 PolarHBondContact OD1-NH2 2.98Å; P576-R816 HydrophobicContact CB-CG 3.8Å; Y760-R816 HydrophobicContact CD1-CG 4.39Å; Y760-R816 PolarHBondContact OH-NH2 2.71Å; S761-R816 WeakPolarHBondContact O-CA 3.11Å; L762-R816 HydrophobicContact CD2-CB 4.29Å; M803-R816 HydrophobicContact CB-CB 4.26Å; M803-R816 PolarHBondContact O-N 3.1Å; F808-R816 VanDerWaalsContact CE2-CD 3.4Å; F808-R816 VanDerWaalsContact CZ-CZ 3.46Å; F808-R816 VanDerWaalsContact CZ-NH1 3.28Å |
| 817 | V | 92.7 | Very high | 88.5 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 144.9 | 171.5 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | L742 Y760 S761 I763 L802 Y827 | L742-V817 HydrophobicContact CD2-CB 4.02Å; L742-V817 HydrophobicContact CD2-CG1 3.84Å; L742-V817 HydrophobicContact CD2-CG2 4.28Å; Y760-V817 VanDerWaalsContact CA-O 3.28Å; Y760-V817 WeakPolarHBondContact CA-O 3.39Å; S761-V817 PolarHBondContact N-O 2.98Å; S761-V817 PolarHBondContact O-N 3.44Å; I763-V817 HydrophobicContact CD1-CG2 3.57Å; I763-V817 HydrophobicContact CG1-CG2 4.41Å; L802-V817 HydrophobicContact CD1-CG2 3.94Å; L802-V817 HydrophobicContact CD2-CG2 4.06Å; V817-Y827 HydrophobicContact CG1-CD1 4.28Å; V817-Y827 HydrophobicContact CG1-CE1 4.13Å |
| 818 | S | 93.9 | Very high | 89.2 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.5 | 176.1 | 147.6 | 0 | 0 | 0 | 0 | 108.3 | G361 A820 N821 Y827 | G361-S818 WeakPolarHBondContact CA-OG 3.34Å; S818-A820 VanDerWaalsContact C-N 3.26Å; S818-A820 PolarHBondContact O-N 3.48Å; S818-A820 PolarHBondContact OG-N 2.9Å; S818-N821 WeakPolarHBondContact CB-ND2 3.3Å; S818-N821 PolarHBondContact O-OD1 3.26Å; S818-N821 VanDerWaalsContact OG-CG 3.25Å; S818-N821 PolarHBondContact OG-ND2 3.47Å; S818-N821 PolarHBondContact OG-OD1 3.44Å; S818-Y827 VanDerWaalsContact O-CE1 3.31Å; S818-Y827 WeakPolarHBondContact O-CE1 3.12Å; S818-Y827 PolarHBondContact O-OH 3.43Å |
| 819 | E | 95.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 4.3 | -178.9 | -69.7 | 66.4 | -151.6 | 0 | 0 | 112.4 | V735 R738 L742 K758 Y759 Y760 S761 Y827 | V735-E819 HydrophobicContact CB-CB 4.26Å; V735-E819 HydrophobicContact CG1-CB 4.49Å; R738-E819 HydrophobicContact CB-CB 4.11Å; R738-E819 HydrophobicContact CB-CG 4.26Å; R738-E819 WeakPolarHBondContact CD-O 3.42Å; R738-E819 PolarHBondContact NH1-O 3.01Å; L742-E819 WeakPolarHBondContact CD2-OE1 3.42Å; K758-E819 WeakPolarHBondContact O-CB 3.35Å; Y759-E819 PolarHBondContact O-N 3.44Å; Y759-E819 VanDerWaalsContact O-N 3.11Å; Y760-E819 WeakPolarHBondContact CA-OE2 3.39Å; Y760-E819 PolarHBondContact N-OE2 3.49Å; Y760-E819 VanDerWaalsContact N-OE2 3.17Å; S761-E819 VanDerWaalsContact CB-OE1 3.24Å; S761-E819 WeakPolarHBondContact CB-OE1 3.31Å; S761-E819 PolarHBondContact N-OE2 3.45Å; S761-E819 VanDerWaalsContact OG-CD 3.23Å; S761-E819 PolarHBondContact OG-OE1 3.3Å; E819-Y827 VanDerWaalsContact CA-OH 3.23Å; E819-Y827 WeakPolarHBondContact CA-OH 3.48Å; E819-Y827 HydrophobicContact CB-CE1 4.38Å; E819-Y827 HydrophobicContact CG-CE1 4.19Å; E819-Y827 PolarHBondContact O-OH 3.12Å |
| 820 | A | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -25.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P363 N364 W365 R738 Y759 S818 | P363-A820 CarbonylContact C-O 3.59Å; P363-A820 VanDerWaalsContact CA-O 3.29Å; P363-A820 WeakPolarHBondContact CA-O 3.47Å; P363-A820 HydrophobicContact CB-CB 4.34Å; N364-A820 PolarHBondContact N-O 2.85Å; N364-A820 PolarHBondContact OD1-O 3.42Å; W365-A820 HydrophobicContact CH2-CB 3.63Å; W365-A820 HydrophobicContact CZ3-CB 4.02Å; W365-A820 WeakPolarHBondContact CZ3-O 3.23Å; R738-A820 PolarHBondContact NH1-O 3.3Å; Y759-A820 HydrophobicContact CD1-CB 4.35Å; Y759-A820 HydrophobicContact CD2-CB 4.48Å; Y759-A820 HydrophobicContact CE1-CB 3.62Å; Y759-A820 HydrophobicContact CE2-CB 3.76Å; Y759-A820 WeakPolarHBondContact OH-CB 3.33Å; S818-A820 VanDerWaalsContact C-N 3.26Å; S818-A820 PolarHBondContact O-N 3.48Å; S818-A820 PolarHBondContact OG-N 2.9Å |
