| 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 | 52.2 | Low | 79.9 | Confident | 196 Ų | 196 | 74.3 Ų | 74.3 | 97% | 0.966 | 42% | 0.421 | S | S | * | . | 0 | 128.1 | 0 | -81.3 | 171.1 | 112.3 | 0 | 0 | 107.7 | D5 | M1-D5 HydrophobicContact CB-CB 4.3Å; M1-D5 HydrophobicContact CE-CB 4.44Å; M1-D5 HydrophobicContact CG-CB 4.42Å | |||
| 2 | S | 71.3 | Confident | 80.7 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | trans | -66.6 | 156.5 | 169.2 | 71 | 0 | 0 | 0 | 0 | 109.2 | L4 D5 S6 | S2-L4 PolarHBondContact O-N 3.15Å; S2-L4 VanDerWaalsContact O-N 3.15Å; S2-D5 WeakPolarHBondContact CB-OD2 3.38Å; S2-D5 PolarHBondContact N-OD2 3.04Å; S2-D5 PolarHBondContact O-N 2.89Å; S2-D5 PolarHBondContact OG-N 3.1Å; S2-D5 PolarHBondContact OG-OD1 3Å; S2-D5 PolarHBondContact OG-OD2 2.91Å; S2-S6 PolarHBondContact O-N 2.94Å | ||
| 3 | T | 76 | Confident | 81.5 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 69% | 0.693 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -55.1 | -30 | 174.2 | 44.3 | 0 | 0 | 0 | 0 | 112.4 | S6 I7 | T3-S6 PolarHBondContact O-OG 3.03Å; T3-I7 WeakPolarHBondContact O-CG1 3.37Å; T3-I7 PolarHBondContact O-N 3.04Å |
| 4 | L | 75.4 | Confident | 82.3 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 41% | 0.414 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 175 | -70 | 170.3 | 0 | 0 | 0 | 112.3 | S2 S6 I7 D8 | S2-L4 PolarHBondContact O-N 3.15Å; S2-L4 VanDerWaalsContact O-N 3.15Å; L4-S6 VanDerWaalsContact C-N 3.28Å; L4-S6 PolarHBondContact O-N 3.37Å; L4-I7 PolarHBondContact O-N 3.02Å; L4-I7 VanDerWaalsContact O-N 3.15Å; L4-D8 PolarHBondContact O-N 3.05Å |
| 5 | D | 78 | Confident | 83 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -35.7 | 178.1 | -55.7 | -43.4 | 0 | 0 | 0 | 111.5 | M1 S2 A9 | M1-D5 HydrophobicContact CB-CB 4.3Å; M1-D5 HydrophobicContact CE-CB 4.44Å; M1-D5 HydrophobicContact CG-CB 4.42Å; S2-D5 WeakPolarHBondContact CB-OD2 3.38Å; S2-D5 PolarHBondContact N-OD2 3.04Å; S2-D5 PolarHBondContact O-N 2.89Å; S2-D5 PolarHBondContact OG-N 3.1Å; S2-D5 PolarHBondContact OG-OD1 3Å; S2-D5 PolarHBondContact OG-OD2 2.91Å; D5-A9 WeakPolarHBondContact O-CB 3.5Å; D5-A9 PolarHBondContact O-N 3.42Å |
| 6 | S | 83.5 | Confident | 83.5 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 174.8 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | S2 T3 L4 I10 | S2-S6 PolarHBondContact O-N 2.94Å; T3-S6 PolarHBondContact O-OG 3.03Å; L4-S6 VanDerWaalsContact C-N 3.28Å; L4-S6 PolarHBondContact O-N 3.37Å; S6-I10 WeakPolarHBondContact O-CG1 3.37Å; S6-I10 PolarHBondContact O-N 3.19Å |
| 7 | I | 87 | Confident | 84.1 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 47% | 0.467 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.1 | -43.9 | 177.2 | -68.9 | 167 | 0 | 0 | 0 | 110 | T3 L4 A9 I10 L11 | T3-I7 WeakPolarHBondContact O-CG1 3.37Å; T3-I7 PolarHBondContact O-N 3.04Å; L4-I7 PolarHBondContact O-N 3.02Å; L4-I7 VanDerWaalsContact O-N 3.15Å; I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 2.87Å; I7-I10 PolarHBondContact O-N 3.3Å; I7-L11 VanDerWaalsContact O-CB 3.32Å; I7-L11 WeakPolarHBondContact O-CB 3.32Å; I7-L11 PolarHBondContact O-N 2.68Å |
| 8 | D | 87.1 | Confident | 84.7 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.011 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 179.1 | -70.6 | -11.9 | 0 | 0 | 0 | 110.9 | L4 I10 L11 F12 R363 | L4-D8 PolarHBondContact O-N 3.05Å; D8-I10 PolarHBondContact O-N 3.23Å; D8-L11 PolarHBondContact O-N 3.1Å; D8-F12 HydrophobicContact CB-CE2 4.02Å; D8-F12 HydrophobicContact CB-CZ 4.16Å; D8-F12 WeakPolarHBondContact O-CB 3.4Å; D8-F12 VanDerWaalsContact O-CD2 3.24Å; D8-F12 WeakPolarHBondContact O-CD2 3.37Å; D8-F12 WeakPolarHBondContact O-CG 3.43Å; D8-F12 PolarHBondContact O-N 3.23Å; D8-R363 WeakPolarHBondContact OD1-CD 3.39Å; D8-R363 IonicContact OD1-CZ 3.62Å; D8-R363 IonicContact OD1-NE 2.99Å; D8-R363 PolarHBondContact OD1-NE 2.94Å; D8-R363 IonicContact OD1-NH2 2.71Å; D8-R363 IonicContact OD2-NE 3.49Å |
| 9 | A | 86.9 | Confident | 85.2 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 37% | 0.372 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -43 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D5 I7 S13 | D5-A9 WeakPolarHBondContact O-CB 3.5Å; D5-A9 PolarHBondContact O-N 3.42Å; I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 2.87Å; A9-S13 VanDerWaalsContact O-CB 3.26Å; A9-S13 WeakPolarHBondContact O-CB 3.38Å; A9-S13 PolarHBondContact O-N 3.03Å |
| 10 | I | 90.5 | Very high | 85.6 | Confident | 109 Ų | 109 | 61.5 Ų | 61.5 | 56% | 0.559 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.9 | -45.6 | 175 | -67.8 | 167.1 | 0 | 0 | 0 | 110.2 | S6 I7 D8 S13 L14 | S6-I10 WeakPolarHBondContact O-CG1 3.37Å; S6-I10 PolarHBondContact O-N 3.19Å; I7-I10 PolarHBondContact O-N 3.3Å; D8-I10 PolarHBondContact O-N 3.23Å; I10-S13 WeakPolarHBondContact O-CB 3.24Å; I10-S13 PolarHBondContact O-N 3Å; I10-L14 HydrophobicContact CG2-CD1 3.98Å; I10-L14 HydrophobicContact CG2-CG 4.36Å; I10-L14 WeakPolarHBondContact O-CG 3.47Å; I10-L14 PolarHBondContact O-N 2.96Å |
| 11 | L | 90.7 | Very high | 86 | Confident | 17 Ų | 17 | 64.1 Ų | 64.1 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.4 | -48.1 | -180 | 176.1 | 67.4 | 0 | 0 | 0 | 111.7 | I7 D8 L14 S15 I356 T359 S360 R363 | I7-L11 VanDerWaalsContact O-CB 3.32Å; I7-L11 WeakPolarHBondContact O-CB 3.32Å; I7-L11 PolarHBondContact O-N 2.68Å; D8-L11 PolarHBondContact O-N 3.1Å; L11-L14 PolarHBondContact O-N 3.32Å; L11-S15 PolarHBondContact O-N 2.94Å; L11-I356 HydrophobicContact CD1-CD1 4.03Å; L11-I356 HydrophobicContact CD1-CG2 4.07Å; L11-T359 HydrophobicContact CD1-CG2 4.22Å; L11-T359 HydrophobicContact CD2-CG2 3.77Å; L11-S360 WeakPolarHBondContact CG-OG 3.48Å; L11-R363 HydrophobicContact CD2-CB 4.35Å; L11-R363 HydrophobicContact CD2-CG 3.79Å |
| 12 | F | 90.3 | Very high | 88.1 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 5% | 0.053 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 177.4 | -58.6 | -27 | 0 | 0 | 0 | 111.5 | D8 L14 S15 R16 R363 I364 Y369 | D8-F12 HydrophobicContact CB-CE2 4.02Å; D8-F12 HydrophobicContact CB-CZ 4.16Å; D8-F12 WeakPolarHBondContact O-CB 3.4Å; D8-F12 VanDerWaalsContact O-CD2 3.24Å; D8-F12 WeakPolarHBondContact O-CD2 3.37Å; D8-F12 WeakPolarHBondContact O-CG 3.43Å; D8-F12 PolarHBondContact O-N 3.23Å; F12-L14 VanDerWaalsContact C-N 3.35Å; F12-L14 PolarHBondContact O-N 2.92Å; F12-S15 PolarHBondContact O-N 3.09Å; F12-R16 WeakPolarHBondContact O-CG 3.43Å; F12-R16 PolarHBondContact O-N 3.35Å; F12-R363 HydrophobicContact CE1-CB 3.91Å; F12-R363 HydrophobicContact CZ-CB 4Å; F12-I364 HydrophobicContact CD1-CD1 4.4Å; F12-I364 HydrophobicContact CD1-CG1 4.4Å; F12-I364 HydrophobicContact CE1-CD1 4.11Å; F12-I364 HydrophobicContact CE1-CG1 3.67Å; F12-I364 HydrophobicContact CZ-CG1 3.77Å; F12-Y369 AromaticContact CE2-CD2 3.81Å; F12-Y369 HydrophobicContact CE2-CD2 3.81Å; F12-Y369 AromaticContact CE2-CE2 3.96Å; F12-Y369 HydrophobicContact CE2-CE2 3.96Å; F12-Y369 HydrophobicContact CE2-CG 4.21Å; F12-Y369 AromaticContact CZ-CD2 3.69Å; F12-Y369 HydrophobicContact CZ-CD2 3.69Å; F12-Y369 AromaticContact CZ-CE2 3.94Å; F12-Y369 HydrophobicContact CZ-CE2 3.94Å; F12-Y369 HydrophobicContact CZ-CG 4.44Å |
| 13 | S | 91.1 | Very high | 89.3 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 42% | 0.42 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 173.2 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | A9 I10 R16 A17 | A9-S13 VanDerWaalsContact O-CB 3.26Å; A9-S13 WeakPolarHBondContact O-CB 3.38Å; A9-S13 PolarHBondContact O-N 3.03Å; I10-S13 WeakPolarHBondContact O-CB 3.24Å; I10-S13 PolarHBondContact O-N 3Å; S13-R16 PolarHBondContact O-N 3.29Å; S13-A17 WeakPolarHBondContact O-CB 3.36Å; S13-A17 PolarHBondContact O-N 3.09Å |
| 14 | L | 92.5 | Very high | 90.2 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 175.7 | -73 | 172.9 | 0 | 0 | 0 | 112.1 | I10 L11 F12 R16 A17 F18 I356 | I10-L14 HydrophobicContact CG2-CD1 3.98Å; I10-L14 HydrophobicContact CG2-CG 4.36Å; I10-L14 WeakPolarHBondContact O-CG 3.47Å; I10-L14 PolarHBondContact O-N 2.96Å; L11-L14 PolarHBondContact O-N 3.32Å; F12-L14 VanDerWaalsContact C-N 3.35Å; F12-L14 PolarHBondContact O-N 2.92Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 2.92Å; L14-A17 WeakPolarHBondContact O-CB 3.42Å; L14-A17 PolarHBondContact O-N 3.38Å; L14-A17 VanDerWaalsContact O-N 3.17Å; L14-F18 WeakPolarHBondContact O-CG 3.25Å; L14-F18 PolarHBondContact O-N 3.23Å; L14-I356 HydrophobicContact CB-CG2 4.02Å |
| 15 | S | 92.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.028 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 176.5 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | L11 F12 F18 T19 H357 S360 | L11-S15 PolarHBondContact O-N 2.94Å; F12-S15 PolarHBondContact O-N 3.09Å; S15-F18 PolarHBondContact O-N 3.1Å; S15-T19 PolarHBondContact O-N 2.85Å; S15-T19 VanDerWaalsContact O-N 3.16Å; S15-H357 PolarHBondContact O-CE1 2.86Å; S15-H357 PolarHBondContact OG-ND1 3.47Å; S15-S360 VanDerWaalsContact CB-OG 3.25Å; S15-S360 WeakPolarHBondContact CB-OG 3.44Å |
| 16 | R | 91.7 | Very high | 92.1 | Very high | 84 Ų | 84 | 56 Ų | 56 | 32% | 0.317 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 172.9 | -69.3 | -168.7 | -59.5 | -95.4 | -0 | 111.5 | F12 S13 L14 F18 T19 S20 D374 | F12-R16 WeakPolarHBondContact O-CG 3.43Å; F12-R16 PolarHBondContact O-N 3.35Å; S13-R16 PolarHBondContact O-N 3.29Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 2.92Å; R16-F18 VanDerWaalsContact C-N 3.25Å; R16-F18 PolarHBondContact O-N 3.29Å; R16-T19 PolarHBondContact O-N 2.88Å; R16-T19 PolarHBondContact O-OG1 2.98Å; R16-S20 PolarHBondContact O-N 2.9Å; R16-D374 IonicContact CZ-OD1 3.88Å; R16-D374 IonicContact NH1-OD1 2.67Å; R16-D374 PolarHBondContact NH1-OD1 3.34Å |
| 17 | A | 93.4 | Very high | 92.8 | Very high | 50 Ų | 50 | 53.8 Ų | 53.8 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.8 | -36.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S13 L14 T19 S20 | S13-A17 WeakPolarHBondContact O-CB 3.36Å; S13-A17 PolarHBondContact O-N 3.09Å; L14-A17 WeakPolarHBondContact O-CB 3.42Å; L14-A17 PolarHBondContact O-N 3.38Å; L14-A17 VanDerWaalsContact O-N 3.17Å; A17-T19 PolarHBondContact O-N 3.17Å; A17-S20 WeakPolarHBondContact O-CB 3.39Å; A17-S20 PolarHBondContact O-N 3.11Å; A17-S20 VanDerWaalsContact O-N 3.07Å; A17-S20 PolarHBondContact O-OG 3.49Å |
| 18 | F | 94.9 | Very high | 93.3 | Very high | 44 Ų | 44 | 53.9 Ų | 53.9 | 19% | 0.193 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -75 | -10.6 | 175.9 | -66.3 | -16.4 | 0 | 0 | 0 | 114.5 | L14 S15 R16 A23 Q27 M353 I356 | L14-F18 WeakPolarHBondContact O-CG 3.25Å; L14-F18 PolarHBondContact O-N 3.23Å; S15-F18 PolarHBondContact O-N 3.1Å; R16-F18 VanDerWaalsContact C-N 3.25Å; R16-F18 PolarHBondContact O-N 3.29Å; F18-A23 HydrophobicContact CB-CB 4.47Å; F18-A23 HydrophobicContact CD1-CB 4.46Å; F18-A23 VanDerWaalsContact O-CB 3.27Å; F18-A23 WeakPolarHBondContact O-CB 3.32Å; F18-Q27 PolarHBondContact O-NE2 3.44Å; F18-M353 HydrophobicContact CB-CG 4.46Å; F18-M353 HydrophobicContact CD1-CE 4.35Å; F18-M353 HydrophobicContact CD1-CG 4.11Å; F18-M353 HydrophobicContact CD1-SD 4.34Å; F18-M353 HydrophobicContact CD2-CB 3.82Å; F18-M353 HydrophobicContact CD2-CG 3.74Å; F18-M353 HydrophobicContact CE1-CE 4.4Å; F18-M353 HydrophobicContact CE1-CG 4.25Å; F18-M353 HydrophobicContact CE2-CB 4.2Å; F18-M353 HydrophobicContact CE2-CG 3.86Å; F18-M353 HydrophobicContact CG-CB 4.22Å; F18-M353 HydrophobicContact CG-CG 3.87Å; F18-M353 HydrophobicContact CG-SD 4.35Å; F18-M353 HydrophobicContact CZ-CG 4.13Å; F18-I356 HydrophobicContact CD2-CB 3.99Å; F18-I356 HydrophobicContact CD2-CG1 4.43Å; F18-I356 HydrophobicContact CD2-CG2 3.88Å; F18-I356 HydrophobicContact CE2-CB 3.89Å; F18-I356 HydrophobicContact CE2-CG1 3.82Å; F18-I356 HydrophobicContact CE2-CG2 4Å |
| 19 | T | 93.2 | Very high | 93.8 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 2.6 | 165.8 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | S15 R16 A17 | S15-T19 PolarHBondContact O-N 2.85Å; S15-T19 VanDerWaalsContact O-N 3.16Å; R16-T19 PolarHBondContact O-N 2.88Å; R16-T19 PolarHBondContact O-OG1 2.98Å; A17-T19 PolarHBondContact O-N 3.17Å |
| 20 | S | 93.8 | Very high | 94.3 | Very high | 45 Ų | 45 | 54 Ų | 54 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -65.2 | 155 | 173.7 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | R16 A17 F22 A23 V24 | R16-S20 PolarHBondContact O-N 2.9Å; A17-S20 WeakPolarHBondContact O-CB 3.39Å; A17-S20 PolarHBondContact O-N 3.11Å; A17-S20 VanDerWaalsContact O-N 3.07Å; A17-S20 PolarHBondContact O-OG 3.49Å; S20-F22 VanDerWaalsContact C-N 3.25Å; S20-F22 PolarHBondContact O-N 3.24Å; S20-F22 VanDerWaalsContact O-N 3.16Å; S20-A23 PolarHBondContact O-N 3.28Å; S20-A23 PolarHBondContact OG-N 3.19Å; S20-V24 WeakPolarHBondContact O-CG2 3.4Å; S20-V24 PolarHBondContact O-N 2.84Å |
| 21 | P | 95 | Very high | 94.7 | Very high | 118 Ų | 118 | 49.4 Ų | 49.4 | 77% | 0.766 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -53.3 | -39.5 | -179.3 | -28.9 | 35.6 | 0 | 0 | 0 | 114.1 | F25 | P21-F25 WeakPolarHBondContact O-CB 3.38Å; P21-F25 PolarHBondContact O-N 2.79Å |
| 22 | F | 95.3 | Very high | 95 | Very high | 156 Ų | 156 | 51.7 Ų | 51.7 | 68% | 0.684 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -68.5 | -43.2 | 178 | 179 | -104.7 | 0 | 0 | 0 | 112.4 | S20 F25 V26 | S20-F22 VanDerWaalsContact C-N 3.25Å; S20-F22 PolarHBondContact O-N 3.24Å; S20-F22 VanDerWaalsContact O-N 3.16Å; F22-F25 WeakPolarHBondContact O-CB 3.48Å; F22-F25 PolarHBondContact O-N 3.04Å; F22-V26 HydrophobicContact CE1-CG2 4.22Å; F22-V26 HydrophobicContact CZ-CG2 4.22Å; F22-V26 WeakPolarHBondContact O-CG2 3.3Å; F22-V26 PolarHBondContact O-N 3.34Å |