| 821 | N | 90.3 | Very high | 90.8 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 10% | 0.096 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -106.1 | -33.9 | -155.2 | 56.6 | -0.4 | 0 | 0 | 0 | 114.7 | K358 N362 N364 S818 Y827 | K358-N821 PolarHBondContact O-ND2 2.96Å; N362-N821 WeakPolarHBondContact O-CA 3.28Å; N362-N821 WeakPolarHBondContact O-CB 3.47Å; N364-N821 PolarHBondContact ND2-O 3.19Å; S818-N821 WeakPolarHBondContact CB-ND2 3.3Å; S818-N821 PolarHBondContact O-OD1 3.26Å; S818-N821 VanDerWaalsContact OG-CG 3.25Å; S818-N821 PolarHBondContact OG-ND2 3.47Å; S818-N821 PolarHBondContact OG-OD1 3.44Å; N821-Y827 PolarHBondContact OD1-OH 3.27Å |
| 822 | L | 90.9 | Very high | 91.3 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 12% | 0.115 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -94.4 | 154.4 | -175.1 | -63.9 | 176.5 | 0 | 0 | 0 | 111.5 | K358 N364 R738 D826 Y827 I830 | K358-L822 HydrophobicContact CB-CD2 4.09Å; K358-L822 HydrophobicContact CD-CD2 3.5Å; K358-L822 HydrophobicContact CG-CD2 3.93Å; N364-L822 PolarHBondContact ND2-O 3.37Å; R738-L822 PolarHBondContact NE-O 2.92Å; R738-L822 PolarHBondContact NH1-O 3.33Å; R738-L822 PolarHBondContact NH2-O 2.9Å; R738-L822 VanDerWaalsContact NH2-O 3.14Å; L822-D826 HydrophobicContact CB-CB 3.99Å; L822-D826 HydrophobicContact CD1-CB 4.19Å; L822-Y827 HydrophobicContact CB-CE2 3.86Å; L822-Y827 PolarHBondContact N-OH 3.01Å; L822-I830 HydrophobicContact CD1-CD1 3.36Å |
| 823 | P | 90.6 | Very high | 91.8 | Very high | 46 Ų | 46 | 31.9 Ų | 31.9 | 30% | 0.299 | 15% | 0.154 | S | C | . | . | trans | -49.5 | 156.2 | 161.8 | -24.7 | 33.7 | 0 | 0 | 0 | 112.3 | E825 D826 Y827 | P823-E825 VanDerWaalsContact CB-CD 3.46Å; P823-E825 HydrophobicContact CB-CG 4.31Å; P823-E825 WeakPolarHBondContact CB-OE1 3.41Å; P823-E825 WeakPolarHBondContact CB-OE2 3.37Å; P823-E825 PolarHBondContact O-N 3.12Å; P823-D826 WeakPolarHBondContact CD-OD2 3.27Å; P823-D826 PolarHBondContact O-N 3.2Å; P823-Y827 WeakPolarHBondContact O-CD2 3.49Å; P823-Y827 VanDerWaalsContact O-CE2 3.24Å; P823-Y827 WeakPolarHBondContact O-CE2 3.48Å | ||
| 824 | D | 91 | Very high | 92.2 | Very high | 37 Ų | 37 | 31.8 Ų | 31.8 | 20% | 0.198 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -38.9 | -171.7 | -62.1 | -0.8 | 0 | 0 | 0 | 111.5 | R737 R738 D826 Y827 | R737-D824 IonicContact CZ-OD2 3.85Å; R737-D824 IonicContact NE-OD2 3.03Å; R737-D824 PolarHBondContact NE-OD2 3.15Å; R737-D824 IonicContact NH2-OD2 3.76Å; R737-D824 PolarHBondContact NH2-OD2 3.16Å; R738-D824 IonicContact CZ-OD1 2.85Å; R738-D824 VanDerWaalsContact CZ-OD1 3.28Å; R738-D824 IonicContact NE-OD1 3.92Å; R738-D824 PolarHBondContact NE-OD1 3.12Å; R738-D824 IonicContact NH2-OD1 2.88Å; R738-D824 PolarHBondContact NH2-OD1 2.98Å; D824-D826 PolarHBondContact O-N 3.34Å; D824-Y827 WeakPolarHBondContact O-CD2 3.48Å; D824-Y827 PolarHBondContact O-N 2.89Å |
| 825 | E | 90.1 | Very high | 92.5 | Very high | 123 Ų | 123 | 33.8 Ų | 33.8 | 58% | 0.575 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -62.6 | -24.8 | 178.2 | 61.3 | -88.5 | -155.6 | 0 | 0 | 113.9 | P823 Y827 I829 | P823-E825 VanDerWaalsContact CB-CD 3.46Å; P823-E825 HydrophobicContact CB-CG 4.31Å; P823-E825 WeakPolarHBondContact CB-OE1 3.41Å; P823-E825 WeakPolarHBondContact CB-OE2 3.37Å; P823-E825 PolarHBondContact O-N 3.12Å; E825-Y827 VanDerWaalsContact C-N 3.26Å; E825-Y827 PolarHBondContact O-N 3.44Å; E825-I829 WeakPolarHBondContact O-CG1 3.41Å; E825-I829 PolarHBondContact O-N 3.25Å |