| 23 | A | 95.7 | Very high | 95.4 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.9 | -38 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F18 S20 F25 V26 Q27 M353 | F18-A23 HydrophobicContact CB-CB 4.47Å; F18-A23 HydrophobicContact CD1-CB 4.46Å; F18-A23 VanDerWaalsContact O-CB 3.27Å; F18-A23 WeakPolarHBondContact O-CB 3.32Å; S20-A23 PolarHBondContact O-N 3.28Å; S20-A23 PolarHBondContact OG-N 3.19Å; A23-F25 VanDerWaalsContact C-N 3.3Å; A23-F25 PolarHBondContact O-N 3.12Å; A23-V26 PolarHBondContact O-N 3.19Å; A23-Q27 WeakPolarHBondContact O-CG 3.34Å; A23-Q27 PolarHBondContact O-N 3.46Å; A23-M353 HydrophobicContact CB-CE 4.44Å; A23-M353 HydrophobicContact CB-SD 4.37Å |
| 24 | V | 96.4 | Very high | 95.7 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 172.1 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | S20 V26 Q27 I28 L384 | S20-V24 WeakPolarHBondContact O-CG2 3.4Å; S20-V24 PolarHBondContact O-N 2.84Å; V24-V26 PolarHBondContact O-N 3.38Å; V24-Q27 PolarHBondContact O-N 2.9Å; V24-I28 HydrophobicContact CG1-CD1 3.79Å; V24-I28 HydrophobicContact CG1-CG1 4.36Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.46Å; V24-I28 PolarHBondContact O-N 2.59Å; V24-L384 HydrophobicContact CG1-CD2 4.34Å; V24-L384 HydrophobicContact CG2-CD1 4.03Å |
| 25 | F | 97 | Very high | 96 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 47% | 0.469 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 173.7 | 171.2 | -99.8 | 0 | 0 | 0 | 112 | P21 F22 A23 Q27 I28 Q29 | P21-F25 WeakPolarHBondContact O-CB 3.38Å; P21-F25 PolarHBondContact O-N 2.79Å; F22-F25 WeakPolarHBondContact O-CB 3.48Å; F22-F25 PolarHBondContact O-N 3.04Å; A23-F25 VanDerWaalsContact C-N 3.3Å; A23-F25 PolarHBondContact O-N 3.12Å; F25-Q27 VanDerWaalsContact C-N 3.3Å; F25-Q27 PolarHBondContact O-N 3.4Å; F25-I28 PolarHBondContact O-N 2.97Å; F25-Q29 HydrophobicContact CD1-CG 4.39Å; F25-Q29 HydrophobicContact CE1-CG 4.06Å; F25-Q29 VanDerWaalsContact CE1-NE2 3.32Å; F25-Q29 HydrophobicContact CE2-CG 4.2Å; F25-Q29 VanDerWaalsContact CZ-CD 3.43Å; F25-Q29 HydrophobicContact CZ-CG 3.97Å; F25-Q29 WeakPolarHBondContact O-CG 3.29Å; F25-Q29 PolarHBondContact O-N 3Å |
| 26 | V | 96.7 | Very high | 96.3 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59 | -40.8 | 176 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | F22 A23 V24 Q29 G30 A349 M353 | F22-V26 HydrophobicContact CE1-CG2 4.22Å; F22-V26 HydrophobicContact CZ-CG2 4.22Å; F22-V26 WeakPolarHBondContact O-CG2 3.3Å; F22-V26 PolarHBondContact O-N 3.34Å; A23-V26 PolarHBondContact O-N 3.19Å; V24-V26 PolarHBondContact O-N 3.38Å; V26-Q29 WeakPolarHBondContact O-CB 3.45Å; V26-Q29 PolarHBondContact O-N 3.31Å; V26-G30 PolarHBondContact O-N 3.08Å; V26-G30 VanDerWaalsContact O-N 3.14Å; V26-A349 HydrophobicContact CG1-CB 3.86Å; V26-M353 HydrophobicContact CB-CE 4.29Å; V26-M353 HydrophobicContact CG1-CE 3.97Å |
| 27 | Q | 98 | Very high | 96.6 | Very high | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.023 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 176.6 | -69 | -177.2 | 78.2 | 0 | 0 | 112.9 | F18 A23 V24 F25 Q29 G30 C31 P350 M353 H357 | F18-Q27 PolarHBondContact O-NE2 3.44Å; A23-Q27 WeakPolarHBondContact O-CG 3.34Å; A23-Q27 PolarHBondContact O-N 3.46Å; V24-Q27 PolarHBondContact O-N 2.9Å; F25-Q27 VanDerWaalsContact C-N 3.3Å; F25-Q27 PolarHBondContact O-N 3.4Å; Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 3.18Å; Q27-G30 PolarHBondContact O-N 3.25Å; Q27-C31 PolarHBondContact O-N 3.22Å; Q27-C31 VanDerWaalsContact O-N 3.11Å; Q27-C31 PolarHBondContact O-SG 3.04Å; Q27-P350 HydrophobicContact CB-CB 4.39Å; Q27-P350 HydrophobicContact CG-CB 4.12Å; Q27-P350 HydrophobicContact CG-CG 4.5Å; Q27-M353 HydrophobicContact CG-CB 4.37Å; Q27-M353 HydrophobicContact CG-SD 3.54Å; Q27-M353 VanDerWaalsContact CG-SD 3.54Å; Q27-H357 PolarHBondContact NE2-NE2 3.43Å |
| 28 | I | 97.3 | Very high | 96.8 | Very high | 94 Ų | 94 | 49.7 Ų | 49.7 | 48% | 0.482 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62 | -39 | 173.9 | -68.3 | 167.5 | 0 | 0 | 0 | 110.9 | V24 F25 C31 T32 | V24-I28 HydrophobicContact CG1-CD1 3.79Å; V24-I28 HydrophobicContact CG1-CG1 4.36Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.46Å; V24-I28 PolarHBondContact O-N 2.59Å; F25-I28 PolarHBondContact O-N 2.97Å; I28-C31 PolarHBondContact O-N 3.26Å; I28-T32 WeakPolarHBondContact O-CB 3.29Å; I28-T32 PolarHBondContact O-N 3.31Å; I28-T32 PolarHBondContact O-OG1 3.26Å |
| 29 | Q | 97.2 | Very high | 97 | Very high | 48 Ų | 48 | 52 Ų | 52 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 177.5 | -74.3 | -168.2 | -41.6 | 0 | 0 | 112 | F25 V26 Q27 C31 T32 I33 Y342 | F25-Q29 HydrophobicContact CD1-CG 4.39Å; F25-Q29 HydrophobicContact CE1-CG 4.06Å; F25-Q29 VanDerWaalsContact CE1-NE2 3.32Å; F25-Q29 HydrophobicContact CE2-CG 4.2Å; F25-Q29 VanDerWaalsContact CZ-CD 3.43Å; F25-Q29 HydrophobicContact CZ-CG 3.97Å; F25-Q29 WeakPolarHBondContact O-CG 3.29Å; F25-Q29 PolarHBondContact O-N 3Å; V26-Q29 WeakPolarHBondContact O-CB 3.45Å; V26-Q29 PolarHBondContact O-N 3.31Å; Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 3.18Å; Q29-C31 VanDerWaalsContact C-N 3.34Å; Q29-C31 PolarHBondContact O-N 2.97Å; Q29-T32 CarbonylContact O-C 3.6Å; Q29-T32 WeakPolarHBondContact O-CA 3.06Å; Q29-T32 WeakPolarHBondContact O-CB 3.42Å; Q29-T32 PolarHBondContact O-N 2.69Å; Q29-T32 VanDerWaalsContact O-N 3.11Å; Q29-I33 WeakPolarHBondContact O-CG1 3.28Å; Q29-I33 PolarHBondContact O-N 3.34Å; Q29-Y342 PolarHBondContact NE2-OH 3.05Å; Q29-Y342 PolarHBondContact OE1-OH 2.79Å |
| 30 | G | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V26 Q27 T32 I33 C34 G346 | V26-G30 PolarHBondContact O-N 3.08Å; V26-G30 VanDerWaalsContact O-N 3.14Å; Q27-G30 PolarHBondContact O-N 3.25Å; G30-T32 VanDerWaalsContact C-N 3.31Å; G30-T32 PolarHBondContact O-N 3.37Å; G30-I33 PolarHBondContact O-N 3.22Å; G30-C34 PolarHBondContact O-N 3.07Å; G30-C34 PolarHBondContact O-SG 3.16Å; G30-G346 WeakPolarHBondContact CA-O 3.48Å |
| 31 | C | 98.2 | Very high | 97.4 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 9% | 0.088 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 170.1 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | Q27 I28 Q29 I33 C34 L35 C391 | Q27-C31 PolarHBondContact O-N 3.22Å; Q27-C31 VanDerWaalsContact O-N 3.11Å; Q27-C31 PolarHBondContact O-SG 3.04Å; I28-C31 PolarHBondContact O-N 3.26Å; Q29-C31 VanDerWaalsContact C-N 3.34Å; Q29-C31 PolarHBondContact O-N 2.97Å; C31-I33 PolarHBondContact O-N 3.31Å; C31-C34 WeakPolarHBondContact O-CB 3.41Å; C31-C34 PolarHBondContact O-N 3.2Å; C31-L35 WeakPolarHBondContact O-CG 3.38Å; C31-L35 PolarHBondContact O-N 3.24Å; C31-C391 HydrophobicContact CB-CB 4.35Å |
| 32 | T | 98.3 | Very high | 97.5 | Very high | 66 Ų | 66 | 47 Ų | 47 | 41% | 0.405 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 175.5 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | I28 Q29 G30 L35 L36 | I28-T32 WeakPolarHBondContact O-CB 3.29Å; I28-T32 PolarHBondContact O-N 3.31Å; I28-T32 PolarHBondContact O-OG1 3.26Å; Q29-T32 CarbonylContact O-C 3.6Å; Q29-T32 WeakPolarHBondContact O-CA 3.06Å; Q29-T32 WeakPolarHBondContact O-CB 3.42Å; Q29-T32 PolarHBondContact O-N 2.69Å; Q29-T32 VanDerWaalsContact O-N 3.11Å; G30-T32 VanDerWaalsContact C-N 3.31Å; G30-T32 PolarHBondContact O-N 3.37Å; T32-L35 PolarHBondContact O-N 2.87Å; T32-L36 HydrophobicContact CG2-CD1 4.06Å; T32-L36 HydrophobicContact CG2-CG 4.34Å; T32-L36 WeakPolarHBondContact O-CB 3.48Å; T32-L36 VanDerWaalsContact O-CG 3.31Å; T32-L36 WeakPolarHBondContact O-CG 3.35Å; T32-L36 PolarHBondContact O-N 3.41Å |
| 33 | I | 98 | Very high | 97.6 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 175.3 | -66.1 | 167.5 | 0 | 0 | 0 | 110.4 | Q29 G30 C31 L35 L36 L37 L343 F347 | Q29-I33 WeakPolarHBondContact O-CG1 3.28Å; Q29-I33 PolarHBondContact O-N 3.34Å; G30-I33 PolarHBondContact O-N 3.22Å; C31-I33 PolarHBondContact O-N 3.31Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 3.09Å; I33-L36 PolarHBondContact O-N 3.15Å; I33-L37 HydrophobicContact CG2-CD1 4.07Å; I33-L37 HydrophobicContact CG2-CG 4.49Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.59Å; I33-L343 HydrophobicContact CD1-CD2 3.93Å; I33-L343 HydrophobicContact CG1-CD2 4.07Å; I33-F347 HydrophobicContact CG2-CB 4.32Å; I33-F347 HydrophobicContact CG2-CD2 3.97Å |
| 34 | C | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.7 | -46.3 | 177.3 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | G30 C31 L37 A38 F347 C391 E395 | G30-C34 PolarHBondContact O-N 3.07Å; G30-C34 PolarHBondContact O-SG 3.16Å; C31-C34 WeakPolarHBondContact O-CB 3.41Å; C31-C34 PolarHBondContact O-N 3.2Å; C34-L37 PolarHBondContact O-N 3.06Å; C34-A38 WeakPolarHBondContact O-CB 3.27Å; C34-A38 PolarHBondContact O-N 3.09Å; C34-F347 VanDerWaalsContact SG-CE2 3.59Å; C34-C391 HydrophobicContact CB-CB 3.96Å; C34-E395 HydrophobicContact CB-CB 4.27Å; C34-E395 PolarHBondContact SG-OE2 2.92Å; C34-E395 VanDerWaalsContact SG-OE2 3.36Å |
| 35 | L | 98.5 | Very high | 97.7 | Very high | 76 Ų | 76 | 43.3 Ų | 43.3 | 40% | 0.398 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.6 | -35.9 | -179.3 | -67.7 | 176.2 | 0 | 0 | 0 | 112.9 | C31 T32 I33 A38 L39 I394 | C31-L35 WeakPolarHBondContact O-CG 3.38Å; C31-L35 PolarHBondContact O-N 3.24Å; T32-L35 PolarHBondContact O-N 2.87Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 3.09Å; L35-A38 PolarHBondContact O-N 3.11Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 PolarHBondContact O-N 2.65Å; L35-I394 HydrophobicContact CD2-CD1 4.16Å; L35-I394 HydrophobicContact CD2-CG2 4.29Å |
| 36 | L | 98 | Very high | 97.7 | Very high | 109 Ų | 109 | 45.4 Ų | 45.4 | 57% | 0.571 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -67 | -42.7 | 175.3 | -73.3 | 173.7 | 0 | 0 | 0 | 111.7 | T32 I33 L39 G40 | T32-L36 HydrophobicContact CG2-CD1 4.06Å; T32-L36 HydrophobicContact CG2-CG 4.34Å; T32-L36 WeakPolarHBondContact O-CB 3.48Å; T32-L36 VanDerWaalsContact O-CG 3.31Å; T32-L36 WeakPolarHBondContact O-CG 3.35Å; T32-L36 PolarHBondContact O-N 3.41Å; I33-L36 PolarHBondContact O-N 3.15Å; L36-L39 PolarHBondContact O-N 2.98Å; L36-G40 PolarHBondContact O-N 3.07Å |
| 37 | L | 98 | Very high | 97.7 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 172.5 | -70.7 | 172.1 | 0 | 0 | 0 | 110.8 | I33 C34 L39 G40 W41 P230 M233 E395 | I33-L37 HydrophobicContact CG2-CD1 4.07Å; I33-L37 HydrophobicContact CG2-CG 4.49Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.59Å; C34-L37 PolarHBondContact O-N 3.06Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.07Å; L37-G40 PolarHBondContact O-N 3.19Å; L37-W41 HydrophobicContact CB-CE3 4.4Å; L37-W41 HydrophobicContact CB-CH2 4.1Å; L37-W41 HydrophobicContact CB-CZ2 4.41Å; L37-W41 HydrophobicContact CB-CZ3 4.11Å; L37-W41 HydrophobicContact CD1-CH2 4.48Å; L37-W41 HydrophobicContact CD2-CZ2 4.41Å; L37-W41 PolarHBondContact O-N 2.96Å; L37-P230 HydrophobicContact CD2-CB 4.24Å; L37-P230 HydrophobicContact CD2-CG 4.21Å; L37-M233 HydrophobicContact CD2-CE 3.78Å; L37-E395 WeakPolarHBondContact CD1-OE1 3.45Å |
| 38 | A | 98.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C34 L35 L42 I394 E395 S398 | C34-A38 WeakPolarHBondContact O-CB 3.27Å; C34-A38 PolarHBondContact O-N 3.09Å; L35-A38 PolarHBondContact O-N 3.11Å; A38-L42 WeakPolarHBondContact O-CB 3.37Å; A38-L42 PolarHBondContact O-N 3.01Å; A38-I394 HydrophobicContact CB-CG2 3.82Å; A38-E395 HydrophobicContact CB-CB 4.46Å; A38-S398 WeakPolarHBondContact O-CB 3.2Å; A38-S398 PolarHBondContact O-OG 3.23Å |
| 39 | L | 98.1 | Very high | 97.6 | Very high | 91 Ų | 91 | 41.9 Ų | 41.9 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.9 | -45.9 | 176.2 | 176.6 | 61 | 0 | 0 | 0 | 111.2 | L35 L36 L37 W41 L42 L43 | L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 PolarHBondContact O-N 2.65Å; L36-L39 PolarHBondContact O-N 2.98Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.07Å; L39-W41 PolarHBondContact O-N 3.49Å; L39-L42 WeakPolarHBondContact O-CB 3.46Å; L39-L42 PolarHBondContact O-N 3.07Å; L39-L43 HydrophobicContact CD1-CD1 4.43Å; L39-L43 HydrophobicContact CD1-CG 4.35Å; L39-L43 HydrophobicContact CG-CD1 4.33Å; L39-L43 WeakPolarHBondContact O-CG 3.45Å; L39-L43 PolarHBondContact O-N 3.08Å |
| 40 | G | 97.3 | Very high | 97.5 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 16% | 0.155 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -41.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L36 L37 L43 A44 M233 | L36-G40 PolarHBondContact O-N 3.07Å; L37-G40 PolarHBondContact O-N 3.19Å; G40-L43 PolarHBondContact O-N 3.31Å; G40-A44 WeakPolarHBondContact O-CB 3.28Å; G40-A44 PolarHBondContact O-N 3.44Å; G40-M233 WeakPolarHBondContact CA-SD 3.49Å |
| 41 | W | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.5 | -33.2 | 173.2 | -66.2 | -36 | 0 | 0 | 0 | 113.3 | L37 L39 A44 E45 M229 P230 E395 M399 L402 | L37-W41 HydrophobicContact CB-CE3 4.4Å; L37-W41 HydrophobicContact CB-CH2 4.1Å; L37-W41 HydrophobicContact CB-CZ2 4.41Å; L37-W41 HydrophobicContact CB-CZ3 4.11Å; L37-W41 HydrophobicContact CD1-CH2 4.48Å; L37-W41 HydrophobicContact CD2-CZ2 4.41Å; L37-W41 PolarHBondContact O-N 2.96Å; L39-W41 PolarHBondContact O-N 3.49Å; W41-A44 PolarHBondContact O-N 3.21Å; W41-E45 VanDerWaalsContact O-CB 3.3Å; W41-E45 WeakPolarHBondContact O-CB 3.39Å; W41-E45 PolarHBondContact O-N 3.49Å; W41-M229 HydrophobicContact CZ2-CB 4.04Å; W41-M229 PolarHBondContact NE1-O 3.21Å; W41-P230 HydrophobicContact CZ2-CG 4.4Å; W41-E395 HydrophobicContact CE3-CG 4.45Å; W41-E395 HydrophobicContact CH2-CG 4.12Å; W41-E395 HydrophobicContact CZ3-CG 3.48Å; W41-E395 VanDerWaalsContact CZ3-CG 3.48Å; W41-M399 HydrophobicContact CD2-CB 4.32Å; W41-M399 HydrophobicContact CE3-CB 3.67Å; W41-M399 HydrophobicContact CE3-CG 4.24Å; W41-M399 HydrophobicContact CH2-CB 4.2Å; W41-M399 HydrophobicContact CH2-CG 4.08Å; W41-M399 HydrophobicContact CH2-SD 4.24Å; W41-M399 HydrophobicContact CZ2-CG 4.38Å; W41-M399 HydrophobicContact CZ3-CB 3.58Å; W41-M399 HydrophobicContact CZ3-CG 3.98Å; W41-M399 HydrophobicContact CZ3-SD 4.46Å; W41-L402 HydrophobicContact CB-CB 4.31Å; W41-L402 HydrophobicContact CB-CD2 3.95Å; W41-L402 VanDerWaalsContact CD1-CD2 3.49Å; W41-L402 HydrophobicContact CG-CD2 3.95Å |