| 826 | D | 91.5 | Very high | 92.7 | Very high | 45 Ų | 45 | 36.9 Ų | 36.9 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.5 | -24.7 | -177.2 | -80.6 | -7.3 | 0 | 0 | 0 | 111.8 | L822 P823 D824 I829 I830 | L822-D826 HydrophobicContact CB-CB 3.99Å; L822-D826 HydrophobicContact CD1-CB 4.19Å; P823-D826 WeakPolarHBondContact CD-OD2 3.27Å; P823-D826 PolarHBondContact O-N 3.2Å; D824-D826 PolarHBondContact O-N 3.34Å; D826-I829 PolarHBondContact O-N 3.45Å; D826-I830 WeakPolarHBondContact O-CB 3.5Å; D826-I830 VanDerWaalsContact O-CG1 3.22Å; D826-I830 WeakPolarHBondContact O-CG1 3.26Å; D826-I830 PolarHBondContact O-N 3Å |
| 827 | Y | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.8 | -38.6 | -176.8 | -66.4 | -88 | 0 | 0 | 0 | 112.5 | R738 L742 V817 S818 E819 N821 L822 P823 D824 E825 I829 I830 A831 | R738-Y827 HydrophobicContact CB-CD1 4.24Å; R738-Y827 HydrophobicContact CB-CD2 3.69Å; R738-Y827 HydrophobicContact CB-CE1 4.23Å; R738-Y827 HydrophobicContact CB-CE2 3.68Å; R738-Y827 HydrophobicContact CB-CG 3.98Å; R738-Y827 HydrophobicContact CG-CD2 3.59Å; R738-Y827 HydrophobicContact CG-CE2 3.41Å; R738-Y827 VanDerWaalsContact CG-CE2 3.41Å; R738-Y827 HydrophobicContact CG-CG 4.38Å; L742-Y827 HydrophobicContact CB-CD1 4.44Å; V817-Y827 HydrophobicContact CG1-CD1 4.28Å; V817-Y827 HydrophobicContact CG1-CE1 4.13Å; S818-Y827 VanDerWaalsContact O-CE1 3.31Å; S818-Y827 WeakPolarHBondContact O-CE1 3.12Å; S818-Y827 PolarHBondContact O-OH 3.43Å; E819-Y827 VanDerWaalsContact CA-OH 3.23Å; E819-Y827 WeakPolarHBondContact CA-OH 3.48Å; E819-Y827 HydrophobicContact CB-CE1 4.38Å; E819-Y827 HydrophobicContact CG-CE1 4.19Å; E819-Y827 PolarHBondContact O-OH 3.12Å; N821-Y827 PolarHBondContact OD1-OH 3.27Å; L822-Y827 HydrophobicContact CB-CE2 3.86Å; L822-Y827 PolarHBondContact N-OH 3.01Å; P823-Y827 WeakPolarHBondContact O-CD2 3.49Å; P823-Y827 VanDerWaalsContact O-CE2 3.24Å; P823-Y827 WeakPolarHBondContact O-CE2 3.48Å; D824-Y827 WeakPolarHBondContact O-CD2 3.48Å; D824-Y827 PolarHBondContact O-N 2.89Å; E825-Y827 VanDerWaalsContact C-N 3.26Å; E825-Y827 PolarHBondContact O-N 3.44Å; Y827-I829 VanDerWaalsContact C-N 3.31Å; Y827-I830 PolarHBondContact O-N 2.7Å; Y827-A831 WeakPolarHBondContact O-CB 3.47Å; Y827-A831 PolarHBondContact O-N 2.83Å |
| 828 | E | 92.7 | Very high | 92.9 | Very high | 125 Ų | 125 | 36.5 Ų | 36.5 | 58% | 0.584 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -66 | -37.3 | 171.5 | -174.3 | 175.8 | -169.4 | 0 | 0 | 110.9 | R832 | E828-R832 WeakPolarHBondContact O-CB 3.37Å; E828-R832 PolarHBondContact O-N 2.77Å |
| 829 | I | 91.8 | Very high | 92.9 | Very high | 59 Ų | 59 | 39 Ų | 39 | 30% | 0.303 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65 | -48 | 176.1 | -65 | 170 | 0 | 0 | 0 | 110.8 | E825 D826 Y827 A831 R832 Q833 | E825-I829 WeakPolarHBondContact O-CG1 3.41Å; E825-I829 PolarHBondContact O-N 3.25Å; D826-I829 PolarHBondContact O-N 3.45Å; Y827-I829 VanDerWaalsContact C-N 3.31Å; I829-A831 VanDerWaalsContact C-N 3.33Å; I829-A831 PolarHBondContact O-N 3.07Å; I829-R832 PolarHBondContact O-N 3.11Å; I829-Q833 HydrophobicContact CG2-CG 4.25Å; I829-Q833 WeakPolarHBondContact O-CB 3.49Å; I829-Q833 WeakPolarHBondContact O-CG 3.41Å; I829-Q833 PolarHBondContact O-N 3.1Å |