| 42 | L | 97.9 | Very high | 97.4 | Very high | 85 Ų | 85 | 48 Ų | 48 | 45% | 0.445 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 172.5 | -177.8 | 70.5 | 0 | 0 | 0 | 111.5 | A38 L39 E45 Y46 | A38-L42 WeakPolarHBondContact O-CB 3.37Å; A38-L42 PolarHBondContact O-N 3.01Å; L39-L42 WeakPolarHBondContact O-CB 3.46Å; L39-L42 PolarHBondContact O-N 3.07Å; L42-E45 WeakPolarHBondContact O-CB 3.41Å; L42-E45 PolarHBondContact O-N 3.27Å; L42-Y46 PolarHBondContact O-N 3.11Å |
| 43 | L | 96.9 | Very high | 97.4 | Very high | 103 Ų | 103 | 50.3 Ų | 50.3 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.1 | -41.8 | 176.9 | -66.4 | 175.3 | 0 | 0 | 0 | 111.9 | L39 G40 E45 Y46 V47 | L39-L43 HydrophobicContact CD1-CD1 4.43Å; L39-L43 HydrophobicContact CD1-CG 4.35Å; L39-L43 HydrophobicContact CG-CD1 4.33Å; L39-L43 WeakPolarHBondContact O-CG 3.45Å; L39-L43 PolarHBondContact O-N 3.08Å; G40-L43 PolarHBondContact O-N 3.31Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E45 PolarHBondContact O-N 3.04Å; L43-Y46 WeakPolarHBondContact O-CB 3.46Å; L43-Y46 PolarHBondContact O-N 2.81Å; L43-V47 PolarHBondContact O-N 3.29Å |
| 44 | A | 96.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G40 W41 Y46 V47 R48 A236 L402 | G40-A44 WeakPolarHBondContact O-CB 3.28Å; G40-A44 PolarHBondContact O-N 3.44Å; W41-A44 PolarHBondContact O-N 3.21Å; A44-Y46 VanDerWaalsContact C-N 3.31Å; A44-Y46 PolarHBondContact O-N 3.19Å; A44-V47 PolarHBondContact O-N 3.32Å; A44-R48 WeakPolarHBondContact O-CG 3.46Å; A44-R48 PolarHBondContact O-N 2.79Å; A44-A236 HydrophobicContact CB-CB 3.58Å; A44-L402 HydrophobicContact CB-CD1 3.95Å; A44-L402 HydrophobicContact CB-CD2 3.87Å |
| 45 | E | 97.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 53 Ų | 53 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 176.8 | -173 | -86.3 | 168.8 | 0 | 0 | 111.1 | W41 L42 L43 V47 R48 N49 N401 L402 R405 | W41-E45 VanDerWaalsContact O-CB 3.3Å; W41-E45 WeakPolarHBondContact O-CB 3.39Å; W41-E45 PolarHBondContact O-N 3.49Å; L42-E45 WeakPolarHBondContact O-CB 3.41Å; L42-E45 PolarHBondContact O-N 3.27Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E45 PolarHBondContact O-N 3.04Å; E45-V47 VanDerWaalsContact C-N 3.32Å; E45-V47 PolarHBondContact O-N 2.84Å; E45-R48 PolarHBondContact O-N 2.6Å; E45-N49 WeakPolarHBondContact O-CB 3.32Å; E45-N49 PolarHBondContact O-N 2.66Å; E45-N401 WeakPolarHBondContact CG-ND2 3.41Å; E45-L402 HydrophobicContact CB-CB 4.42Å; E45-L402 HydrophobicContact CB-CD1 4.26Å; E45-R405 HydrophobicContact CG-CB 4.17Å; E45-R405 HydrophobicContact CG-CG 3.44Å; E45-R405 VanDerWaalsContact CG-CG 3.44Å; E45-R405 WeakPolarHBondContact OE1-CG 3.46Å; E45-R405 IonicContact OE1-CZ 3.86Å; E45-R405 IonicContact OE1-NE 2.94Å; E45-R405 PolarHBondContact OE1-NE 3.18Å; E45-R405 IonicContact OE1-NH2 2.75Å |
| 46 | Y | 96.7 | Very high | 97.1 | Very high | 152 Ų | 152 | 53.1 Ų | 53.1 | 60% | 0.596 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57.7 | -44.6 | 177.9 | 174.4 | -98 | 0 | 0 | 0 | 111.9 | L42 L43 A44 N49 R50 | L42-Y46 PolarHBondContact O-N 3.11Å; L43-Y46 WeakPolarHBondContact O-CB 3.46Å; L43-Y46 PolarHBondContact O-N 2.81Å; A44-Y46 VanDerWaalsContact C-N 3.31Å; A44-Y46 PolarHBondContact O-N 3.19Å; Y46-N49 PolarHBondContact O-N 3.19Å; Y46-R50 PolarHBondContact O-N 3.38Å |
| 47 | V | 96.4 | Very high | 97.1 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -48.6 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | L43 A44 E45 N49 R50 A236 P293 | L43-V47 PolarHBondContact O-N 3.29Å; A44-V47 PolarHBondContact O-N 3.32Å; E45-V47 VanDerWaalsContact C-N 3.32Å; E45-V47 PolarHBondContact O-N 2.84Å; V47-N49 VanDerWaalsContact C-N 3.33Å; V47-N49 PolarHBondContact O-N 3.04Å; V47-R50 WeakPolarHBondContact O-CB 3.34Å; V47-R50 PolarHBondContact O-N 3.17Å; V47-A236 WeakPolarHBondContact CB-O 3.49Å; V47-A236 WeakPolarHBondContact CG1-O 3.35Å; V47-A236 VanDerWaalsContact CG2-O 3.31Å; V47-A236 WeakPolarHBondContact CG2-O 3.45Å; V47-P293 HydrophobicContact CG1-CB 4.31Å; V47-P293 HydrophobicContact CG1-CG 4.17Å |
| 48 | R | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -37.8 | 178.3 | -61.5 | -64.6 | -165.2 | -164.6 | -5.3 | 111.9 | A44 E45 R50 E51 V52 A236 P293 L402 E406 L409 | A44-R48 WeakPolarHBondContact O-CG 3.46Å; A44-R48 PolarHBondContact O-N 2.79Å; E45-R48 PolarHBondContact O-N 2.6Å; R48-R50 VanDerWaalsContact C-N 3.32Å; R48-R50 PolarHBondContact O-N 3.1Å; R48-E51 WeakPolarHBondContact O-CB 3.16Å; R48-E51 PolarHBondContact O-N 2.52Å; R48-V52 WeakPolarHBondContact O-CG2 3.35Å; R48-V52 PolarHBondContact O-N 3.03Å; R48-A236 HydrophobicContact CG-CB 4.4Å; R48-P293 PolarHBondContact NH1-O 3.11Å; R48-L402 HydrophobicContact CG-CD1 4.41Å; R48-E406 HydrophobicContact CG-CG 4.12Å; R48-E406 IonicContact CZ-OE1 3.72Å; R48-E406 IonicContact NE-OE1 3.62Å; R48-E406 PolarHBondContact NE-OE1 3.49Å; R48-E406 IonicContact NH2-OE1 2.67Å; R48-L409 HydrophobicContact CB-CD2 4.43Å |
| 49 | N | 97.1 | Very high | 96.9 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 10% | 0.096 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68 | -31.5 | 178.8 | -174.4 | 39 | 0 | 0 | 0 | 112.3 | E45 Y46 V47 E51 V52 K53 | E45-N49 WeakPolarHBondContact O-CB 3.32Å; E45-N49 PolarHBondContact O-N 2.66Å; Y46-N49 PolarHBondContact O-N 3.19Å; V47-N49 VanDerWaalsContact C-N 3.33Å; V47-N49 PolarHBondContact O-N 3.04Å; N49-E51 VanDerWaalsContact C-N 3.3Å; N49-E51 PolarHBondContact O-N 2.98Å; N49-V52 PolarHBondContact O-N 3.22Å; N49-K53 WeakPolarHBondContact O-CB 3.44Å; N49-K53 WeakPolarHBondContact O-CG 3.45Å; N49-K53 PolarHBondContact O-N 3.19Å |
| 50 | R | 96.7 | Very high | 96.8 | Very high | 174 Ų | 174 | 59.9 Ų | 59.9 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -58.2 | -44 | 171.1 | -176.5 | -178.7 | 175.5 | -178 | -2 | 111.1 | Y46 V47 R48 K53 R54 | Y46-R50 PolarHBondContact O-N 3.38Å; V47-R50 WeakPolarHBondContact O-CB 3.34Å; V47-R50 PolarHBondContact O-N 3.17Å; R48-R50 VanDerWaalsContact C-N 3.32Å; R48-R50 PolarHBondContact O-N 3.1Å; R50-K53 PolarHBondContact O-N 3.21Å; R50-R54 WeakPolarHBondContact O-CB 3.41Å; R50-R54 PolarHBondContact O-N 3.01Å |
| 51 | E | 95.5 | Very high | 96.7 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.2 | -43 | 177.8 | -59.2 | -62.5 | 96 | 0 | 0 | 112.3 | R48 N49 K53 R54 I55 P293 L409 | R48-E51 WeakPolarHBondContact O-CB 3.16Å; R48-E51 PolarHBondContact O-N 2.52Å; N49-E51 VanDerWaalsContact C-N 3.3Å; N49-E51 PolarHBondContact O-N 2.98Å; E51-K53 VanDerWaalsContact C-N 3.29Å; E51-K53 PolarHBondContact O-N 3.06Å; E51-R54 VanDerWaalsContact CD-NH1 3.28Å; E51-R54 WeakPolarHBondContact O-CB 3.46Å; E51-R54 PolarHBondContact O-N 3.37Å; E51-R54 VanDerWaalsContact O-N 3.13Å; E51-R54 IonicContact OE1-CZ 2.74Å; E51-R54 IonicContact OE1-NH1 3.62Å; E51-R54 PolarHBondContact OE1-NH1 2.68Å; E51-R54 VanDerWaalsContact OE1-NH1 3.16Å; E51-R54 IonicContact OE2-CZ 2.88Å; E51-R54 IonicContact OE2-NH1 2.93Å; E51-R54 PolarHBondContact OE2-NH1 2.87Å; E51-R54 IonicContact OE2-NH2 2.65Å; E51-R54 PolarHBondContact OE2-NH2 3.47Å; E51-I55 WeakPolarHBondContact O-CG1 3.45Å; E51-I55 PolarHBondContact O-N 3.4Å; E51-P293 HydrophobicContact CG-CB 3.3Å; E51-P293 HydrophobicContact CG-CG 4.33Å; E51-L409 HydrophobicContact CB-CD1 4.27Å |
| 52 | V | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 174.1 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | R48 N49 K56 Q408 L409 M412 | R48-V52 WeakPolarHBondContact O-CG2 3.35Å; R48-V52 PolarHBondContact O-N 3.03Å; N49-V52 PolarHBondContact O-N 3.22Å; V52-K56 HydrophobicContact CG1-CD 4.2Å; V52-K56 WeakPolarHBondContact O-CB 3.35Å; V52-K56 WeakPolarHBondContact O-CG 3.3Å; V52-K56 PolarHBondContact O-N 3.04Å; V52-Q408 HydrophobicContact CG1-CG 4.15Å; V52-Q408 HydrophobicContact CG2-CG 4.34Å; V52-L409 HydrophobicContact CG2-CB 3.92Å; V52-L409 HydrophobicContact CG2-CD1 4.03Å; V52-L409 HydrophobicContact CG2-CG 4.49Å; V52-M412 HydrophobicContact CG1-SD 3.88Å |
| 53 | K | 97.6 | Very high | 96.5 | Very high | 114 Ų | 114 | 62.9 Ų | 62.9 | 50% | 0.496 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 176.1 | -74.1 | 175.4 | -178.6 | 176 | 0 | 111.5 | N49 R50 E51 K56 N57 | N49-K53 WeakPolarHBondContact O-CB 3.44Å; N49-K53 WeakPolarHBondContact O-CG 3.45Å; N49-K53 PolarHBondContact O-N 3.19Å; R50-K53 PolarHBondContact O-N 3.21Å; E51-K53 VanDerWaalsContact C-N 3.29Å; E51-K53 PolarHBondContact O-N 3.06Å; K53-K56 PolarHBondContact O-N 2.81Å; K53-N57 WeakPolarHBondContact O-CB 3.33Å; K53-N57 PolarHBondContact O-N 2.87Å; K53-N57 PolarHBondContact O-ND2 2.8Å |
| 54 | R | 95.8 | Very high | 96.4 | Very high | 78 Ų | 78 | 62 Ų | 62 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.3 | -53.8 | 177.1 | -171.7 | -173.7 | 76.8 | -154 | -10.3 | 111.1 | R50 E51 K56 N57 S58 Q70 | R50-R54 WeakPolarHBondContact O-CB 3.41Å; R50-R54 PolarHBondContact O-N 3.01Å; E51-R54 VanDerWaalsContact CD-NH1 3.28Å; E51-R54 WeakPolarHBondContact O-CB 3.46Å; E51-R54 PolarHBondContact O-N 3.37Å; E51-R54 VanDerWaalsContact O-N 3.13Å; E51-R54 IonicContact OE1-CZ 2.74Å; E51-R54 IonicContact OE1-NH1 3.62Å; E51-R54 PolarHBondContact OE1-NH1 2.68Å; E51-R54 VanDerWaalsContact OE1-NH1 3.16Å; E51-R54 IonicContact OE2-CZ 2.88Å; E51-R54 IonicContact OE2-NH1 2.93Å; E51-R54 PolarHBondContact OE2-NH1 2.87Å; E51-R54 IonicContact OE2-NH2 2.65Å; E51-R54 PolarHBondContact OE2-NH2 3.47Å; R54-K56 PolarHBondContact O-N 2.74Å; R54-N57 PolarHBondContact O-N 3.21Å; R54-S58 PolarHBondContact O-N 3.14Å; R54-S58 PolarHBondContact O-OG 2.86Å; R54-Q70 HydrophobicContact CG-CG 4.45Å |
| 55 | I | 96.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | -179.4 | -61.8 | 165.8 | 0 | 0 | 0 | 110.5 | E51 N57 S58 I59 A66 L409 M412 L413 | E51-I55 WeakPolarHBondContact O-CG1 3.45Å; E51-I55 PolarHBondContact O-N 3.4Å; I55-N57 VanDerWaalsContact C-N 3.34Å; I55-N57 PolarHBondContact O-N 2.74Å; I55-S58 PolarHBondContact O-N 2.92Å; I55-I59 HydrophobicContact CG2-CD1 3.86Å; I55-I59 HydrophobicContact CG2-CG1 4.45Å; I55-I59 WeakPolarHBondContact O-CG1 3.19Å; I55-I59 PolarHBondContact O-N 3.33Å; I55-A66 HydrophobicContact CG2-CB 4.08Å; I55-L409 HydrophobicContact CD1-CD1 3.89Å; I55-M412 HydrophobicContact CB-CE 3.48Å; I55-M412 VanDerWaalsContact CB-CE 3.48Å; I55-M412 HydrophobicContact CD1-CE 4.42Å; I55-M412 HydrophobicContact CG2-CE 3.33Å; I55-L413 HydrophobicContact CD1-CD2 4Å |
| 56 | K | 97 | Very high | 96.3 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 34% | 0.339 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 177.1 | -77.4 | 179.2 | -174 | 175.4 | 0 | 112.9 | V52 K53 R54 I59 K60 M412 | V52-K56 HydrophobicContact CG1-CD 4.2Å; V52-K56 WeakPolarHBondContact O-CB 3.35Å; V52-K56 WeakPolarHBondContact O-CG 3.3Å; V52-K56 PolarHBondContact O-N 3.04Å; K53-K56 PolarHBondContact O-N 2.81Å; R54-K56 PolarHBondContact O-N 2.74Å; K56-I59 PolarHBondContact O-N 2.95Å; K56-K60 WeakPolarHBondContact O-CG 3.27Å; K56-K60 PolarHBondContact O-N 3.42Å; K56-M412 HydrophobicContact CG-CE 3.73Å; K56-M412 HydrophobicContact CG-SD 4.34Å |
| 57 | N | 97.4 | Very high | 96.1 | Very high | 100 Ų | 100 | 58.4 Ų | 58.4 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | -180 | -70.4 | -10.7 | 0 | 0 | 0 | 111 | K53 R54 I55 I59 K60 A61 | K53-N57 WeakPolarHBondContact O-CB 3.33Å; K53-N57 PolarHBondContact O-N 2.87Å; K53-N57 PolarHBondContact O-ND2 2.8Å; R54-N57 PolarHBondContact O-N 3.21Å; I55-N57 VanDerWaalsContact C-N 3.34Å; I55-N57 PolarHBondContact O-N 2.74Å; N57-I59 PolarHBondContact O-N 2.8Å; N57-K60 PolarHBondContact O-N 3.29Å; N57-A61 WeakPolarHBondContact O-CB 3.32Å; N57-A61 PolarHBondContact O-N 2.99Å |
| 58 | S | 96.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 12% | 0.119 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.3 | -42 | 173.7 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | R54 I55 A61 G62 N63 | R54-S58 PolarHBondContact O-N 3.14Å; R54-S58 PolarHBondContact O-OG 2.86Å; I55-S58 PolarHBondContact O-N 2.92Å; S58-A61 CarbonylContact O-C 3.56Å; S58-A61 PolarHBondContact O-N 3.3Å; S58-G62 PolarHBondContact O-N 3.44Å; S58-N63 PolarHBondContact O-N 3.32Å |
| 59 | I | 96.1 | Very high | 96 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 175.1 | -67.3 | 168.3 | 0 | 0 | 0 | 111 | I55 K56 N57 A61 G62 N63 A66 | I55-I59 HydrophobicContact CG2-CD1 3.86Å; I55-I59 HydrophobicContact CG2-CG1 4.45Å; I55-I59 WeakPolarHBondContact O-CG1 3.19Å; I55-I59 PolarHBondContact O-N 3.33Å; K56-I59 PolarHBondContact O-N 2.95Å; N57-I59 PolarHBondContact O-N 2.8Å; I59-A61 PolarHBondContact O-N 2.89Å; I59-G62 PolarHBondContact O-N 3.2Å; I59-N63 WeakPolarHBondContact CA-O 3.4Å; I59-N63 WeakPolarHBondContact CG1-O 3.4Å; I59-A66 HydrophobicContact CG1-CB 3.96Å |
| 60 | K | 95.9 | Very high | 95.7 | Very high | 175 Ų | 175 | 63.9 Ų | 63.9 | 76% | 0.761 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.3 | -30.9 | 176.1 | -74.1 | 177.4 | 179.1 | -174.3 | 0 | 112.9 | K56 N57 G62 | K56-K60 WeakPolarHBondContact O-CG 3.27Å; K56-K60 PolarHBondContact O-N 3.42Å; N57-K60 PolarHBondContact O-N 3.29Å; K60-G62 PolarHBondContact O-N 3Å |
| 61 | A | 95.8 | Very high | 95.5 | Very high | 91 Ų | 91 | 59.2 Ų | 59.2 | 75% | 0.752 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 1.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N57 S58 I59 | N57-A61 WeakPolarHBondContact O-CB 3.32Å; N57-A61 PolarHBondContact O-N 2.99Å; S58-A61 CarbonylContact O-C 3.56Å; S58-A61 PolarHBondContact O-N 3.3Å; I59-A61 PolarHBondContact O-N 2.89Å |
| 62 | G | 95.3 | Very high | 95.3 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 61% | 0.608 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.2 | -4.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S58 I59 K60 S64 | S58-G62 PolarHBondContact O-N 3.44Å; I59-G62 PolarHBondContact O-N 3.2Å; K60-G62 PolarHBondContact O-N 3Å; G62-S64 PolarHBondContact O-N 2.96Å |
| 63 | N | 96.2 | Very high | 95.2 | Very high | 14 Ų | 14 | 66.2 Ų | 66.2 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | trans | -86.6 | 90.9 | 175.8 | -178.9 | 5.7 | 0 | 0 | 0 | 110.9 | S58 I59 L65 A66 Y69 Q70 | S58-N63 PolarHBondContact O-N 3.32Å; I59-N63 WeakPolarHBondContact CA-O 3.4Å; I59-N63 WeakPolarHBondContact CG1-O 3.4Å; N63-L65 PolarHBondContact O-N 2.98Å; N63-L65 VanDerWaalsContact OD1-C 3.3Å; N63-L65 WeakPolarHBondContact OD1-CA 3.12Å; N63-L65 PolarHBondContact OD1-N 3.28Å; N63-A66 HydrophobicContact CB-CB 4.5Å; N63-A66 WeakPolarHBondContact O-CB 3.34Å; N63-A66 PolarHBondContact O-N 3.23Å; N63-A66 PolarHBondContact OD1-N 2.88Å; N63-Y69 PolarHBondContact ND2-O 2.96Å; N63-Q70 PolarHBondContact ND2-O 2.96Å | ||
| 64 | S | 94.6 | Very high | 95 | Very high | 85 Ų | 85 | 63.9 Ų | 63.9 | 59% | 0.594 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.8 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | G62 | G62-S64 PolarHBondContact O-N 2.96Š|
| 65 | L | 95.2 | Very high | 94.9 | Very high | 62 Ų | 62 | 62.7 Ų | 62.7 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 18.2 | 179.1 | -59.9 | 179 | 0 | 0 | 0 | 112.7 | N63 F67 L68 Y69 L75 | N63-L65 PolarHBondContact O-N 2.98Å; N63-L65 VanDerWaalsContact OD1-C 3.3Å; N63-L65 WeakPolarHBondContact OD1-CA 3.12Å; N63-L65 PolarHBondContact OD1-N 3.28Å; L65-F67 HydrophobicContact CD2-CE1 3.87Å; L65-F67 HydrophobicContact CD2-CZ 4.14Å; L65-F67 PolarHBondContact O-N 3.1Å; L65-L68 WeakPolarHBondContact O-CB 3.41Å; L65-L68 PolarHBondContact O-N 3.02Å; L65-Y69 PolarHBondContact O-N 2.93Å; L65-L75 HydrophobicContact CB-CD1 4.05Å; L65-L75 HydrophobicContact CD1-CD1 3.5Å; L65-L75 HydrophobicContact CG-CD1 4.43Å |
| 66 | A | 95.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 67.2 Ų | 67.2 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -16.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | I55 I59 N63 L68 Y69 | I55-A66 HydrophobicContact CG2-CB 4.08Å; I59-A66 HydrophobicContact CG1-CB 3.96Å; N63-A66 HydrophobicContact CB-CB 4.5Å; N63-A66 WeakPolarHBondContact O-CB 3.34Å; N63-A66 PolarHBondContact O-N 3.23Å; N63-A66 PolarHBondContact OD1-N 2.88Å; A66-L68 VanDerWaalsContact C-N 3.29Å; A66-Y69 WeakPolarHBondContact CA-O 3.39Å |
| 67 | F | 94 | Very high | 94.7 | Very high | 28 Ų | 28 | 70.5 Ų | 70.5 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -17 | 174.1 | 69.9 | -89.6 | 0 | 0 | 0 | 113.4 | L65 M412 L413 P415 | L65-F67 HydrophobicContact CD2-CE1 3.87Å; L65-F67 HydrophobicContact CD2-CZ 4.14Å; L65-F67 PolarHBondContact O-N 3.1Å; F67-M412 VanDerWaalsContact CB-O 3.26Å; F67-M412 WeakPolarHBondContact CB-O 3.35Å; F67-L413 WeakPolarHBondContact CD2-O 3.35Å; F67-P415 HydrophobicContact CD1-CG 4.33Å; F67-P415 HydrophobicContact CD2-CG 4.49Å; F67-P415 HydrophobicContact CE1-CG 4.02Å; F67-P415 HydrophobicContact CE2-CG 4.19Å; F67-P415 HydrophobicContact CZ-CG 3.95Å |
| 68 | L | 95.3 | Very high | 94.6 | Very high | 23 Ų | 23 | 68.4 Ų | 68.4 | 12% | 0.12 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -60.6 | 171.8 | -60.5 | 177.6 | 0 | 0 | 0 | 110.4 | L65 A66 L110 P188 | L65-L68 WeakPolarHBondContact O-CB 3.41Å; L65-L68 PolarHBondContact O-N 3.02Å; A66-L68 VanDerWaalsContact C-N 3.29Å; L68-L110 HydrophobicContact CD1-CB 4.14Å; L68-L110 HydrophobicContact CD1-CD1 3.78Å; L68-L110 HydrophobicContact CD2-CB 4.03Å; L68-L110 HydrophobicContact CD2-CD1 4.09Å; L68-P188 HydrophobicContact CD2-CB 4.16Å |
| 69 | Y | 93.5 | Very high | 94.5 | Very high | 23 Ų | 23 | 73.8 Ų | 73.8 | 9% | 0.09 | 40% | 0.395 | C | S | . | . | trans | -135.6 | 135 | -177.6 | -69.6 | -84.4 | 0 | 0 | 0 | 110.6 | N63 L65 A66 D71 E74 L75 | N63-Y69 PolarHBondContact ND2-O 2.96Å; L65-Y69 PolarHBondContact O-N 2.93Å; A66-Y69 WeakPolarHBondContact CA-O 3.39Å; Y69-D71 WeakPolarHBondContact CB-O 3.33Å; Y69-E74 HydrophobicContact CD1-CB 3.54Å; Y69-E74 HydrophobicContact CD1-CG 4.05Å; Y69-E74 HydrophobicContact CD2-CB 4.44Å; Y69-E74 HydrophobicContact CE1-CB 4.08Å; Y69-E74 HydrophobicContact CG-CB 3.75Å; Y69-L75 HydrophobicContact CD2-CD2 3.5Å; Y69-L75 VanDerWaalsContact CD2-CD2 3.5Å; Y69-L75 HydrophobicContact CD2-CG 3.85Å; Y69-L75 HydrophobicContact CE2-CD2 3.69Å; Y69-L75 HydrophobicContact CE2-CG 4.46Å | ||
| 70 | Q | 91 | Very high | 94.5 | Very high | 117 Ų | 117 | 70.8 Ų | 70.8 | 55% | 0.547 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -63.4 | -45.4 | 176.7 | -179.2 | -177.3 | -10.2 | 0 | 0 | 111.4 | R54 N63 | R54-Q70 HydrophobicContact CG-CG 4.45Å; N63-Q70 PolarHBondContact ND2-O 2.96Å |
| 71 | D | 92.3 | Very high | 94.4 | Very high | 75 Ų | 75 | 67.1 Ų | 67.1 | 40% | 0.401 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -92.3 | 119.9 | 170.8 | -175.5 | -2.2 | 0 | 0 | 0 | 108.8 | Y69 N73 E74 | Y69-D71 WeakPolarHBondContact CB-O 3.33Å; D71-N73 PolarHBondContact O-N 2.79Å; D71-N73 WeakPolarHBondContact OD1-CB 3.35Å; D71-N73 PolarHBondContact OD1-N 3.47Å; D71-N73 PolarHBondContact OD1-ND2 3.35Å; D71-E74 HydrophobicContact CB-CG 4.21Å; D71-E74 WeakPolarHBondContact O-CB 3.48Å; D71-E74 PolarHBondContact O-N 3Å |
| 72 | I | 92.7 | Very high | 94.4 | Very high | 80 Ų | 80 | 70.7 Ų | 70.7 | 41% | 0.41 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -65.5 | -25.1 | -179.7 | -164.4 | 167.9 | 0 | 0 | 0 | 111.9 | E74 L75 | I72-E74 PolarHBondContact O-N 3.27Å; I72-L75 HydrophobicContact CG1-CD1 4.46Å; I72-L75 WeakPolarHBondContact O-CB 3.12Å; I72-L75 PolarHBondContact O-N 3.37Å |
| 73 | N | 93.9 | Very high | 94.6 | Very high | 82 Ų | 82 | 69.4 Ų | 69.4 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -67.8 | -17.3 | 179 | -56.1 | -48.9 | 0 | 0 | 0 | 112.3 | D71 L75 E76 | D71-N73 PolarHBondContact O-N 2.79Å; D71-N73 WeakPolarHBondContact OD1-CB 3.35Å; D71-N73 PolarHBondContact OD1-N 3.47Å; D71-N73 PolarHBondContact OD1-ND2 3.35Å; N73-L75 PolarHBondContact O-N 3Å; N73-E76 VanDerWaalsContact O-CB 3.29Å; N73-E76 WeakPolarHBondContact O-CB 3.44Å; N73-E76 VanDerWaalsContact O-CG 3.28Å; N73-E76 WeakPolarHBondContact O-CG 3.34Å; N73-E76 PolarHBondContact O-N 2.87Å; N73-E76 VanDerWaalsContact O-N 3.08Å |
| 74 | E | 93.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 69.5 Ų | 69.5 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -62.7 | -25.3 | 171.7 | -68.4 | -62 | 155.6 | 0 | 0 | 111.6 | Y69 D71 I72 E76 R79 Q80 | Y69-E74 HydrophobicContact CD1-CB 3.54Å; Y69-E74 HydrophobicContact CD1-CG 4.05Å; Y69-E74 HydrophobicContact CD2-CB 4.44Å; Y69-E74 HydrophobicContact CE1-CB 4.08Å; Y69-E74 HydrophobicContact CG-CB 3.75Å; D71-E74 HydrophobicContact CB-CG 4.21Å; D71-E74 WeakPolarHBondContact O-CB 3.48Å; D71-E74 PolarHBondContact O-N 3Å; I72-E74 PolarHBondContact O-N 3.27Å; E74-E76 PolarHBondContact O-N 3.39Å; E74-R79 WeakPolarHBondContact O-CB 3.33Å; E74-Q80 PolarHBondContact O-NE2 2.91Å |
| 75 | L | 94.2 | Very high | 94.8 | Very high | 52 Ų | 52 | 67.8 Ų | 67.8 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -77.7 | -3.9 | 176.1 | -67 | 170.9 | 0 | 0 | 0 | 113.8 | L65 Y69 I72 N73 | L65-L75 HydrophobicContact CB-CD1 4.05Å; L65-L75 HydrophobicContact CD1-CD1 3.5Å; L65-L75 HydrophobicContact CG-CD1 4.43Å; Y69-L75 HydrophobicContact CD2-CD2 3.5Å; Y69-L75 VanDerWaalsContact CD2-CD2 3.5Å; Y69-L75 HydrophobicContact CD2-CG 3.85Å; Y69-L75 HydrophobicContact CE2-CD2 3.69Å; Y69-L75 HydrophobicContact CE2-CG 4.46Å; I72-L75 HydrophobicContact CG1-CD1 4.46Å; I72-L75 WeakPolarHBondContact O-CB 3.12Å; I72-L75 PolarHBondContact O-N 3.37Å; N73-L75 PolarHBondContact O-N 3Å |
| 76 | E | 95.1 | Very high | 95 | Very high | 98 Ų | 98 | 64.8 Ų | 64.8 | 46% | 0.458 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -59.9 | 140.9 | 174.9 | -73.2 | -177.9 | -179.8 | 0 | 0 | 111.4 | N73 E74 S78 R79 Q80 | N73-E76 VanDerWaalsContact O-CB 3.29Å; N73-E76 WeakPolarHBondContact O-CB 3.44Å; N73-E76 VanDerWaalsContact O-CG 3.28Å; N73-E76 WeakPolarHBondContact O-CG 3.34Å; N73-E76 PolarHBondContact O-N 2.87Å; N73-E76 VanDerWaalsContact O-N 3.08Å; E74-E76 PolarHBondContact O-N 3.39Å; E76-S78 PolarHBondContact O-N 3.36Å; E76-S78 VanDerWaalsContact O-N 3.1Å; E76-S78 PolarHBondContact OE2-OG 2.67Å; E76-R79 HydrophobicContact CB-CG 4.39Å; E76-R79 WeakPolarHBondContact O-CB 3.46Å; E76-R79 PolarHBondContact O-N 3.06Å; E76-Q80 WeakPolarHBondContact O-CG 3.33Å; E76-Q80 PolarHBondContact O-N 2.91Å |
| 77 | H | 94.3 | Very high | 95.2 | Very high | 148 Ų | 148 | 64.6 Ų | 64.6 | 69% | 0.685 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -53.7 | -36.4 | 178.4 | -177.8 | 72.5 | 0 | 0 | 0 | 112.8 | R79 Q80 V81 | H77-R79 PolarHBondContact O-N 3.29Å; H77-Q80 PolarHBondContact O-N 3.4Å; H77-V81 WeakPolarHBondContact O-CB 3.33Å; H77-V81 VanDerWaalsContact O-CG1 3.32Å; H77-V81 WeakPolarHBondContact O-CG1 3.42Å; H77-V81 PolarHBondContact O-N 3.31Å |
| 78 | S | 96 | Very high | 95.4 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.4 | -26.9 | 178.2 | 72.1 | 0 | 0 | 0 | 0 | 113.7 | E76 K82 | E76-S78 PolarHBondContact O-N 3.36Å; E76-S78 VanDerWaalsContact O-N 3.1Å; E76-S78 PolarHBondContact OE2-OG 2.67Å; S78-K82 WeakPolarHBondContact O-CD 3.26Å; S78-K82 VanDerWaalsContact O-CE 3.27Å; S78-K82 WeakPolarHBondContact O-CE 3.36Å |
| 79 | R | 94.7 | Very high | 95.6 | Very high | 130 Ų | 130 | 62.1 Ų | 62.1 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -90.1 | -49.2 | 175.5 | -63.4 | -73.1 | -178 | 167.8 | 3.6 | 110.3 | E74 E76 H77 V81 K82 | E74-R79 WeakPolarHBondContact O-CB 3.33Å; E76-R79 HydrophobicContact CB-CG 4.39Å; E76-R79 WeakPolarHBondContact O-CB 3.46Å; E76-R79 PolarHBondContact O-N 3.06Å; H77-R79 PolarHBondContact O-N 3.29Å; R79-V81 VanDerWaalsContact C-N 3.33Å; R79-V81 PolarHBondContact O-N 2.91Å; R79-K82 WeakPolarHBondContact O-CB 3.49Å; R79-K82 PolarHBondContact O-N 3.3Å |
| 80 | Q | 95.2 | Very high | 95.8 | Very high | 19 Ų | 19 | 61 Ų | 61 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -38.7 | -176.1 | -64 | -62.7 | -63 | 0 | 0 | 112.5 | E74 E76 H77 K82 L83 G112 | E74-Q80 PolarHBondContact O-NE2 2.91Å; E76-Q80 WeakPolarHBondContact O-CG 3.33Å; E76-Q80 PolarHBondContact O-N 2.91Å; H77-Q80 PolarHBondContact O-N 3.4Å; Q80-K82 PolarHBondContact O-N 3.07Å; Q80-K82 VanDerWaalsContact O-N 3.16Å; Q80-L83 HydrophobicContact CB-CD1 4.49Å; Q80-L83 VanDerWaalsContact O-CB 3.28Å; Q80-L83 WeakPolarHBondContact O-CB 3.44Å; Q80-L83 WeakPolarHBondContact O-CG 3.41Å; Q80-L83 PolarHBondContact O-N 3.16Å; Q80-L83 VanDerWaalsContact O-N 3.09Å; Q80-L83 VanDerWaalsContact OE1-CD1 3.3Å; Q80-G112 VanDerWaalsContact OE1-N 3.09Å |
| 81 | V | 94.7 | Very high | 96.1 | Very high | 97 Ų | 97 | 56 Ų | 56 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19 | 178.3 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | H77 R79 | H77-V81 WeakPolarHBondContact O-CB 3.33Å; H77-V81 VanDerWaalsContact O-CG1 3.32Å; H77-V81 WeakPolarHBondContact O-CG1 3.42Å; H77-V81 PolarHBondContact O-N 3.31Å; R79-V81 VanDerWaalsContact C-N 3.33Å; R79-V81 PolarHBondContact O-N 2.91Å |
| 82 | K | 96.3 | Very high | 96.2 | Very high | 166 Ų | 166 | 52.5 Ų | 52.5 | 72% | 0.722 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -6.8 | 178.5 | -62 | 176.3 | -176.7 | 171.1 | 0 | 112.8 | S78 R79 Q80 | S78-K82 WeakPolarHBondContact O-CD 3.26Å; S78-K82 VanDerWaalsContact O-CE 3.27Å; S78-K82 WeakPolarHBondContact O-CE 3.36Å; R79-K82 WeakPolarHBondContact O-CB 3.49Å; R79-K82 PolarHBondContact O-N 3.3Å; Q80-K82 PolarHBondContact O-N 3.07Å; Q80-K82 VanDerWaalsContact O-N 3.16Å |
| 83 | L | 97.7 | Very high | 96.1 | Very high | 32 Ų | 32 | 51 Ų | 51 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 138.4 | -179.3 | -70.4 | 176.4 | 0 | 0 | 0 | 110.5 | Q80 Y111 | Q80-L83 HydrophobicContact CB-CD1 4.49Å; Q80-L83 VanDerWaalsContact O-CB 3.28Å; Q80-L83 WeakPolarHBondContact O-CB 3.44Å; Q80-L83 WeakPolarHBondContact O-CG 3.41Å; Q80-L83 PolarHBondContact O-N 3.16Å; Q80-L83 VanDerWaalsContact O-N 3.09Å; Q80-L83 VanDerWaalsContact OE1-CD1 3.3Å; L83-Y111 HydrophobicContact CB-CE2 4.17Å; L83-Y111 HydrophobicContact CD1-CD2 4.11Å; L83-Y111 HydrophobicContact CD1-CE2 3.77Å; L83-Y111 HydrophobicContact CD2-CE2 4.29Å; L83-Y111 HydrophobicContact CG-CE2 4.31Å |
| 84 | P | 98.2 | Very high | 95.9 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 159 | -176 | 32 | -39.5 | 0 | 0 | 0 | 112.2 | Y111 K175 Y176 T195 E199 | P84-Y111 VanDerWaalsContact CD-OH 3.28Å; P84-Y111 WeakPolarHBondContact CD-OH 3.37Å; P84-Y111 PolarHBondContact O-OH 3.36Å; P84-K175 HydrophobicContact CB-CB 3.85Å; P84-K175 HydrophobicContact CB-CD 3.52Å; P84-K175 HydrophobicContact CB-CG 4.28Å; P84-K175 HydrophobicContact CG-CD 4.27Å; P84-Y176 HydrophobicContact CB-CD2 4.42Å; P84-Y176 HydrophobicContact CB-CE2 4.37Å; P84-Y176 HydrophobicContact CG-CD2 3.94Å; P84-Y176 HydrophobicContact CG-CE2 3.81Å; P84-T195 HydrophobicContact CG-CG2 3.38Å; P84-E199 WeakPolarHBondContact CG-OE1 3.45Å |