| 830 | I | 93.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 177.6 | -74 | 165.9 | 0 | 0 | 0 | 110.1 | L742 V800 L802 L822 D826 Y827 R832 Q833 I834 | L742-I830 HydrophobicContact CD1-CG2 4.14Å; V800-I830 HydrophobicContact CG1-CG1 4.01Å; V800-I830 HydrophobicContact CG1-CG2 4.42Å; V800-I830 HydrophobicContact CG2-CG1 3.97Å; L802-I830 HydrophobicContact CD1-CG2 4.24Å; L822-I830 HydrophobicContact CD1-CD1 3.36Å; D826-I830 WeakPolarHBondContact O-CB 3.5Å; D826-I830 VanDerWaalsContact O-CG1 3.22Å; D826-I830 WeakPolarHBondContact O-CG1 3.26Å; D826-I830 PolarHBondContact O-N 3Å; Y827-I830 PolarHBondContact O-N 2.7Å; I830-R832 PolarHBondContact O-N 2.91Å; I830-Q833 PolarHBondContact O-N 3.35Å; I830-I834 HydrophobicContact CG2-CD1 3.77Å; I830-I834 HydrophobicContact CG2-CG1 4.42Å; I830-I834 WeakPolarHBondContact O-CG1 3.27Å; I830-I834 PolarHBondContact O-N 2.93Å |
| 831 | A | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.3 | -51.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L742 L746 Y827 I829 Q833 I834 L835 | L742-A831 HydrophobicContact CD1-CB 4.23Å; L742-A831 WeakPolarHBondContact O-CB 3.5Å; L746-A831 HydrophobicContact CD2-CB 4.03Å; L746-A831 HydrophobicContact CG-CB 3.78Å; Y827-A831 WeakPolarHBondContact O-CB 3.47Å; Y827-A831 PolarHBondContact O-N 2.83Å; I829-A831 VanDerWaalsContact C-N 3.33Å; I829-A831 PolarHBondContact O-N 3.07Å; A831-Q833 VanDerWaalsContact C-N 3.32Å; A831-Q833 PolarHBondContact O-N 3.27Å; A831-I834 PolarHBondContact O-N 3.04Å; A831-L835 WeakPolarHBondContact O-CG 3.35Å; A831-L835 PolarHBondContact O-N 3.01Å; A831-L835 VanDerWaalsContact O-N 3.1Å |
| 832 | R | 93.8 | Very high | 93 | Very high | 128 Ų | 128 | 43.1 Ų | 43.1 | 48% | 0.483 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.6 | -42 | 178.1 | 178.7 | 171.1 | 60.3 | 101.2 | -6.4 | 112.1 | E828 I829 I830 L835 E836 | E828-R832 WeakPolarHBondContact O-CB 3.37Å; E828-R832 PolarHBondContact O-N 2.77Å; I829-R832 PolarHBondContact O-N 3.11Å; I830-R832 PolarHBondContact O-N 2.91Å; R832-L835 PolarHBondContact O-N 2.89Å; R832-E836 HydrophobicContact CG-CG 4.31Å; R832-E836 WeakPolarHBondContact CG-OE1 3.49Å; R832-E836 IonicContact CZ-OE1 3.64Å; R832-E836 IonicContact NH1-OE1 2.64Å; R832-E836 PolarHBondContact NH1-OE1 3.13Å; R832-E836 WeakPolarHBondContact O-CB 3.41Å; R832-E836 VanDerWaalsContact O-CG 3.31Å; R832-E836 WeakPolarHBondContact O-CG 3.23Å; R832-E836 PolarHBondContact O-N 3.09Å |
| 833 | Q | 93.5 | Very high | 93.1 | Very high | 26 Ų | 26 | 46.1 Ų | 46.1 | 12% | 0.121 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.2 | -32.1 | -178.2 | -69.8 | 176.8 | -19.9 | 0 | 0 | 113 | L794 N798 I829 I830 A831 L837 | L794-Q833 HydrophobicContact CD1-CB 4.2Å; N798-Q833 HydrophobicContact CB-CB 4.13Å; N798-Q833 HydrophobicContact CB-CG 4.12Å; N798-Q833 VanDerWaalsContact ND2-CG 3.34Å; N798-Q833 WeakPolarHBondContact ND2-CG 3.49Å; I829-Q833 HydrophobicContact CG2-CG 4.25Å; I829-Q833 WeakPolarHBondContact O-CB 3.49Å; I829-Q833 WeakPolarHBondContact O-CG 3.41Å; I829-Q833 PolarHBondContact O-N 3.1Å; I830-Q833 PolarHBondContact O-N 3.35Å; A831-Q833 VanDerWaalsContact C-N 3.32Å; A831-Q833 PolarHBondContact O-N 3.27Å; Q833-L837 WeakPolarHBondContact O-CB 3.43Å; Q833-L837 PolarHBondContact O-N 3.4Å; Q833-L837 VanDerWaalsContact O-N 3.07Å |