| 85 | R | 98.5 | Very high | 95.6 | Very high | 48 Ų | 48 | 46 Ų | 46 | 18% | 0.181 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 134.4 | 170 | 178.3 | 174.6 | -70.9 | -89.7 | 5.7 | 110.9 | P114 E144 H171 K175 Y176 | R85-P114 VanDerWaalsContact CA-O 3.32Å; R85-P114 WeakPolarHBondContact CA-O 3.47Å; R85-P114 HydrophobicContact CB-CB 4.06Å; R85-P114 HydrophobicContact CB-CG 4.4Å; R85-P114 HydrophobicContact CG-CB 4.09Å; R85-E144 IonicContact NH1-OE2 3.62Å; R85-E144 PolarHBondContact NH1-OE2 2.98Å; R85-E144 VanDerWaalsContact NH1-OE2 3.09Å; R85-H171 WeakPolarHBondContact CD-ND1 3.43Å; R85-H171 PolarHBondContact NE-ND1 3.33Å; R85-K175 PolarHBondContact O-N 3.2Å; R85-Y176 PolarHBondContact O-N 2.82Å |
| 86 | V | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.3 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 110 | V88 Y111 P114 L115 E116 Y176 L178 I191 M250 | V86-V88 HydrophobicContact CG1-CG2 4.44Å; V86-Y111 HydrophobicContact CG2-CE1 4.12Å; V86-P114 PolarHBondContact N-O 2.95Å; V86-L115 HydrophobicContact CB-CD2 3.82Å; V86-L115 WeakPolarHBondContact O-CA 3.03Å; V86-E116 PolarHBondContact O-N 2.71Å; V86-Y176 WeakPolarHBondContact CA-O 3.24Å; V86-L178 HydrophobicContact CG1-CB 4.15Å; V86-I191 HydrophobicContact CB-CG2 4.28Å; V86-I191 HydrophobicContact CG1-CG2 4.16Å; V86-I191 HydrophobicContact CG2-CG2 4.14Å; V86-M250 HydrophobicContact CG1-CE 4.13Å |
| 87 | S | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.6 | 169.2 | -60 | 0 | 0 | 0 | 0 | 109.6 | E116 T174 Y176 V177 L178 | S87-E116 WeakPolarHBondContact CB-OE1 3.02Å; S87-E116 WeakPolarHBondContact OG-CG 2.84Å; S87-E116 PolarHBondContact OG-OE1 3.09Å; S87-T174 WeakPolarHBondContact OG-CB 3.31Å; S87-T174 WeakPolarHBondContact OG-CG2 3.49Å; S87-T174 PolarHBondContact OG-OG1 3.01Å; S87-Y176 PolarHBondContact N-O 2.99Å; S87-V177 CarbonylContact O-C 3.41Å; S87-V177 WeakPolarHBondContact O-CA 3.17Å; S87-L178 PolarHBondContact O-N 2.97Å |
| 88 | V | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116 | 178.4 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | V86 M90 E116 F117 L118 L178 L180 I191 | V86-V88 HydrophobicContact CG1-CG2 4.44Å; V88-M90 HydrophobicContact CG1-CE 4.09Å; V88-M90 HydrophobicContact CG1-CG 4.32Å; V88-M90 HydrophobicContact CG1-SD 4.41Å; V88-E116 PolarHBondContact N-O 3.39Å; V88-F117 HydrophobicContact CB-CD1 3.62Å; V88-F117 HydrophobicContact CB-CE1 4Å; V88-F117 HydrophobicContact CB-CG 4.43Å; V88-F117 HydrophobicContact CG1-CD1 3.99Å; V88-F117 HydrophobicContact CG1-CE1 4.3Å; V88-F117 HydrophobicContact CG2-CD1 3.87Å; V88-F117 HydrophobicContact CG2-CE1 3.73Å; V88-L118 PolarHBondContact O-N 3.49Å; V88-L178 CarbonylContact C-O 3.57Å; V88-L178 VanDerWaalsContact CA-O 3.31Å; V88-L178 WeakPolarHBondContact CA-O 3.36Å; V88-L178 HydrophobicContact CG1-CD2 4.42Å; V88-L178 HydrophobicContact CG1-CG 4.44Å; V88-L178 HydrophobicContact CG2-CB 4.39Å; V88-L178 HydrophobicContact CG2-CD2 4.26Å; V88-L180 HydrophobicContact CG1-CD1 3.53Å; V88-L180 HydrophobicContact CG1-CG 4.09Å; V88-I191 HydrophobicContact CG2-CD1 3.89Å |
| 89 | V | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118 | -179.4 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | P91 L118 V120 V177 L178 F179 L180 | V89-P91 WeakPolarHBondContact O-CD 3.47Å; V89-L118 HydrophobicContact CG2-CD1 4.14Å; V89-V120 HydrophobicContact CG1-CG2 4.12Å; V89-V177 HydrophobicContact CB-CG2 4.49Å; V89-V177 HydrophobicContact CG2-CG2 3.86Å; V89-L178 PolarHBondContact N-O 2.96Å; V89-F179 HydrophobicContact CB-CD1 3.77Å; V89-F179 HydrophobicContact CB-CE1 3.96Å; V89-F179 HydrophobicContact CG1-CD1 3.94Å; V89-F179 HydrophobicContact CG1-CE1 4.03Å; V89-F179 HydrophobicContact CG2-CE1 4.38Å; V89-F179 WeakPolarHBondContact O-CA 3.27Å; V89-L180 PolarHBondContact O-N 2.66Å; V89-L180 VanDerWaalsContact O-N 3.16Å |
| 90 | M | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 97 | -178.5 | -75.6 | 168.3 | -72.2 | 0 | 0 | 110 | V88 L92 Q106 F117 L118 F119 V120 L180 | V88-M90 HydrophobicContact CG1-CE 4.09Å; V88-M90 HydrophobicContact CG1-CG 4.32Å; V88-M90 HydrophobicContact CG1-SD 4.41Å; M90-L92 HydrophobicContact CB-CD2 4.25Å; M90-L92 PolarHBondContact O-N 3.04Å; M90-Q106 HydrophobicContact SD-CB 4.07Å; M90-Q106 PolarHBondContact SD-OE1 3.17Å; M90-F117 HydrophobicContact CE-CB 3.93Å; M90-F117 HydrophobicContact CE-CD1 3.83Å; M90-F117 HydrophobicContact CE-CG 4.37Å; M90-L118 PolarHBondContact N-O 3.44Å; M90-F119 HydrophobicContact CB-CD1 3.98Å; M90-F119 HydrophobicContact CB-CE1 4.38Å; M90-F119 HydrophobicContact CE-CD1 3.72Å; M90-F119 HydrophobicContact CE-CD2 4Å; M90-F119 HydrophobicContact CE-CE1 3.33Å; M90-F119 HydrophobicContact CE-CE2 3.56Å; M90-F119 HydrophobicContact CE-CG 4.1Å; M90-F119 HydrophobicContact CE-CZ 3.25Å; M90-F119 HydrophobicContact SD-CD1 4.01Å; M90-F119 HydrophobicContact SD-CE1 3.46Å; M90-F119 WeakPolarHBondContact SD-CE1 3.48Å; M90-F119 HydrophobicContact SD-CZ 3.87Å; M90-V120 PolarHBondContact O-N 3.04Å; M90-L180 HydrophobicContact CG-CB 3.94Å |
| 91 | P | 97.3 | Very high | 93.9 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 7% | 0.071 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 117.2 | 173.2 | 30.7 | -35.8 | 0 | 0 | 0 | 110 | V89 K159 N162 Q163 | V89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-K159 HydrophobicContact CB-CG 4.07Å; P91-K159 HydrophobicContact CG-CG 3.81Å; P91-N162 HydrophobicContact CB-CB 3.7Å; P91-Q163 HydrophobicContact CB-CG 4.13Å; P91-Q163 HydrophobicContact CG-CG 3.76Å |
| 92 | L | 95 | Very high | 93.9 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | trans | -107.9 | 149 | -177.8 | -56.3 | -170.5 | 0 | 0 | 0 | 112.1 | M90 W103 F119 V120 V121 A128 V132 N162 D182 | M90-L92 HydrophobicContact CB-CD2 4.25Å; M90-L92 PolarHBondContact O-N 3.04Å; L92-W103 HydrophobicContact CD1-CH2 4.38Å; L92-W103 HydrophobicContact CD1-CZ2 3.85Å; L92-W103 HydrophobicContact CD2-CZ2 4.08Å; L92-F119 HydrophobicContact CD1-CB 4.08Å; L92-F119 HydrophobicContact CD1-CD1 3.83Å; L92-F119 HydrophobicContact CD1-CG 4.42Å; L92-F119 HydrophobicContact CD2-CD1 4.36Å; L92-F119 HydrophobicContact CG-CD1 4.31Å; L92-V120 PolarHBondContact N-O 3.15Å; L92-V121 HydrophobicContact CB-CG1 3.92Å; L92-V121 HydrophobicContact CD1-CG1 4.36Å; L92-A128 HydrophobicContact CB-CB 3.88Å; L92-A128 HydrophobicContact CD1-CB 3.9Å; L92-V132 HydrophobicContact CD1-CB 4.28Å; L92-V132 HydrophobicContact CD1-CG1 4.27Å; L92-V132 HydrophobicContact CD1-CG2 4.45Å; L92-N162 PolarHBondContact O-ND2 2.84Å; L92-D182 HydrophobicContact CD2-CB 3.61Å | ||
| 93 | K | 91.3 | Very high | 93.8 | Very high | 48 Ų | 48 | 23.2 Ų | 23.2 | 21% | 0.209 | 11% | 0.113 | C | C | . | . | trans | -153.5 | 122.6 | 167.8 | -175.1 | 84.1 | -168.9 | 104 | 0 | 110.8 | E122 D126 I459 T482 | K93-E122 HydrophobicContact CD-CG 4.48Å; K93-E122 VanDerWaalsContact CE-CD 3.48Å; K93-E122 WeakPolarHBondContact CE-OE1 3.37Å; K93-E122 WeakPolarHBondContact CE-OE2 3.41Å; K93-E122 IonicContact NZ-OE1 3.23Å; K93-E122 PolarHBondContact NZ-OE1 3.28Å; K93-E122 IonicContact NZ-OE2 3.81Å; K93-D126 WeakPolarHBondContact CD-OD2 3.43Å; K93-D126 IonicContact NZ-OD2 3.63Å; K93-D126 PolarHBondContact NZ-OD2 2.9Å; K93-I459 HydrophobicContact CD-CD1 4.42Å; K93-T482 WeakPolarHBondContact O-CG2 3.33Å | ||
| 94 | G | 88.9 | Confident | 93.7 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 7% | 0.072 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 71.6 | -165.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D126 A128 | G94-D126 WeakPolarHBondContact CA-OD1 3.28Å; G94-D126 PolarHBondContact N-OD1 2.94Å; G94-D126 PolarHBondContact N-OD2 2.9Å; G94-A128 WeakPolarHBondContact O-CB 3.41Å; G94-A128 PolarHBondContact O-N 3.05Å |
| 95 | F | 87.3 | Confident | 93.5 | Very high | 35 Ų | 35 | 28.2 Ų | 28.2 | 15% | 0.154 | 13% | 0.13 | C | C | . | . | trans | -148.3 | 132.6 | -179 | -174.9 | -109.3 | 0 | 0 | 0 | 110.8 | N99 L100 W103 P127 A131 L489 | F95-N99 HydrophobicContact CD2-CB 4.14Å; F95-N99 HydrophobicContact CE2-CB 4.04Å; F95-L100 HydrophobicContact CE2-CD1 4.41Å; F95-L100 HydrophobicContact CE2-CD2 4.29Å; F95-L100 HydrophobicContact CE2-CG 3.8Å; F95-L100 HydrophobicContact CZ-CD1 3.85Å; F95-L100 HydrophobicContact CZ-CG 3.73Å; F95-W103 AromaticContact CD2-CH2 3.74Å; F95-W103 HydrophobicContact CD2-CH2 3.74Å; F95-W103 HydrophobicContact CD2-CZ3 4.04Å; F95-W103 HydrophobicContact CE2-CH2 4.06Å; F95-W103 AromaticContact CE2-CZ3 3.89Å; F95-W103 HydrophobicContact CE2-CZ3 3.89Å; F95-P127 HydrophobicContact CB-CB 3.92Å; F95-A131 HydrophobicContact CD2-CB 3.68Å; F95-A131 HydrophobicContact CE2-CB 3.65Å; F95-A131 HydrophobicContact CG-CB 4.38Å; F95-A131 HydrophobicContact CZ-CB 4.33Å; F95-L489 HydrophobicContact CD1-CD1 3.45Å; F95-L489 VanDerWaalsContact CD1-CD1 3.45Å; F95-L489 HydrophobicContact CD1-CD2 4.28Å; F95-L489 HydrophobicContact CE1-CD1 3.65Å; F95-L489 HydrophobicContact CE1-CD2 3.71Å; F95-L489 HydrophobicContact CE1-CG 4.31Å | ||
| 96 | G | 84.5 | Confident | 93.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | trans | -129 | 170.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H98 N99 | G96-H98 VanDerWaalsContact C-N 3.28Å; G96-H98 PolarHBondContact O-N 2.65Å; G96-N99 VanDerWaalsContact CA-OD1 3.32Å; G96-N99 WeakPolarHBondContact CA-OD1 3.29Å; G96-N99 PolarHBondContact N-OD1 3.5Å; G96-N99 PolarHBondContact O-N 2.87Å | ||
| 97 | E | 86 | Confident | 93.2 | Very high | 70 Ų | 70 | 26.2 Ų | 26.2 | 33% | 0.327 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -37.5 | -171.5 | -173.5 | 177.3 | 169.4 | 0 | 0 | 114.5 | S303 G486 | E97-S303 PolarHBondContact OE2-N 3.25Å; E97-S303 PolarHBondContact OE2-OG 2.89Å; E97-G486 WeakPolarHBondContact OE2-CA 3.48Å |
| 98 | H | 89.6 | Confident | 92.9 | Very high | 50 Ų | 50 | 28.9 Ų | 28.9 | 23% | 0.231 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -5.6 | -172.2 | -55.6 | -54.2 | 0 | 0 | 0 | 114.6 | G96 L100 H101 N102 P300 | G96-H98 VanDerWaalsContact C-N 3.28Å; G96-H98 PolarHBondContact O-N 2.65Å; H98-L100 PolarHBondContact O-N 3.01Å; H98-H101 PolarHBondContact O-N 3.44Å; H98-H101 VanDerWaalsContact O-N 3.11Å; H98-N102 VanDerWaalsContact O-CG 3.26Å; H98-N102 PolarHBondContact O-N 3.01Å; H98-N102 PolarHBondContact O-ND2 2.92Å; H98-N102 PolarHBondContact O-OD1 2.93Å; H98-P300 HydrophobicContact CB-CG 3.77Å; H98-P300 PolarHBondContact CD2-O 3.39Å; H98-P300 VanDerWaalsContact CD2-O 3.25Å |
| 99 | N | 91.5 | Very high | 92.6 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | -169.9 | -75.3 | 130.8 | 0 | 0 | 0 | 113.6 | F95 G96 H101 N102 W103 D182 | F95-N99 HydrophobicContact CD2-CB 4.14Å; F95-N99 HydrophobicContact CE2-CB 4.04Å; G96-N99 VanDerWaalsContact CA-OD1 3.32Å; G96-N99 WeakPolarHBondContact CA-OD1 3.29Å; G96-N99 PolarHBondContact N-OD1 3.5Å; G96-N99 PolarHBondContact O-N 2.87Å; N99-H101 VanDerWaalsContact C-N 3.27Å; N99-H101 PolarHBondContact O-N 2.9Å; N99-N102 PolarHBondContact O-N 3.3Å; N99-W103 HydrophobicContact CB-CD2 4.17Å; N99-W103 HydrophobicContact CB-CE3 4.4Å; N99-W103 HydrophobicContact CB-CH2 3.97Å; N99-W103 HydrophobicContact CB-CZ2 3.69Å; N99-W103 HydrophobicContact CB-CZ3 4.3Å; N99-W103 WeakPolarHBondContact O-CB 3.31Å; N99-W103 PolarHBondContact O-N 2.75Å; N99-D182 VanDerWaalsContact ND2-CG 3.33Å; N99-D182 PolarHBondContact ND2-O 2.71Å; N99-D182 PolarHBondContact ND2-OD2 3.09Å |
| 100 | L | 91.6 | Very high | 92.4 | Very high | 79 Ų | 79 | 34.5 Ų | 34.5 | 41% | 0.414 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.3 | -39.6 | 179.8 | -76.3 | 173.3 | 0 | 0 | 0 | 112.7 | F95 H98 W103 R104 | F95-L100 HydrophobicContact CE2-CD1 4.41Å; F95-L100 HydrophobicContact CE2-CD2 4.29Å; F95-L100 HydrophobicContact CE2-CG 3.8Å; F95-L100 HydrophobicContact CZ-CD1 3.85Å; F95-L100 HydrophobicContact CZ-CG 3.73Å; H98-L100 PolarHBondContact O-N 3.01Å; L100-W103 HydrophobicContact CD2-CE3 4.1Å; L100-W103 HydrophobicContact CD2-CZ3 4.22Å; L100-R104 WeakPolarHBondContact O-CB 3.26Å; L100-R104 PolarHBondContact O-N 3.16Å; L100-R104 VanDerWaalsContact O-N 3.1Å |
| 101 | H | 91.3 | Very high | 92.4 | Very high | 79 Ų | 79 | 35.2 Ų | 35.2 | 37% | 0.366 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -72.4 | -39.6 | 179.1 | -178.3 | 55.1 | 0 | 0 | 0 | 111.2 | H98 N99 R104 S105 R185 | H98-H101 PolarHBondContact O-N 3.44Å; H98-H101 VanDerWaalsContact O-N 3.11Å; N99-H101 VanDerWaalsContact C-N 3.27Å; N99-H101 PolarHBondContact O-N 2.9Å; H101-R104 PolarHBondContact O-N 2.8Å; H101-S105 PolarHBondContact O-N 2.94Å; H101-S105 VanDerWaalsContact O-N 3.07Å; H101-R185 VanDerWaalsContact CD2-CD 3.41Å; H101-R185 WeakPolarHBondContact CD2-CD 3.13Å; H101-R185 WeakPolarHBondContact NE2-CD 3.11Å |
| 102 | N | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -52.4 | 175.5 | -63.6 | -12 | 0 | 0 | 0 | 111.3 | H98 N99 R104 S105 Q106 D182 D183 V184 R185 | H98-N102 VanDerWaalsContact O-CG 3.26Å; H98-N102 PolarHBondContact O-N 3.01Å; H98-N102 PolarHBondContact O-ND2 2.92Å; H98-N102 PolarHBondContact O-OD1 2.93Å; N99-N102 PolarHBondContact O-N 3.3Å; N102-R104 VanDerWaalsContact C-N 3.27Å; N102-R104 PolarHBondContact O-N 2.87Å; N102-S105 WeakPolarHBondContact O-CA 3.38Å; N102-S105 WeakPolarHBondContact O-CB 3.31Å; N102-S105 PolarHBondContact O-N 3.45Å; N102-S105 PolarHBondContact O-OG 2.86Å; N102-Q106 WeakPolarHBondContact O-CG 3.28Å; N102-Q106 PolarHBondContact O-N 3.32Å; N102-D182 WeakPolarHBondContact CB-O 3.38Å; N102-D182 PolarHBondContact ND2-O 3.21Å; N102-D183 VanDerWaalsContact ND2-CA 3.26Å; N102-D183 WeakPolarHBondContact ND2-CA 3.39Å; N102-D183 PolarHBondContact ND2-O 2.77Å; N102-V184 WeakPolarHBondContact CB-O 3.02Å; N102-R185 WeakPolarHBondContact OD1-CG 3.36Å |