| 834 | I | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 168.6 | -71.2 | 167.9 | 0 | 0 | 0 | 109.7 | L746 I763 L768 F790 L794 L802 L815 I830 A831 L837 I838 | L746-I834 HydrophobicContact CD2-CB 4.11Å; L746-I834 HydrophobicContact CD2-CD1 4.37Å; L746-I834 HydrophobicContact CD2-CG2 3.96Å; I763-I834 HydrophobicContact CD1-CD1 3.84Å; L768-I834 HydrophobicContact CD2-CG2 4.02Å; F790-I834 HydrophobicContact CE1-CG2 4.41Å; F790-I834 HydrophobicContact CZ-CG2 4.12Å; L794-I834 HydrophobicContact CD1-CG1 4.46Å; L794-I834 HydrophobicContact CD2-CG1 4.11Å; L802-I834 HydrophobicContact CD1-CD1 4.19Å; L815-I834 HydrophobicContact CD1-CD1 4.06Å; L815-I834 HydrophobicContact CD1-CG1 4.33Å; I830-I834 HydrophobicContact CG2-CD1 3.77Å; I830-I834 HydrophobicContact CG2-CG1 4.42Å; I830-I834 WeakPolarHBondContact O-CG1 3.27Å; I830-I834 PolarHBondContact O-N 2.93Å; A831-I834 PolarHBondContact O-N 3.04Å; I834-L837 PolarHBondContact O-N 3.26Å; I834-I838 HydrophobicContact CG2-CD1 4.02Å; I834-I838 WeakPolarHBondContact O-CG1 3.49Å; I834-I838 PolarHBondContact O-N 2.71Å |
| 835 | L | 94.9 | Very high | 93.2 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 178.9 | -66.9 | 178.8 | 0 | 0 | 0 | 113 | G745 L746 L768 I772 A831 R832 L837 I838 D839 | G745-L835 VanDerWaalsContact O-CD1 3.26Å; G745-L835 WeakPolarHBondContact O-CD1 3.48Å; L746-L835 HydrophobicContact CD2-CG 4.35Å; L768-L835 HydrophobicContact CD1-CD2 4.36Å; L768-L835 HydrophobicContact CD2-CD2 4.05Å; L768-L835 HydrophobicContact CG-CD2 4.35Å; I772-L835 HydrophobicContact CD1-CD2 3.54Å; A831-L835 WeakPolarHBondContact O-CG 3.35Å; A831-L835 PolarHBondContact O-N 3.01Å; A831-L835 VanDerWaalsContact O-N 3.1Å; R832-L835 PolarHBondContact O-N 2.89Å; L835-L837 VanDerWaalsContact C-N 3.29Å; L835-L837 PolarHBondContact O-N 2.93Å; L835-I838 PolarHBondContact O-N 2.95Å; L835-D839 PolarHBondContact O-N 3.48Å |
| 836 | E | 94.2 | Very high | 93.3 | Very high | 69 Ų | 69 | 46 Ų | 46 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.7 | -43.5 | 174.7 | -75.7 | 170.8 | -173.6 | 0 | 0 | 110.9 | R832 D839 E840 | R832-E836 HydrophobicContact CG-CG 4.31Å; R832-E836 WeakPolarHBondContact CG-OE1 3.49Å; R832-E836 IonicContact CZ-OE1 3.64Å; R832-E836 IonicContact NH1-OE1 2.64Å; R832-E836 PolarHBondContact NH1-OE1 3.13Å; R832-E836 WeakPolarHBondContact O-CB 3.41Å; R832-E836 VanDerWaalsContact O-CG 3.31Å; R832-E836 WeakPolarHBondContact O-CG 3.23Å; R832-E836 PolarHBondContact O-N 3.09Å; E836-D839 PolarHBondContact O-N 3.46Å; E836-E840 PolarHBondContact O-N 2.97Å; E836-E840 VanDerWaalsContact O-N 3.15Å |
| 837 | L | 93 | Very high | 93.2 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.4 | -38.6 | 178.3 | -176.2 | 59.3 | 0 | 0 | 0 | 112.7 | F790 N793 L794 Q833 I834 L835 D839 E840 Y841 | F790-L837 HydrophobicContact CD1-CD2 4.2Å; F790-L837 HydrophobicContact CD2-CD2 4.16Å; F790-L837 HydrophobicContact CD2-CG 4.47Å; F790-L837 HydrophobicContact CE1-CD2 3.97Å; F790-L837 HydrophobicContact CE2-CB 4.43Å; F790-L837 HydrophobicContact CE2-CD2 3.92Å; F790-L837 HydrophobicContact CE2-CG 3.97Å; F790-L837 HydrophobicContact CG-CD2 4.27Å; F790-L837 HydrophobicContact CZ-CB 4.24Å; F790-L837 HydrophobicContact CZ-CD2 3.82Å; F790-L837 HydrophobicContact CZ-CG 4.12Å; F790-L837 WeakPolarHBondContact O-CD2 3.37Å; N793-L837 HydrophobicContact CB-CD1 4.1Å; N793-L837 HydrophobicContact CB-CD2 4.13Å; L794-L837 HydrophobicContact CB-CD2 3.82Å; L794-L837 HydrophobicContact CD1-CD2 4.24Å; Q833-L837 WeakPolarHBondContact O-CB 3.43Å; Q833-L837 PolarHBondContact O-N 3.4Å; Q833-L837 VanDerWaalsContact O-N 3.07Å; I834-L837 PolarHBondContact O-N 3.26Å; L835-L837 VanDerWaalsContact C-N 3.29Å; L835-L837 PolarHBondContact O-N 2.93Å; L837-D839 VanDerWaalsContact C-N 3.34Å; L837-E840 PolarHBondContact O-N 2.74Å; L837-Y841 HydrophobicContact CD1-CD2 4.34Å; L837-Y841 HydrophobicContact CD1-CE2 3.86Å; L837-Y841 HydrophobicContact CD2-CE2 4.18Å; L837-Y841 HydrophobicContact CG-CD2 4.12Å; L837-Y841 HydrophobicContact CG-CE2 3.68Å; L837-Y841 WeakPolarHBondContact O-CD2 3.5Å; L837-Y841 PolarHBondContact O-N 2.78Å; L837-Y841 VanDerWaalsContact O-N 3.17Å |
| 838 | I | 93.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 173.6 | -68 | 173.3 | 0 | 0 | 0 | 110.6 | L768 A769 Y773 F777 F790 I834 L835 E840 Y841 H842 | L768-I838 HydrophobicContact CB-CD1 4.24Å; L768-I838 HydrophobicContact CD2-CD1 3.56Å; L768-I838 HydrophobicContact CG-CD1 3.81Å; A769-I838 HydrophobicContact CB-CG2 4.32Å; Y773-I838 HydrophobicContact CD2-CG2 4.28Å; Y773-I838 HydrophobicContact CE2-CG2 4.02Å; F777-I838 HydrophobicContact CE1-CG2 3.89Å; F777-I838 HydrophobicContact CZ-CG2 4.43Å; F790-I838 HydrophobicContact CE2-CG1 3.69Å; F790-I838 HydrophobicContact CZ-CD1 4.47Å; F790-I838 HydrophobicContact CZ-CG1 3.88Å; I834-I838 HydrophobicContact CG2-CD1 4.02Å; I834-I838 WeakPolarHBondContact O-CG1 3.49Å; I834-I838 PolarHBondContact O-N 2.71Å; L835-I838 PolarHBondContact O-N 2.95Å; I838-E840 VanDerWaalsContact C-N 3.31Å; I838-E840 PolarHBondContact O-N 2.96Å; I838-Y841 PolarHBondContact O-N 3.42Å; I838-H842 PolarHBondContact O-N 2.77Å |
| 839 | D | 94.5 | Very high | 92.3 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 177 | -175.8 | 58.5 | 0 | 0 | 0 | 111.7 | Y773 L835 E836 L837 H842 Q843 | Y773-D839 WeakPolarHBondContact OH-CB 3.5Å; Y773-D839 PolarHBondContact OH-OD1 3.12Å; L835-D839 PolarHBondContact O-N 3.48Å; E836-D839 PolarHBondContact O-N 3.46Å; L837-D839 VanDerWaalsContact C-N 3.34Å; D839-H842 CarbonylContact O-C 2.95Å; D839-H842 WeakPolarHBondContact O-CA 3.32Å; D839-H842 WeakPolarHBondContact O-CB 2.97Å; D839-H842 PolarHBondContact O-N 2.8Å; D839-H842 VanDerWaalsContact O-N 3.11Å; D839-Q843 WeakPolarHBondContact O-CG 3.28Å; D839-Q843 PolarHBondContact O-N 3.26Å; D839-Q843 PolarHBondContact OD1-NE2 3.21Å |
| 840 | E | 92.8 | Very high | 92.3 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 33% | 0.327 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 176.3 | -76.1 | 168.3 | -134 | 0 | 0 | 113.9 | K797 E836 L837 I838 H842 Q843 S844 | K797-E840 IonicContact NZ-OE1 3.81Å; K797-E840 PolarHBondContact NZ-OE1 3.19Å; K797-E840 IonicContact NZ-OE2 2.59Å; K797-E840 PolarHBondContact NZ-OE2 3.12Å; E836-E840 PolarHBondContact O-N 2.97Å; E836-E840 VanDerWaalsContact O-N 3.15Å; L837-E840 PolarHBondContact O-N 2.74Å; I838-E840 VanDerWaalsContact C-N 3.31Å; I838-E840 PolarHBondContact O-N 2.96Å; E840-H842 PolarHBondContact O-N 3.05Å; E840-Q843 PolarHBondContact O-N 3.26Å; E840-S844 PolarHBondContact O-N 3.48Å; E840-S844 PolarHBondContact O-OG 3.45Å |
| 841 | Y | 93.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 59.1 Ų | 59.1 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 171.4 | -74.3 | -59.2 | 0 | 0 | 0 | 110.9 | L781 F785 F790 N793 L837 I838 S844 F845 | L781-Y841 HydrophobicContact CD1-CD1 4.17Å; L781-Y841 HydrophobicContact CD1-CD2 3.99Å; L781-Y841 HydrophobicContact CD1-CG 3.75Å; F785-Y841 HydrophobicContact CD1-CD1 4.19Å; F785-Y841 AromaticContact CD1-CE1 3.54Å; F785-Y841 HydrophobicContact CD1-CE1 3.54Å; F785-Y841 HydrophobicContact CD2-CD1 4.03Å; F785-Y841 HydrophobicContact CD2-CE1 4.11Å; F785-Y841 AromaticContact CE1-CD1 3.74Å; F785-Y841 HydrophobicContact CE1-CD1 3.74Å; F785-Y841 AromaticContact CE1-CE1 3.34Å; F785-Y841 HydrophobicContact CE1-CE1 3.34Å; F785-Y841 AromaticContact CE2-CD1 3.53Å; F785-Y841 HydrophobicContact CE2-CD1 3.53Å; F785-Y841 AromaticContact CE2-CE1 3.91Å; F785-Y841 HydrophobicContact CE2-CE1 3.91Å; F785-Y841 HydrophobicContact CE2-CG 4.48Å; F785-Y841 