| 103 | W | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -39.9 | 177.4 | -62.8 | -23.6 | 0 | 0 | 0 | 112.2 | L92 F95 N99 L100 S105 Q106 I107 F119 A128 A131 V132 L135 | L92-W103 HydrophobicContact CD1-CH2 4.38Å; L92-W103 HydrophobicContact CD1-CZ2 3.85Å; L92-W103 HydrophobicContact CD2-CZ2 4.08Å; F95-W103 AromaticContact CD2-CH2 3.74Å; F95-W103 HydrophobicContact CD2-CH2 3.74Å; F95-W103 HydrophobicContact CD2-CZ3 4.04Å; F95-W103 HydrophobicContact CE2-CH2 4.06Å; F95-W103 AromaticContact CE2-CZ3 3.89Å; F95-W103 HydrophobicContact CE2-CZ3 3.89Å; N99-W103 HydrophobicContact CB-CD2 4.17Å; N99-W103 HydrophobicContact CB-CE3 4.4Å; N99-W103 HydrophobicContact CB-CH2 3.97Å; N99-W103 HydrophobicContact CB-CZ2 3.69Å; N99-W103 HydrophobicContact CB-CZ3 4.3Å; N99-W103 WeakPolarHBondContact O-CB 3.31Å; N99-W103 PolarHBondContact O-N 2.75Å; L100-W103 HydrophobicContact CD2-CE3 4.1Å; L100-W103 HydrophobicContact CD2-CZ3 4.22Å; W103-S105 PolarHBondContact O-N 3.48Å; W103-Q106 PolarHBondContact O-N 2.86Å; W103-I107 WeakPolarHBondContact O-CG1 3.37Å; W103-I107 PolarHBondContact O-N 3.5Å; W103-F119 HydrophobicContact CB-CE1 4.39Å; W103-F119 HydrophobicContact CG-CE1 4.2Å; W103-A128 HydrophobicContact CH2-CB 4.07Å; W103-A128 HydrophobicContact CZ2-CB 4.35Å; W103-A131 HydrophobicContact CH2-CB 4.22Å; W103-A131 HydrophobicContact CZ3-CB 3.79Å; W103-V132 HydrophobicContact CE3-CB 4.29Å; W103-V132 HydrophobicContact CE3-CG2 4.43Å; W103-V132 HydrophobicContact CZ3-CB 4.1Å; W103-L135 HydrophobicContact CB-CD2 3.51Å; W103-L135 HydrophobicContact CE3-CD2 4.38Å |
| 104 | R | 94.3 | Very high | 92.6 | Very high | 135 Ų | 135 | 37.5 Ų | 37.5 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.1 | -48.8 | 172.8 | -174.6 | 178.4 | 179.9 | 175 | -0 | 111 | L100 H101 N102 Q106 I107 T108 Y139 | L100-R104 WeakPolarHBondContact O-CB 3.26Å; L100-R104 PolarHBondContact O-N 3.16Å; L100-R104 VanDerWaalsContact O-N 3.1Å; H101-R104 PolarHBondContact O-N 2.8Å; N102-R104 VanDerWaalsContact C-N 3.27Å; N102-R104 PolarHBondContact O-N 2.87Å; R104-Q106 PolarHBondContact O-N 3.12Å; R104-I107 WeakPolarHBondContact O-CG1 3.41Å; R104-I107 PolarHBondContact O-N 2.87Å; R104-T108 HydrophobicContact CG-CG2 4.29Å; R104-T108 WeakPolarHBondContact O-CG2 3.49Å; R104-T108 PolarHBondContact O-N 2.93Å; R104-T108 VanDerWaalsContact O-N 3.09Å; R104-T108 PolarHBondContact O-OG1 3.43Å; R104-Y139 PolarHBondContact NE-OH 2.75Å |
| 105 | S | 94.8 | Very high | 93 | Very high | 19 Ų | 19 | 38.5 Ų | 38.5 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -27.8 | 178.1 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | H101 N102 W103 R185 L186 | H101-S105 PolarHBondContact O-N 2.94Å; H101-S105 VanDerWaalsContact O-N 3.07Å; N102-S105 WeakPolarHBondContact O-CA 3.38Å; N102-S105 WeakPolarHBondContact O-CB 3.31Å; N102-S105 PolarHBondContact O-N 3.45Å; N102-S105 PolarHBondContact O-OG 2.86Å; W103-S105 PolarHBondContact O-N 3.48Å; S105-R185 WeakPolarHBondContact OG-CA 3.4Å; S105-L186 PolarHBondContact OG-N 2.9Å; S105-L186 VanDerWaalsContact OG-N 3.11Å |
| 106 | Q | 95.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.1 | -38.1 | 179.5 | -71.3 | 168.3 | -21.9 | 0 | 0 | 112.2 | M90 N102 W103 R104 F117 L180 D181 V184 L186 | M90-Q106 HydrophobicContact SD-CB 4.07Å; M90-Q106 PolarHBondContact SD-OE1 3.17Å; N102-Q106 WeakPolarHBondContact O-CG 3.28Å; N102-Q106 PolarHBondContact O-N 3.32Å; W103-Q106 PolarHBondContact O-N 2.86Å; R104-Q106 PolarHBondContact O-N 3.12Å; Q106-F117 WeakPolarHBondContact O-CE1 3.2Å; Q106-L180 HydrophobicContact CB-CD1 4.44Å; Q106-L180 HydrophobicContact CG-CD1 4.13Å; Q106-D181 PolarHBondContact NE2-O 3.27Å; Q106-V184 PolarHBondContact NE2-O 3.49Å; Q106-L186 HydrophobicContact CG-CD1 3.87Å; Q106-L186 HydrophobicContact CG-CD2 4.29Å; Q106-L186 HydrophobicContact CG-CG 4.44Å |
| 107 | I | 95 | Very high | 94.2 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -84.7 | -23.2 | 180 | 67.2 | 178.8 | 0 | 0 | 0 | 113.6 | W103 R104 S109 F117 F119 L135 L136 Y139 V143 | W103-I107 WeakPolarHBondContact O-CG1 3.37Å; W103-I107 PolarHBondContact O-N 3.5Å; R104-I107 WeakPolarHBondContact O-CG1 3.41Å; R104-I107 PolarHBondContact O-N 2.87Å; I107-S109 VanDerWaalsContact C-N 3.28Å; I107-S109 PolarHBondContact O-N 3.29Å; I107-S109 VanDerWaalsContact O-N 3.15Å; I107-F117 HydrophobicContact CG2-CD1 4.11Å; I107-F117 HydrophobicContact CG2-CE1 4.46Å; I107-F117 HydrophobicContact CG2-CG 4.16Å; I107-F119 HydrophobicContact CG2-CE2 3.92Å; I107-F119 HydrophobicContact CG2-CZ 3.57Å; I107-L135 HydrophobicContact CD1-CD2 4.26Å; I107-L135 HydrophobicContact CD1-CG 4.27Å; I107-L136 HydrophobicContact CD1-CD2 4.38Å; I107-Y139 HydrophobicContact CD1-CD1 4.46Å; I107-Y139 HydrophobicContact CD1-CD2 3.79Å; I107-Y139 HydrophobicContact CD1-CE2 4.17Å; I107-Y139 HydrophobicContact CD1-CG 3.97Å; I107-V143 HydrophobicContact CB-CG1 4.32Å |
| 108 | T | 92.1 | Very high | 94.8 | Very high | 57 Ų | 57 | 33.8 Ų | 33.8 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | trans | -88.9 | 57.6 | 178.5 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | R104 Y139 | R104-T108 HydrophobicContact CG-CG2 4.29Å; R104-T108 WeakPolarHBondContact O-CG2 3.49Å; R104-T108 PolarHBondContact O-N 2.93Å; R104-T108 VanDerWaalsContact O-N 3.09Å; R104-T108 PolarHBondContact O-OG1 3.43Å; T108-Y139 HydrophobicContact CG2-CE1 4.11Å | ||
| 109 | S | 93.7 | Very high | 95.2 | Very high | 25 Ų | 25 | 31.4 Ų | 31.4 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | trans | -82.7 | 147 | 174.1 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | I107 Y111 P188 | I107-S109 VanDerWaalsContact C-N 3.28Å; I107-S109 PolarHBondContact O-N 3.29Å; I107-S109 VanDerWaalsContact O-N 3.15Å; S109-Y111 PolarHBondContact OG-N 3.42Å; S109-P188 PolarHBondContact OG-O 2.74Å; S109-P188 VanDerWaalsContact OG-O 3.09Å | ||
| 110 | L | 95 | Very high | 95.5 | Very high | 92 Ų | 92 | 31.1 Ų | 31.1 | 48% | 0.482 | 17% | 0.172 | S | C | . | . | trans | -100.5 | 31.7 | 173.2 | -65.9 | 178.8 | 0 | 0 | 0 | 112.2 | L68 P188 | L68-L110 HydrophobicContact CD1-CB 4.14Å; L68-L110 HydrophobicContact CD1-CD1 3.78Å; L68-L110 HydrophobicContact CD2-CB 4.03Å; L68-L110 HydrophobicContact CD2-CD1 4.09Å; L110-P188 HydrophobicContact CB-CB 4.17Å; L110-P188 HydrophobicContact CD1-CB 3.75Å; L110-P188 HydrophobicContact CG-CB 3.77Å; L110-P188 PolarHBondContact N-O 3.36Å | ||
| 111 | Y | 96.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 27.3 Ų | 27.3 | 6% | 0.063 | 15% | 0.152 | C | C | . | . | trans | -81 | 128 | 172 | 176.9 | -106 | 0 | 0 | 0 | 110.2 | L83 P84 V86 S109 G113 L115 I191 T195 | L83-Y111 HydrophobicContact CB-CE2 4.17Å; L83-Y111 HydrophobicContact CD1-CD2 4.11Å; L83-Y111 HydrophobicContact CD1-CE2 3.77Å; L83-Y111 HydrophobicContact CD2-CE2 4.29Å; L83-Y111 HydrophobicContact CG-CE2 4.31Å; P84-Y111 VanDerWaalsContact CD-OH 3.28Å; P84-Y111 WeakPolarHBondContact CD-OH 3.37Å; P84-Y111 PolarHBondContact O-OH 3.36Å; V86-Y111 HydrophobicContact CG2-CE1 4.12Å; S109-Y111 PolarHBondContact OG-N 3.42Å; Y111-G113 WeakPolarHBondContact CD1-O 3.15Å; Y111-L115 HydrophobicContact CD1-CD1 4.1Å; Y111-L115 HydrophobicContact CD1-CD2 3.43Å; Y111-L115 VanDerWaalsContact CD1-CD2 3.43Å; Y111-L115 HydrophobicContact CD1-CG 3.68Å; Y111-L115 HydrophobicContact CE1-CD2 3.81Å; Y111-L115 HydrophobicContact CE1-CG 4.36Å; Y111-L115 HydrophobicContact CG-CD2 4.37Å; Y111-I191 HydrophobicContact CD1-CG2 4.21Å; Y111-I191 HydrophobicContact CD2-CG2 4.19Å; Y111-I191 HydrophobicContact CE2-CG2 4.5Å; Y111-I191 HydrophobicContact CG-CB 4.37Å; Y111-I191 HydrophobicContact CG-CG2 4Å; Y111-T195 HydrophobicContact CE2-CG2 4.12Å | ||
| 112 | G | 95.1 | Very high | 96 | Very high | 43 Ų | 43 | 24.8 Ų | 24.8 | 44% | 0.443 | 14% | 0.14 | S | C | . | . | trans | -88.7 | -1.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q80 | Q80-G112 VanDerWaalsContact OE1-N 3.09Š| ||
| 113 | G | 96.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 26 Ų | 26 | 9% | 0.093 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -83.5 | 170 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y111 L115 | Y111-G113 WeakPolarHBondContact CD1-O 3.15Å; G113-L115 PolarHBondContact O-N 2.94Å |
| 114 | P | 97.3 | Very high | 96.1 | Very high | 57 Ų | 57 | 28.7 Ų | 28.7 | 37% | 0.37 | 17% | 0.165 | S | C | . | . | trans | -64.2 | 130.5 | 179.2 | -18.7 | 31.2 | 0 | 0 | 0 | 111.9 | R85 V86 | R85-P114 VanDerWaalsContact CA-O 3.32Å; R85-P114 WeakPolarHBondContact CA-O 3.47Å; R85-P114 HydrophobicContact CB-CB 4.06Å; R85-P114 HydrophobicContact CB-CG 4.4Å; R85-P114 HydrophobicContact CG-CB 4.09Å; V86-P114 PolarHBondContact N-O 2.95Å | ||
| 115 | L | 97.8 | Very high | 96 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 15% | 0.147 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.5 | 176.9 | -67.3 | -178.6 | 0 | 0 | 0 | 110.7 | V86 Y111 G113 F117 E144 I191 | V86-L115 HydrophobicContact CB-CD2 3.82Å; V86-L115 WeakPolarHBondContact O-CA 3.03Å; Y111-L115 HydrophobicContact CD1-CD1 4.1Å; Y111-L115 HydrophobicContact CD1-CD2 3.43Å; Y111-L115 VanDerWaalsContact CD1-CD2 3.43Å; Y111-L115 HydrophobicContact CD1-CG 3.68Å; Y111-L115 HydrophobicContact CE1-CD2 3.81Å; Y111-L115 HydrophobicContact CE1-CG 4.36Å; Y111-L115 HydrophobicContact CG-CD2 4.37Å; G113-L115 PolarHBondContact O-N 2.94Å; L115-F117 HydrophobicContact CB-CE2 3.94Å; L115-F117 HydrophobicContact CB-CZ 4.34Å; L115-F117 HydrophobicContact CD1-CE2 4.12Å; L115-F117 HydrophobicContact CD1-CZ 3.84Å; L115-E144 WeakPolarHBondContact O-CB 2.88Å; L115-I191 HydrophobicContact CD1-CD1 4.02Å; L115-I191 HydrophobicContact CD2-CD1 4.01Å; L115-I191 HydrophobicContact CD2-CG2 4.09Å |
| 116 | E | 97.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.5 | 157.5 | 63.6 | 163.9 | 172.4 | 0 | 0 | 110.8 | V86 S87 V88 L118 E144 K146 M170 H171 | V86-E116 PolarHBondContact O-N 2.71Å; S87-E116 WeakPolarHBondContact CB-OE1 3.02Å; S87-E116 WeakPolarHBondContact OG-CG 2.84Å; S87-E116 PolarHBondContact OG-OE1 3.09Å; V88-E116 PolarHBondContact N-O 3.39Å; E116-L118 HydrophobicContact CG-CD1 3.99Å; E116-E144 CarbonylContact C-O 3.47Å; E116-E144 VanDerWaalsContact CA-O 3.25Å; E116-E144 WeakPolarHBondContact CA-O 3.38Å; E116-E144 HydrophobicContact CB-CB 4.42Å; E116-E144 HydrophobicContact CB-CG 3.92Å; E116-K146 IonicContact OE2-NZ 3.88Å; E116-K146 PolarHBondContact OE2-NZ 3.49Å; E116-M170 VanDerWaalsContact OE1-CA 3.3Å; E116-M170 WeakPolarHBondContact OE1-CA 3.17Å; E116-H171 WeakPolarHBondContact OE1-CB 3.24Å; E116-H171 PolarHBondContact OE1-N 3.15Å |
| 117 | F | 98.2 | Very high | 95.7 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120 | 179.4 | -60.7 | -91.3 | 0 | 0 | 0 | 110.4 | V88 M90 Q106 I107 L115 F119 V143 E144 A145 K146 I191 | V88-F117 HydrophobicContact CB-CD1 3.62Å; V88-F117 HydrophobicContact CB-CE1 4Å; V88-F117 HydrophobicContact CB-CG 4.43Å; V88-F117 HydrophobicContact CG1-CD1 3.99Å; V88-F117 HydrophobicContact CG1-CE1 4.3Å; V88-F117 HydrophobicContact CG2-CD1 3.87Å; V88-F117 HydrophobicContact CG2-CE1 3.73Å; M90-F117 HydrophobicContact CE-CB 3.93Å; M90-F117 HydrophobicContact CE-CD1 3.83Å; M90-F117 HydrophobicContact CE-CG 4.37Å; Q106-F117 WeakPolarHBondContact O-CE1 3.2Å; I107-F117 HydrophobicContact CG2-CD1 4.11Å; I107-F117 HydrophobicContact CG2-CE1 4.46Å; I107-F117 HydrophobicContact CG2-CG 4.16Å; L115-F117 HydrophobicContact CB-CE2 3.94Å; L115-F117 HydrophobicContact CB-CZ 4.34Å; L115-F117 HydrophobicContact CD1-CE2 4.12Å; L115-F117 HydrophobicContact CD1-CZ 3.84Å; F117-F119 HydrophobicContact CB-CE2 4Å; F117-V143 HydrophobicContact CD2-CG1 3.31Å; F117-V143 HydrophobicContact CE2-CG1 3.5Å; F117-V143 VanDerWaalsContact CE2-CG1 3.5Å; F117-V143 HydrophobicContact CG-CG1 4.34Å; F117-E144 PolarHBondContact N-O 3.4Å; F117-A145 HydrophobicContact CB-CB 3.96Å; F117-A145 CarbonylContact O-C 3.5Å; F117-A145 VanDerWaalsContact O-CA 3.32Å; F117-A145 WeakPolarHBondContact O-CA 3.49Å; F117-K146 PolarHBondContact O-N 2.83Å; F117-I191 HydrophobicContact CE1-CD1 4.45Å |
| 118 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 104.4 | 178.7 | -56.3 | 99.9 | 0 | 0 | 0 | 109.4 | V88 V89 M90 E116 V120 V148 K169 | V88-L118 PolarHBondContact O-N 3.49Å; V89-L118 HydrophobicContact CG2-CD1 4.14Å; M90-L118 PolarHBondContact N-O 3.44Å; E116-L118 HydrophobicContact CG-CD1 3.99Å; L118-V120 HydrophobicContact CB-CG2 4.34Å; L118-V148 HydrophobicContact CD2-CG2 4.27Å; L118-K169 HydrophobicContact CD2-CB 3.87Å |
| 119 | F | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113.3 | 172.7 | -67.3 | -88.1 | 0 | 0 | 0 | 109 | M90 L92 W103 I107 F117 V132 L136 A145 K146 V147 V148 | M90-F119 HydrophobicContact CB-CD1 3.98Å; M90-F119 HydrophobicContact CB-CE1 4.38Å; M90-F119 HydrophobicContact CE-CD1 3.72Å; M90-F119 HydrophobicContact CE-CD2 4Å; M90-F119 HydrophobicContact CE-CE1 3.33Å; M90-F119 HydrophobicContact CE-CE2 3.56Å; M90-F119 HydrophobicContact CE-CG 4.1Å; M90-F119 HydrophobicContact CE-CZ 3.25Å; M90-F119 HydrophobicContact SD-CD1 4.01Å; M90-F119 HydrophobicContact SD-CE1 3.46Å; M90-F119 WeakPolarHBondContact SD-CE1 3.48Å; M90-F119 HydrophobicContact SD-CZ 3.87Å; L92-F119 HydrophobicContact CD1-CB 4.08Å; L92-F119 HydrophobicContact CD1-CD1 3.83Å; L92-F119 HydrophobicContact CD1-CG 4.42Å; L92-F119 HydrophobicContact CD2-CD1 4.36Å; L92-F119 HydrophobicContact CG-CD1 4.31Å; W103-F119 HydrophobicContact CB-CE1 4.39Å; W103-F119 HydrophobicContact CG-CE1 4.2Å; I107-F119 HydrophobicContact CG2-CE2 3.92Å; I107-F119 HydrophobicContact CG2-CZ 3.57Å; F117-F119 HydrophobicContact CB-CE2 4Å; F119-V132 HydrophobicContact CB-CG1 4.41Å; F119-V132 HydrophobicContact CB-CG2 4.07Å; F119-V132 HydrophobicContact CD1-CG2 3.56Å; F119-V132 HydrophobicContact CD2-CG2 3.91Å; F119-V132 HydrophobicContact CE1-CG2 3.77Å; F119-V132 HydrophobicContact CE2-CG2 4.16Å; F119-V132 HydrophobicContact CG-CG2 3.57Å; F119-V132 HydrophobicContact CZ-CG2 4.05Å; F119-L136 HydrophobicContact CD2-CD1 3.94Å; F119-L136 HydrophobicContact CD2-CD2 4.39Å; F119-L136 HydrophobicContact CE2-CD1 4.19Å; F119-L136 HydrophobicContact CE2-CD2 3.79Å; F119-L136 HydrophobicContact CE2-CG 4.42Å; F119-L136 HydrophobicContact CZ-CD2 4.44Å; F119-A145 HydrophobicContact CE2-CB 4.44Å; F119-K146 PolarHBondContact N-O 3.4Å; F119-V147 CarbonylContact O-C 3.51Å; F119-V147 WeakPolarHBondContact O-CA 3.32Å; F119-V148 PolarHBondContact O-N 3.33Å |