HydrophobicContact CG-CD1 4.32Å; F785-Y841 AromaticContact CG-CE1 3.93Å; F785-Y841 HydrophobicContact CG-CE1 3.93Å; F785-Y841 AromaticContact CZ-CD1 3.37Å; F785-Y841 HydrophobicContact CZ-CD1 3.37Å; F785-Y841 AromaticContact CZ-CE1 3.53Å; F785-Y841 HydrophobicContact CZ-CE1 3.53Å; F790-Y841 HydrophobicContact CD2-CD2 4.06Å; F790-Y841 AromaticContact CD2-CE2 3.46Å; F790-Y841 HydrophobicContact CD2-CE2 3.46Å; F790-Y841 VanDerWaalsContact CD2-CE2 3.46Å; F790-Y841 HydrophobicContact CE2-CD2 4.08Å; F790-Y841 AromaticContact CE2-CE2 3.82Å; F790-Y841 HydrophobicContact CE2-CE2 3.82Å; F790-Y841 HydrophobicContact CG-CE2 4.41Å; N793-Y841 PolarHBondContact ND2-OH 3.32Å; L837-Y841 HydrophobicContact CD1-CD2 4.34Å; L837-Y841 HydrophobicContact CD1-CE2 3.86Å; L837-Y841 HydrophobicContact CD2-CE2 4.18Å; L837-Y841 HydrophobicContact CG-CD2 4.12Å; L837-Y841 HydrophobicContact CG-CE2 3.68Å; L837-Y841 WeakPolarHBondContact O-CD2 3.5Å; L837-Y841 PolarHBondContact O-N 2.78Å; L837-Y841 VanDerWaalsContact O-N 3.17Å; I838-Y841 PolarHBondContact O-N 3.42Å; Y841-S844 WeakPolarHBondContact O-CB 3.33Å; Y841-S844 PolarHBondContact O-N 2.95Å; Y841-F845 PolarHBondContact O-N 2.82Å |
| 842 | H | 94.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 62.5 Ų | 62.5 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 175.5 | -179.4 | -105.4 | 0 | 0 | 0 | 112.8 | Y773 F777 I838 D839 E840 S844 F845 L846 | Y773-H842 HydrophobicContact CD1-CB 4.45Å; Y773-H842 AromaticContact CD1-CD2 3.58Å; Y773-H842 AromaticContact CD1-CE1 3.31Å; Y773-H842 WeakPolarHBondContact CD1-CE1 3.49Å; Y773-H842 AromaticContact CD1-CG 3.59Å; Y773-H842 AromaticContact CD1-ND1 3.43Å; Y773-H842 WeakPolarHBondContact CD1-ND1 3.11Å; Y773-H842 AromaticContact CD1-NE2 3.43Å; Y773-H842 WeakPolarHBondContact CD1-NE2 3.4Å; Y773-H842 HydrophobicContact CD2-CB 3.87Å; Y773-H842 AromaticContact CD2-CD2 3.96Å; Y773-H842 AromaticContact CD2-CG 3.8Å; Y773-H842 HydrophobicContact CE1-CB 4.36Å; Y773-H842 AromaticContact CE1-CE1 3.56Å; Y773-H842 AromaticContact CE1-CG 3.72Å; Y773-H842 AromaticContact CE1-ND1 3.3Å; Y773-H842 VanDerWaalsContact CE1-ND1 3.3Å; Y773-H842 WeakPolarHBondContact CE1-ND1 3.45Å; Y773-H842 HydrophobicContact CE2-CB 3.78Å; Y773-H842 AromaticContact CE2-CG 3.95Å; Y773-H842 HydrophobicContact CG-CB 4.22Å; Y773-H842 AromaticContact CG-CD2 3.44Å; Y773-H842 VanDerWaalsContact CG-CD2 3.44Å; Y773-H842 AromaticContact CG-CG 3.62Å; Y773-H842 AromaticContact CG-ND1 3.99Å; Y773-H842 AromaticContact CG-NE2 3.72Å; Y773-H842 AromaticContact CZ-CG 3.91Å; Y773-H842 AromaticContact CZ-ND1 3.78Å; F777-H842 HydrophobicContact CD2-CB 4.25Å; F777-H842 AromaticContact CD2-CD2 3.86Å; F777-H842 HydrophobicContact CE1-CB 4.06Å; F777-H842 HydrophobicContact CE2-CB 3.78Å; F777-H842 AromaticContact CG-CD2 3.86Å; F777-H842 HydrophobicContact CZ-CB 3.65Å; I838-H842 PolarHBondContact O-N 2.77Å; D839-H842 CarbonylContact O-C 2.95Å; D839-H842 WeakPolarHBondContact O-CA 3.32Å; D839-H842 WeakPolarHBondContact O-CB 2.97Å; D839-H842 PolarHBondContact O-N 2.8Å; D839-H842 VanDerWaalsContact O-N 3.11Å; E840-H842 PolarHBondContact O-N 3.05Å; H842-S844 PolarHBondContact O-N 3.21Å; H842-F845 AromaticContact CD2-CD1 3.95Å; H842-F845 WeakPolarHBondContact O-CB 3.45Å; H842-F845 PolarHBondContact O-N 3.34Å; H842-F845 VanDerWaalsContact O-N 3.13Å; H842-L846 PolarHBondContact O-N 2.8Å |
| 843 | Q | 93.9 | Very high | 92 | Very high | 84 Ų | 84 | 58.4 Ų | 58.4 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -35.8 | 172.4 | -64 | -50.6 | -41.5 | 0 | 0 | 111.8 | D839 E840 Q847 | D839-Q843 WeakPolarHBondContact O-CG 3.28Å; D839-Q843 PolarHBondContact O-N 3.26Å; D839-Q843 PolarHBondContact OD1-NE2 3.21Å; E840-Q843 PolarHBondContact O-N 3.26Å; Q843-Q847 VanDerWaalsContact O-CG 3.32Å; Q843-Q847 WeakPolarHBondContact O-CG 3.43Å; Q843-Q847 PolarHBondContact O-N 2.67Å |
| 844 | S | 90.6 | Very high | 91.9 | Very high | 49 Ų | 49 | 60.6 Ų | 60.6 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 174.5 | -55.3 | 0 | 0 | 0 | 0 | 112 | E840 Y841 H842 Q847 | E840-S844 PolarHBondContact O-N 3.48Å; E840-S844 PolarHBondContact O-OG 3.45Å; Y841-S844 WeakPolarHBondContact O-CB 3.33Å; Y841-S844 PolarHBondContact O-N 2.95Å; H842-S844 PolarHBondContact O-N 3.21Å; S844-Q847 PolarHBondContact O-N 2.82Å |
| 845 | F | 92.7 | Very high | 91.8 | Very high | 50 Ų | 50 | 64.9 Ų | 64.9 | 22% | 0.219 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 173 | 171.5 | -119.3 | 0 | 0 | 0 | 112.3 | E776 F777 Y780 Y841 H842 Q847 Q848 | E776-F845 HydrophobicContact CB-CZ 4.25Å; F777-F845 HydrophobicContact CB-CD1 4.22Å; F777-F845 HydrophobicContact CB-CE1 4.2Å; F777-F845 HydrophobicContact CD2-CB 3.8Å; F777-F845 AromaticContact CD2-CD1 3.82Å; F777-F845 HydrophobicContact CD2-CD1 3.82Å; F777-F845 AromaticContact CD2-CG 3.85Å; F777-F845 HydrophobicContact CD2-CG 3.85Å; F777-F845 HydrophobicContact CE2-CB 4.02Å; F777-F845 HydrophobicContact CG-CD1 4.43Å; Y780-F845 HydrophobicContact CD1-CB 3.66Å; Y780-F845 AromaticContact CD1-CD2 3.79Å; Y780-F845 HydrophobicContact CD1-CD2 3.79Å; Y780-F845 AromaticContact CD1-CG 3.99Å; Y780-F845 HydrophobicContact CD1-CG 3.99Å; Y780-F845 HydrophobicContact CD2-CB 4.48Å; Y780-F845 AromaticContact CD2-CD2 3.49Å; Y780-F845 HydrophobicContact CD2-CD2 3.49Å; Y780-F845 VanDerWaalsContact CD2-CD2 3.49Å; Y780-F845 HydrophobicContact CD2-CE2 4.19Å; Y780-F845 HydrophobicContact CD2-CG 4.41Å; Y780-F845 HydrophobicContact CE1-CB 3.58Å; Y780-F845 HydrophobicContact CE1-CD2 4.33Å; Y780-F845 HydrophobicContact CE1-CG 4.37Å; Y780-F845 HydrophobicContact CE2-CB 4.39Å; Y780-F845 HydrophobicContact CE2-CD2 4.03Å; Y780-F845 HydrophobicContact CG-CB 4.12Å; Y780-F845 AromaticContact CG-CD2 3.33Å; Y780-F845 HydrophobicContact CG-CD2 3.33Å; Y780-F845 HydrophobicContact CG-CE2 4.02Å; Y780-F845 HydrophobicContact CG-CG 4.02Å; Y841-F845 PolarHBondContact O-N 2.82Å; H842-F845 AromaticContact CD2-CD1 3.95Å; H842-F845 WeakPolarHBondContact O-CB 3.45Å; H842-F845 PolarHBondContact O-N 3.34Å; H842-F845 VanDerWaalsContact O-N 3.13Å; F845-Q847 PolarHBondContact O-N 3.16Å; F845-Q848 PolarHBondContact O-N 2.91Å |
| 846 | L | 92.1 | Very high | 91.5 | Very high | 104 Ų | 104 | 66.4 Ų | 66.4 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.4 | -18 | 179.1 | -68.4 | 179.3 | 0 | 0 | 0 | 114.2 | H842 | H842-L846 PolarHBondContact O-N 2.8Å |
| 847 | Q | 88.4 | Confident | 91.3 | Very high | 162 Ų | 162 | 66.2 Ų | 66.2 | 76% | 0.757 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.8 | 178.2 | -73.1 | 173.4 | 23.3 | 0 | 0 | 113.4 | Q843 S844 F845 | Q843-Q847 VanDerWaalsContact O-CG 3.32Å; Q843-Q847 WeakPolarHBondContact O-CG 3.43Å; Q843-Q847 PolarHBondContact O-N 2.67Å; S844-Q847 PolarHBondContact O-N 2.82Å; F845-Q847 PolarHBondContact O-N 3.16Å |
| 848 | Q | 76.1 | Confident | 91.2 | Very high | 171 Ų | 171 | 71.5 Ų | 71.5 | 80% | 0.799 | 35% | 0.352 | S | S | * | . | trans | -91 | 0 | 175.4 | -62.4 | -172.2 | 17.2 | 0 | 0 | 110.7 | Y780 F845 | Y780-Q848 PolarHBondContact OH-NE2 2.72Å; Y780-Q848 VanDerWaalsContact OH-NE2 3.13Å; F845-Q848 PolarHBondContact O-N 2.91Å |
Retrieved 848 of 848 residues in 555.6 ms
(Link to these results)