| 120 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.2 | -169 | -165.9 | 0 | 0 | 0 | 0 | 111 | V89 M90 L92 L118 V148 A150 N162 | V89-V120 HydrophobicContact CG1-CG2 4.12Å; M90-V120 PolarHBondContact O-N 3.04Å; L92-V120 PolarHBondContact N-O 3.15Å; L118-V120 HydrophobicContact CB-CG2 4.34Å; V120-V148 WeakPolarHBondContact CA-O 3.35Å; V120-V148 HydrophobicContact CG1-CB 4.33Å; V120-V148 HydrophobicContact CG1-CG1 4.38Å; V120-V148 HydrophobicContact CG2-CB 4.29Å; V120-A150 HydrophobicContact CG1-CB 3.57Å; V120-N162 HydrophobicContact CB-CB 4.01Å; V120-N162 HydrophobicContact CG1-CB 3.73Å; V120-N162 WeakPolarHBondContact CG1-O 3.38Å; V120-N162 PolarHBondContact O-ND2 2.92Å |
| 121 | V | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 158.8 | 179.1 | -66.6 | 0 | 0 | 0 | 0 | 111.2 | L92 S123 D126 A128 Y129 V147 V148 V149 A150 | L92-V121 HydrophobicContact CB-CG1 3.92Å; L92-V121 HydrophobicContact CD1-CG1 4.36Å; V121-S123 WeakPolarHBondContact CG2-O 3.18Å; V121-D126 HydrophobicContact CB-CB 4.44Å; V121-A128 HydrophobicContact CG1-CB 4.18Å; V121-Y129 HydrophobicContact CG2-CD2 3.85Å; V121-V147 HydrophobicContact CG2-CG1 4.23Å; V121-V148 PolarHBondContact N-O 2.91Å; V121-V149 HydrophobicContact CG2-CG2 4.1Å; V121-V149 WeakPolarHBondContact O-CA 3.4Å; V121-A150 PolarHBondContact O-N 3.4Å |
| 122 | E | 95.4 | Very high | 95.6 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 12% | 0.117 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -73.5 | -32.5 | 176.5 | 72.4 | -179.2 | -170 | 0 | 0 | 113 | K93 G151 L152 Q158 | K93-E122 HydrophobicContact CD-CG 4.48Å; K93-E122 VanDerWaalsContact CE-CD 3.48Å; K93-E122 WeakPolarHBondContact CE-OE1 3.37Å; K93-E122 WeakPolarHBondContact CE-OE2 3.41Å; K93-E122 IonicContact NZ-OE1 3.23Å; K93-E122 PolarHBondContact NZ-OE1 3.28Å; K93-E122 IonicContact NZ-OE2 3.81Å; E122-G151 CarbonylContact O-C 3.5Å; E122-G151 WeakPolarHBondContact O-CA 3.45Å; E122-G151 PolarHBondContact O-N 3.08Å; E122-G151 VanDerWaalsContact O-N 3.14Å; E122-L152 HydrophobicContact CB-CD2 4.19Å; E122-L152 HydrophobicContact CG-CD2 4.31Å; E122-Q158 HydrophobicContact CB-CG 4.1Å |
| 123 | S | 95.7 | Very high | 95.6 | Very high | 26 Ų | 26 | 30 Ų | 30 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | trans | -160 | 169.3 | -179.5 | 85.7 | 0 | 0 | 0 | 0 | 112.1 | V121 E125 D126 | V121-S123 WeakPolarHBondContact CG2-O 3.18Å; S123-E125 WeakPolarHBondContact CB-OE2 3.48Å; S123-E125 PolarHBondContact O-N 3.27Å; S123-E125 PolarHBondContact OG-N 3.29Å; S123-E125 PolarHBondContact OG-OE2 2.95Å; S123-D126 PolarHBondContact O-N 2.93Å | ||
| 124 | T | 96.3 | Very high | 95.5 | Very high | 57 Ų | 57 | 37 Ų | 37 | 35% | 0.35 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -19 | 175.3 | 40 | 0 | 0 | 0 | 0 | 113.5 | D126 Y129 V149 | T124-D126 VanDerWaalsContact C-N 3.31Å; T124-Y129 HydrophobicContact CG2-CD1 4.4Å; T124-Y129 HydrophobicContact CG2-CD2 4.39Å; T124-Y129 HydrophobicContact CG2-CE1 4.03Å; T124-Y129 HydrophobicContact CG2-CE2 4.02Å; T124-V149 HydrophobicContact CG2-CG2 4.14Å |
| 125 | E | 92.4 | Very high | 95.3 | Very high | 140 Ų | 140 | 35.1 Ų | 35.1 | 65% | 0.654 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.7 | 177.9 | -57.7 | 68.4 | -141.7 | 0 | 0 | 112.5 | S123 | S123-E125 WeakPolarHBondContact CB-OE2 3.48Å; S123-E125 PolarHBondContact O-N 3.27Å; S123-E125 PolarHBondContact OG-N 3.29Å; S123-E125 PolarHBondContact OG-OE2 2.95Å |
| 126 | D | 91.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.011 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -65.2 | 128.8 | 175.1 | -166.5 | -63.8 | 0 | 0 | 0 | 110.1 | K93 G94 V121 S123 T124 A128 Y129 | K93-D126 WeakPolarHBondContact CD-OD2 3.43Å; K93-D126 IonicContact NZ-OD2 3.63Å; K93-D126 PolarHBondContact NZ-OD2 2.9Å; G94-D126 WeakPolarHBondContact CA-OD1 3.28Å; G94-D126 PolarHBondContact N-OD1 2.94Å; G94-D126 PolarHBondContact N-OD2 2.9Å; V121-D126 HydrophobicContact CB-CB 4.44Å; S123-D126 PolarHBondContact O-N 2.93Å; T124-D126 VanDerWaalsContact C-N 3.31Å; D126-A128 PolarHBondContact O-N 3.23Å; D126-A128 WeakPolarHBondContact OD1-CB 3.37Å; D126-A128 PolarHBondContact OD1-N 2.82Å; D126-Y129 VanDerWaalsContact O-CB 3.29Å; D126-Y129 WeakPolarHBondContact O-CB 3.34Å; D126-Y129 PolarHBondContact O-N 3.15Å |
| 127 | P | 91.4 | Very high | 95 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -52.2 | -29.5 | 177.9 | -28.8 | 35.4 | 0 | 0 | 0 | 115.1 | F95 Y129 | F95-P127 HydrophobicContact CB-CB 3.92Å; P127-Y129 VanDerWaalsContact C-N 3.3Å; P127-Y129 PolarHBondContact O-N 2.7Å |
| 128 | A | 93.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -36.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L92 G94 W103 V121 D126 H130 A131 V132 | L92-A128 HydrophobicContact CB-CB 3.88Å; L92-A128 HydrophobicContact CD1-CB 3.9Å; G94-A128 WeakPolarHBondContact O-CB 3.41Å; G94-A128 PolarHBondContact O-N 3.05Å; W103-A128 HydrophobicContact CH2-CB 4.07Å; W103-A128 HydrophobicContact CZ2-CB 4.35Å; V121-A128 HydrophobicContact CG1-CB 4.18Å; D126-A128 PolarHBondContact O-N 3.23Å; D126-A128 WeakPolarHBondContact OD1-CB 3.37Å; D126-A128 PolarHBondContact OD1-N 2.82Å; A128-H130 PolarHBondContact O-N 2.86Å; A128-A131 PolarHBondContact O-N 3.45Å; A128-V132 WeakPolarHBondContact O-CB 3.45Å; A128-V132 VanDerWaalsContact O-CG1 3.3Å; A128-V132 WeakPolarHBondContact O-CG1 3.39Å; A128-V132 PolarHBondContact O-N 3.19Å |
| 129 | Y | 95.1 | Very high | 94.4 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.4 | -51 | -173.6 | 179.5 | -95.5 | 0 | 0 | 0 | 112 | V121 T124 D126 P127 V132 S133 V147 V149 | V121-Y129 HydrophobicContact CG2-CD2 3.85Å; T124-Y129 HydrophobicContact CG2-CD1 4.4Å; T124-Y129 HydrophobicContact CG2-CD2 4.39Å; T124-Y129 HydrophobicContact CG2-CE1 4.03Å; T124-Y129 HydrophobicContact CG2-CE2 4.02Å; D126-Y129 VanDerWaalsContact O-CB 3.29Å; D126-Y129 WeakPolarHBondContact O-CB 3.34Å; D126-Y129 PolarHBondContact O-N 3.15Å; P127-Y129 VanDerWaalsContact C-N 3.3Å; P127-Y129 PolarHBondContact O-N 2.7Å; Y129-V132 WeakPolarHBondContact O-CG1 3.45Å; Y129-S133 VanDerWaalsContact O-CB 3.24Å; Y129-S133 WeakPolarHBondContact O-CB 3.46Å; Y129-S133 PolarHBondContact O-N 3.05Å; Y129-S133 PolarHBondContact O-OG 3.49Å; Y129-V147 HydrophobicContact CD2-CB 4.48Å; Y129-V147 HydrophobicContact CD2-CG1 3.52Å; Y129-V147 HydrophobicContact CE2-CB 4.23Å; Y129-V147 HydrophobicContact CE2-CG1 3.69Å; Y129-V149 HydrophobicContact CE2-CG2 4.24Å |
| 130 | H | 93.5 | Very high | 93.8 | Very high | 115 Ų | 115 | 53.8 Ų | 53.8 | 53% | 0.532 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.6 | -35 | 179.5 | -66 | -59.6 | 0 | 0 | 0 | 112.7 | A128 R134 | A128-H130 PolarHBondContact O-N 2.86Å; H130-R134 WeakPolarHBondContact O-CG 3.4Å; H130-R134 PolarHBondContact O-N 3.39Å |
| 131 | A | 92.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -47.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F95 W103 A128 L135 | F95-A131 HydrophobicContact CD2-CB 3.68Å; F95-A131 HydrophobicContact CE2-CB 3.65Å; F95-A131 HydrophobicContact CG-CB 4.38Å; F95-A131 HydrophobicContact CZ-CB 4.33Å; W103-A131 HydrophobicContact CH2-CB 4.22Å; W103-A131 HydrophobicContact CZ3-CB 3.79Å; A128-A131 PolarHBondContact O-N 3.45Å; A131-L135 PolarHBondContact O-N 3.25Å |
| 132 | V | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.4 | -39.7 | 179 | 76.1 | 0 | 0 | 0 | 0 | 111.7 | L92 W103 F119 A128 Y129 R134 L135 L136 V147 | L92-V132 HydrophobicContact CD1-CB 4.28Å; L92-V132 HydrophobicContact CD1-CG1 4.27Å; L92-V132 HydrophobicContact CD1-CG2 4.45Å; W103-V132 HydrophobicContact CE3-CB 4.29Å; W103-V132 HydrophobicContact CE3-CG2 4.43Å; W103-V132 HydrophobicContact CZ3-CB 4.1Å; F119-V132 HydrophobicContact CB-CG1 4.41Å; F119-V132 HydrophobicContact CB-CG2 4.07Å; F119-V132 HydrophobicContact CD1-CG2 3.56Å; F119-V132 HydrophobicContact CD2-CG2 3.91Å; F119-V132 HydrophobicContact CE1-CG2 3.77Å; F119-V132 HydrophobicContact CE2-CG2 4.16Å; F119-V132 HydrophobicContact CG-CG2 3.57Å; F119-V132 HydrophobicContact CZ-CG2 4.05Å; A128-V132 WeakPolarHBondContact O-CB 3.45Å; A128-V132 VanDerWaalsContact O-CG1 3.3Å; A128-V132 WeakPolarHBondContact O-CG1 3.39Å; A128-V132 PolarHBondContact O-N 3.19Å; Y129-V132 WeakPolarHBondContact O-CG1 3.45Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 2.91Å; V132-L135 WeakPolarHBondContact O-CA 3.48Å; V132-L135 WeakPolarHBondContact O-CB 3.32Å; V132-L135 PolarHBondContact O-N 3.37Å; V132-L136 HydrophobicContact CG2-CD1 4.41Å; V132-L136 HydrophobicContact CG2-CG 4.26Å; V132-L136 WeakPolarHBondContact O-CG 3.33Å; V132-L136 PolarHBondContact O-N 3.44Å; V132-V147 HydrophobicContact CG1-CG1 4.12Å; V132-V147 HydrophobicContact CG1-CG2 3.7Å |
| 133 | S | 95.4 | Very high | 92.8 | Very high | 40 Ų | 40 | 68.4 Ų | 68.4 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 177.5 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | Y129 L136 S137 | Y129-S133 VanDerWaalsContact O-CB 3.24Å; Y129-S133 WeakPolarHBondContact O-CB 3.46Å; Y129-S133 PolarHBondContact O-N 3.05Å; Y129-S133 PolarHBondContact O-OG 3.49Å; S133-L136 PolarHBondContact O-N 3.31Å; S133-S137 PolarHBondContact O-N 3.35Å |
| 134 | R | 93.8 | Very high | 92.8 | Very high | 158 Ų | 158 | 71.7 Ų | 71.7 | 60% | 0.596 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.3 | -34.1 | 174.5 | -72.8 | -171.5 | -59 | -160.8 | 2.3 | 113.4 | H130 V132 S137 | H130-R134 WeakPolarHBondContact O-CG 3.4Å; H130-R134 PolarHBondContact O-N 3.39Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 2.91Å; R134-S137 PolarHBondContact O-OG 3Å |
| 135 | L | 93.9 | Very high | 92.8 | Very high | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.8 | -49.2 | 173.5 | 178.3 | 66.2 | 0 | 0 | 0 | 109.6 | W103 I107 A131 V132 S137 M138 Y139 | W103-L135 HydrophobicContact CB-CD2 3.51Å; W103-L135 HydrophobicContact CE3-CD2 4.38Å; I107-L135 HydrophobicContact CD1-CD2 4.26Å; I107-L135 HydrophobicContact CD1-CG 4.27Å; A131-L135 PolarHBondContact O-N 3.25Å; V132-L135 WeakPolarHBondContact O-CA 3.48Å; V132-L135 WeakPolarHBondContact O-CB 3.32Å; V132-L135 PolarHBondContact O-N 3.37Å; L135-S137 VanDerWaalsContact C-N 3.33Å; L135-S137 PolarHBondContact O-N 3.03Å; L135-M138 WeakPolarHBondContact O-CB 3.42Å; L135-M138 PolarHBondContact O-N 2.91Å; L135-Y139 HydrophobicContact CD1-CD2 4.29Å; L135-Y139 HydrophobicContact CD1-CE2 3.86Å; L135-Y139 WeakPolarHBondContact O-CD2 3.49Å |
| 136 | L | 94.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -33.3 | -177.1 | -64 | -173.3 | 0 | 0 | 0 | 113.3 | I107 F119 V132 S133 M138 Y139 Q140 A145 V147 | I107-L136 HydrophobicContact CD1-CD2 4.38Å; F119-L136 HydrophobicContact CD2-CD1 3.94Å; F119-L136 HydrophobicContact CD2-CD2 4.39Å; F119-L136 HydrophobicContact CE2-CD1 4.19Å; F119-L136 HydrophobicContact CE2-CD2 3.79Å; F119-L136 HydrophobicContact CE2-CG 4.42Å; F119-L136 HydrophobicContact CZ-CD2 4.44Å; V132-L136 HydrophobicContact CG2-CD1 4.41Å; V132-L136 HydrophobicContact CG2-CG 4.26Å; V132-L136 WeakPolarHBondContact O-CG 3.33Å; V132-L136 PolarHBondContact O-N 3.44Å; S133-L136 PolarHBondContact O-N 3.31Å; L136-M138 PolarHBondContact O-N 3.05Å; L136-M138 VanDerWaalsContact O-N 3.15Å; L136-Y139 CarbonylContact O-C 3.57Å; L136-Y139 PolarHBondContact O-N 2.71Å; L136-Q140 PolarHBondContact O-N 3.35Å; L136-A145 HydrophobicContact CD1-CB 3.83Å; L136-A145 HydrophobicContact CD2-CB 3.54Å; L136-A145 HydrophobicContact CG-CB 4.25Å; L136-V147 HydrophobicContact CD1-CG2 3.86Å |
| 137 | S | 93.7 | Very high | 93.2 | Very high | 76 Ų | 76 | 69.6 Ų | 69.6 | 53% | 0.531 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.2 | 173.8 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | S133 R134 L135 Y139 | S133-S137 PolarHBondContact O-N 3.35Å; R134-S137 PolarHBondContact O-OG 3Å; L135-S137 VanDerWaalsContact C-N 3.33Å; L135-S137 PolarHBondContact O-N 3.03Å; S137-Y139 VanDerWaalsContact C-N 3.34Å |
| 138 | M | 92.6 | Very high | 93.5 | Very high | 143 Ų | 143 | 67.8 Ų | 67.8 | 70% | 0.704 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -13.7 | 174.7 | -59.3 | 178.1 | -177.4 | 0 | 0 | 113.2 | L135 L136 | L135-M138 WeakPolarHBondContact O-CB 3.42Å; L135-M138 PolarHBondContact O-N 2.91Å; L136-M138 PolarHBondContact O-N 3.05Å; L136-M138 VanDerWaalsContact O-N 3.15Å |
| 139 | Y | 92.6 | Very high | 93.8 | Very high | 42 Ų | 42 | 71.2 Ų | 71.2 | 17% | 0.165 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 11.3 | -175.7 | -68.5 | -90 | 0 | 0 | 0 | 113.3 | R104 I107 T108 L135 L136 S137 D141 H142 V143 | R104-Y139 PolarHBondContact NE-OH 2.75Å; I107-Y139 HydrophobicContact CD1-CD1 4.46Å; I107-Y139 HydrophobicContact CD1-CD2 3.79Å; I107-Y139 HydrophobicContact CD1-CE2 4.17Å; I107-Y139 HydrophobicContact CD1-CG 3.97Å; T108-Y139 HydrophobicContact CG2-CE1 4.11Å; L135-Y139 HydrophobicContact CD1-CD2 4.29Å; L135-Y139 HydrophobicContact CD1-CE2 3.86Å; L135-Y139 WeakPolarHBondContact O-CD2 3.49Å; L136-Y139 CarbonylContact O-C 3.57Å; L136-Y139 PolarHBondContact O-N 2.71Å; S137-Y139 VanDerWaalsContact C-N 3.34Å; Y139-D141 PolarHBondContact O-N 3.5Å; Y139-D141 VanDerWaalsContact O-N 3.1Å; Y139-H142 PolarHBondContact O-N 2.84Å; Y139-V143 HydrophobicContact CD1-CG2 4.46Å; Y139-V143 PolarHBondContact O-N 3.15Å |
| 140 | Q | 85.6 | Confident | 93.9 | Very high | 147 Ų | 147 | 69 Ų | 69 | 69% | 0.687 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -36 | -171 | -176.4 | 174.6 | -18.8 | 0 | 0 | 113.7 | L136 | L136-Q140 PolarHBondContact O-N 3.35Š|
| 141 | D | 88.2 | Confident | 94.1 | Very high | 150 Ų | 150 | 64.8 Ų | 64.8 | 80% | 0.802 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -4.3 | -179.1 | -56.3 | -44 | 0 | 0 | 0 | 114 | Y139 | Y139-D141 PolarHBondContact O-N 3.5Å; Y139-D141 VanDerWaalsContact O-N 3.1Å |
| 142 | H | 88.4 | Confident | 94.3 | Very high | 156 Ų | 156 | 69 Ų | 69 | 72% | 0.722 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -22.6 | -172.1 | -60.2 | 81.3 | 0 | 0 | 0 | 113 | Y139 | Y139-H142 PolarHBondContact O-N 2.84Š|
| 143 | V | 93 | Very high | 94.4 | Very high | 26 Ų | 26 | 69 Ų | 69 | 16% | 0.158 | 36% | 0.361 | C | S | . | . | trans | -137.4 | 128.2 | -172.4 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | I107 F117 Y139 A145 | I107-V143 HydrophobicContact CB-CG1 4.32Å; F117-V143 HydrophobicContact CD2-CG1 3.31Å; F117-V143 HydrophobicContact CE2-CG1 3.5Å; F117-V143 VanDerWaalsContact CE2-CG1 3.5Å; F117-V143 HydrophobicContact CG-CG1 4.34Å; Y139-V143 HydrophobicContact CD1-CG2 4.46Å; Y139-V143 PolarHBondContact O-N 3.15Å; V143-A145 HydrophobicContact CG1-CB 4.01Å; V143-A145 PolarHBondContact O-N 3.25Å | ||
| 144 | E | 95.8 | Very high | 94.5 | Very high | 96 Ų | 96 | 72.6 Ų | 72.6 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | trans | -73.7 | 92 | 168.6 | -174.2 | -177.1 | 171.4 | 0 | 0 | 108.8 | R85 L115 E116 F117 | R85-E144 IonicContact NH1-OE2 3.62Å; R85-E144 PolarHBondContact NH1-OE2 2.98Å; R85-E144 VanDerWaalsContact NH1-OE2 3.09Å; L115-E144 WeakPolarHBondContact O-CB 2.88Å; E116-E144 CarbonylContact C-O 3.47Å; E116-E144 VanDerWaalsContact CA-O 3.25Å; E116-E144 WeakPolarHBondContact CA-O 3.38Å; E116-E144 HydrophobicContact CB-CB 4.42Å; E116-E144 HydrophobicContact CB-CG 3.92Å; F117-E144 PolarHBondContact N-O 3.4Å | ||
| 145 | A | 96.2 | Very high | 94.6 | Very high | 33 Ų | 33 | 68 Ų | 68 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | F117 F119 L136 V143 | F117-A145 HydrophobicContact CB-CB 3.96Å; F117-A145 CarbonylContact O-C 3.5Å; F117-A145 VanDerWaalsContact O-CA 3.32Å; F117-A145 WeakPolarHBondContact O-CA 3.49Å; F119-A145 HydrophobicContact CE2-CB 4.44Å; L136-A145 HydrophobicContact CD1-CB 3.83Å; L136-A145 HydrophobicContact CD2-CB 3.54Å; L136-A145 HydrophobicContact CG-CB 4.25Å; V143-A145 HydrophobicContact CG1-CB 4.01Å; V143-A145 PolarHBondContact O-N 3.25Å |
| 146 | K | 95.5 | Very high | 94.8 | Very high | 83 Ų | 83 | 67.3 Ų | 67.3 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 148.8 | 177.6 | 67.9 | -160.3 | -175.2 | -146.8 | 0 | 111.8 | E116 F117 F119 V148 K169 | E116-K146 IonicContact OE2-NZ 3.88Å; E116-K146 PolarHBondContact OE2-NZ 3.49Å; F117-K146 PolarHBondContact O-N 2.83Å; F119-K146 PolarHBondContact N-O 3.4Å; K146-V148 HydrophobicContact CG-CG2 4.18Å; K146-K169 PolarHBondContact NZ-O 3Å; K146-K169 VanDerWaalsContact NZ-O 3.11Å |
| 147 | V | 97.7 | Very high | 94.9 | Very high | 38 Ų | 38 | 66.4 Ų | 66.4 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.8 | 172.5 | -167.8 | 0 | 0 | 0 | 0 | 108.4 | F119 V121 Y129 V132 L136 | F119-V147 CarbonylContact O-C 3.51Å; F119-V147 WeakPolarHBondContact O-CA 3.32Å; V121-V147 HydrophobicContact CG2-CG1 4.23Å; Y129-V147 HydrophobicContact CD2-CB 4.48Å; Y129-V147 HydrophobicContact CD2-CG1 3.52Å; Y129-V147 HydrophobicContact CE2-CB 4.23Å; Y129-V147 HydrophobicContact CE2-CG1 3.69Å; V132-V147 HydrophobicContact CG1-CG1 4.12Å; V132-V147 HydrophobicContact CG1-CG2 3.7Å; L136-V147 HydrophobicContact CD1-CG2 3.86Å |
| 148 | V | 98.3 | Very high | 95.1 | Very high | 17 Ų | 17 | 63 Ų | 63 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.5 | -179.4 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | L118 F119 V120 V121 K146 I165 K169 | L118-V148 HydrophobicContact CD2-CG2 4.27Å; F119-V148 PolarHBondContact O-N 3.33Å; V120-V148 WeakPolarHBondContact CA-O 3.35Å; V120-V148 HydrophobicContact CG1-CB 4.33Å; V120-V148 HydrophobicContact CG1-CG1 4.38Å; V120-V148 HydrophobicContact CG2-CB 4.29Å; V121-V148 PolarHBondContact N-O 2.91Å; K146-V148 HydrophobicContact CG-CG2 4.18Å; V148-I165 HydrophobicContact CG1-CG2 3.91Å; V148-K169 HydrophobicContact CG1-CG 4.05Å; V148-K169 HydrophobicContact CG2-CB 4.49Å |
| 149 | V | 98.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 57.4 Ų | 57.4 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 111.9 | 172.1 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | V121 T124 Y129 | V121-V149 HydrophobicContact CG2-CG2 4.1Å; V121-V149 WeakPolarHBondContact O-CA 3.4Å; T124-V149 HydrophobicContact CG2-CG2 4.14Å; Y129-V149 HydrophobicContact CE2-CG2 4.24Å |
| 150 | A | 98.2 | Very high | 95.6 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | trans | -83.7 | -18.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V120 V121 H161 N162 I165 | V120-A150 HydrophobicContact CG1-CB 3.57Å; V121-A150 PolarHBondContact O-N 3.4Å; A150-H161 PolarHBondContact O-NE2 3.2Å; A150-N162 WeakPolarHBondContact CB-OD1 3.48Å; A150-I165 HydrophobicContact CB-CB 3.8Å; A150-I165 HydrophobicContact CB-CG1 3.75Å; A150-I165 HydrophobicContact CB-CG2 3.97Å | ||
| 151 | G | 97.3 | Very high | 96.2 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 27% | 0.268 | 28% | 0.277 | S | S | . | . | trans | 73.1 | -173.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E122 Q158 H161 | E122-G151 CarbonylContact O-C 3.5Å; E122-G151 WeakPolarHBondContact O-CA 3.45Å; E122-G151 PolarHBondContact O-N 3.08Å; E122-G151 VanDerWaalsContact O-N 3.14Å; G151-Q158 PolarHBondContact O-NE2 2.94Å; G151-H161 PolarHBondContact O-CD2 3Å | ||
| 152 | L | 96.8 | Very high | 96.7 | Very high | 93 Ų | 93 | 43 Ų | 43 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | trans | -86.1 | 134.9 | -174.8 | -58.5 | -177.8 | 0 | 0 | 0 | 111.6 | E122 | E122-L152 HydrophobicContact CB-CD2 4.19Å; E122-L152 HydrophobicContact CG-CD2 4.31Å | ||
| 153 | S | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -67.6 | 145.1 | 171.1 | 78.8 | 0 | 0 | 0 | 0 | 112.1 | C156 I471 R473 | S153-C156 VanDerWaalsContact CB-O 3.28Å; S153-C156 WeakPolarHBondContact CB-O 3.44Å; S153-C156 PolarHBondContact OG-O 2.9Å; S153-I471 WeakPolarHBondContact OG-CD1 3.4Å; S153-R473 VanDerWaalsContact N-NH2 3.11Å; S153-R473 PolarHBondContact O-NH1 3.35Å; S153-R473 VanDerWaalsContact O-NH1 3.11Å; S153-R473 PolarHBondContact O-NH2 3.3Å; S153-R473 PolarHBondContact OG-NH2 2.7Å; S153-R473 VanDerWaalsContact OG-NH2 3.08Å | ||
| 154 | T | 96.2 | Very high | 97.4 | Very high | 117 Ų | 117 | 35 Ų | 35 | 72% | 0.718 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -122.5 | -28.5 | 178.2 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 155 | T | 96.2 | Very high | 97.6 | Very high | 61 Ų | 61 | 31.6 Ų | 31.6 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -114.7 | -18.7 | -174.6 | 65.6 | 0 | 0 | 0 | 0 | 114.4 | R268 G270 | T155-R268 WeakPolarHBondContact CB-O 3.46Å; T155-R268 PolarHBondContact OG1-O 2.96Å; T155-G270 WeakPolarHBondContact O-CA 3.49Å; T155-G270 PolarHBondContact O-N 3.34Å |
| 156 | C | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -141.2 | 179.9 | -175.4 | 58 | 0 | 0 | 0 | 0 | 110.9 | S153 I160 L267 G271 I471 | S153-C156 VanDerWaalsContact CB-O 3.28Å; S153-C156 WeakPolarHBondContact CB-O 3.44Å; S153-C156 PolarHBondContact OG-O 2.9Å; C156-I160 HydrophobicContact CB-CB 4.29Å; C156-I160 HydrophobicContact CB-CG2 4.02Å; C156-L267 WeakPolarHBondContact CB-O 3.36Å; C156-G271 CarbonylContact C-O 3.58Å; C156-G271 WeakPolarHBondContact CA-O 3.34Å; C156-G271 WeakPolarHBondContact CB-O 3.31Å; C156-I471 VanDerWaalsContact O-CD1 3.29Å; C156-I471 WeakPolarHBondContact O-CD1 3.49Å |
| 157 | S | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -61.2 | 154.8 | 175 | 73.4 | 0 | 0 | 0 | 0 | 110.9 | K159 I160 H161 G271 Y272 I468 | S157-K159 PolarHBondContact O-N 3.49Å; S157-I160 PolarHBondContact O-N 3.25Å; S157-I160 WeakPolarHBondContact OG-CG1 3.45Å; S157-I160 PolarHBondContact OG-N 2.86Å; S157-H161 PolarHBondContact O-N 2.9Å; S157-G271 PolarHBondContact N-O 3.46Å; S157-Y272 WeakPolarHBondContact CB-O 3.24Å; S157-Y272 PolarHBondContact OG-O 3.25Å; S157-I468 VanDerWaalsContact N-CD1 3.33Å | ||
| 158 | Q | 97.1 | Very high | 97.8 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -32.2 | -179.4 | -170.5 | 66.9 | 53.5 | 0 | 0 | 110.8 | E122 G151 H161 N162 I459 Y461 | E122-Q158 HydrophobicContact CB-CG 4.1Å; G151-Q158 PolarHBondContact O-NE2 2.94Å; Q158-H161 PolarHBondContact O-N 3.23Å; Q158-N162 PolarHBondContact NE2-OD1 3.42Å; Q158-N162 WeakPolarHBondContact O-CB 3.43Å; Q158-N162 PolarHBondContact O-N 3.4Å; Q158-N162 PolarHBondContact O-OD1 3.42Å; Q158-I459 HydrophobicContact CB-CD1 3.59Å; Q158-I459 HydrophobicContact CG-CD1 3.93Å; Q158-Y461 VanDerWaalsContact CB-OH 3.28Å; Q158-Y461 WeakPolarHBondContact CB-OH 3.34Å; Q158-Y461 PolarHBondContact N-OH 3.49Å |
| 159 | K | 97.1 | Very high | 97.8 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 11% | 0.109 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -53.2 | 173.6 | -172.5 | -174.8 | -178.1 | -166.1 | 0 | 111 | P91 S157 H161 N162 Q163 D181 G246 D274 W456 | P91-K159 HydrophobicContact CB-CG 4.07Å; P91-K159 HydrophobicContact CG-CG 3.81Å; S157-K159 PolarHBondContact O-N 3.49Å; K159-H161 PolarHBondContact O-N 3.25Å; K159-N162 PolarHBondContact O-N 3.27Å; K159-Q163 WeakPolarHBondContact O-CG 3.15Å; K159-Q163 PolarHBondContact O-N 2.82Å; K159-D181 WeakPolarHBondContact CE-OD1 3.37Å; K159-D181 IonicContact NZ-OD1 2.72Å; K159-D181 PolarHBondContact NZ-OD1 3.24Å; K159-D181 IonicContact NZ-OD2 3.47Å; K159-G246 PolarHBondContact NZ-O 3.32Å; K159-G246 VanDerWaalsContact NZ-O 3.09Å; K159-D274 VanDerWaalsContact CE-OD2 3.25Å; K159-D274 WeakPolarHBondContact CE-OD2 3.42Å; K159-D274 IonicContact NZ-OD1 2.7Å; K159-D274 PolarHBondContact NZ-OD1 3.33Å; K159-D274 IonicContact NZ-OD2 2.9Å; K159-D274 PolarHBondContact NZ-OD2 3.1Å; K159-W456 HydrophobicContact CB-CH2 3.53Å; K159-W456 HydrophobicContact CB-CZ2 4.28Å; K159-W456 HydrophobicContact CB-CZ3 4.13Å; K159-W456 HydrophobicContact CD-CH2 3.66Å; K159-W456 HydrophobicContact CD-CZ2 4.12Å; K159-W456 HydrophobicContact CG-CH2 4.17Å |
| 160 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 179 | -72.1 | 170.1 | 0 | 0 | 0 | 110.9 | C156 S157 N162 Q163 L164 L267 G271 D274 | C156-I160 HydrophobicContact CB-CB 4.29Å; C156-I160 HydrophobicContact CB-CG2 4.02Å; S157-I160 PolarHBondContact O-N 3.25Å; S157-I160 WeakPolarHBondContact OG-CG1 3.45Å; S157-I160 PolarHBondContact OG-N 2.86Å; I160-N162 VanDerWaalsContact C-N 3.33Å; I160-N162 PolarHBondContact O-N 3.08Å; I160-Q163 WeakPolarHBondContact O-CB 3.34Å; I160-Q163 PolarHBondContact O-N 3.23Å; I160-Q163 VanDerWaalsContact O-N 3.15Å; I160-L164 HydrophobicContact CG2-CD1 4.01Å; I160-L164 HydrophobicContact CG2-CG 4.22Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 2.88Å; I160-L267 HydrophobicContact CD1-CD2 3.93Å; I160-L267 HydrophobicContact CG1-CD2 4.18Å; I160-L267 HydrophobicContact CG2-CB 3.78Å; I160-L267 HydrophobicContact CG2-CD2 4.31Å; I160-G271 WeakPolarHBondContact CD1-O 3.43Å; I160-D274 HydrophobicContact CD1-CB 4.43Å; I160-D274 HydrophobicContact CG1-CB 3.98Å |
| 161 | H | 98.5 | Very high | 97.8 | Very high | 35 Ų | 35 | 34.4 Ų | 34.4 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 176.8 | -178.7 | 78 | 0 | 0 | 0 | 111.8 | A150 G151 S157 Q158 K159 Q163 L164 I165 | A150-H161 PolarHBondContact O-NE2 3.2Å; G151-H161 PolarHBondContact O-CD2 3Å; S157-H161 PolarHBondContact O-N 2.9Å; Q158-H161 PolarHBondContact O-N 3.23Å; K159-H161 PolarHBondContact O-N 3.25Å; H161-Q163 VanDerWaalsContact C-N 3.34Å; H161-Q163 PolarHBondContact O-N 3.47Å; H161-L164 PolarHBondContact O-N 3.42Å; H161-I165 WeakPolarHBondContact O-CG1 3.45Å; H161-I165 PolarHBondContact O-N 2.7Å |
| 162 | N | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.011 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 176.8 | -71.6 | 12.2 | 0 | 0 | 0 | 111.7 | P91 L92 V120 A150 Q158 K159 I160 G166 | P91-N162 HydrophobicContact CB-CB 3.7Å; L92-N162 PolarHBondContact O-ND2 2.84Å; V120-N162 HydrophobicContact CB-CB 4.01Å; V120-N162 HydrophobicContact CG1-CB 3.73Å; V120-N162 WeakPolarHBondContact CG1-O 3.38Å; V120-N162 PolarHBondContact O-ND2 2.92Å; A150-N162 WeakPolarHBondContact CB-OD1 3.48Å; Q158-N162 PolarHBondContact NE2-OD1 3.42Å; Q158-N162 WeakPolarHBondContact O-CB 3.43Å; Q158-N162 PolarHBondContact O-N 3.4Å; Q158-N162 PolarHBondContact O-OD1 3.42Å; K159-N162 PolarHBondContact O-N 3.27Å; I160-N162 VanDerWaalsContact C-N 3.33Å; I160-N162 PolarHBondContact O-N 3.08Å; N162-G166 PolarHBondContact O-N 3.26Å |
| 163 | Q | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -47.8 | 174.9 | -72.5 | 171.7 | -25.7 | 0 | 0 | 111.7 | P91 K159 I160 H161 I165 G166 V167 F179 D274 | P91-Q163 HydrophobicContact CB-CG 4.13Å; P91-Q163 HydrophobicContact CG-CG 3.76Å; K159-Q163 WeakPolarHBondContact O-CG 3.15Å; K159-Q163 PolarHBondContact O-N 2.82Å; I160-Q163 WeakPolarHBondContact O-CB 3.34Å; I160-Q163 PolarHBondContact O-N 3.23Å; I160-Q163 VanDerWaalsContact O-N 3.15Å; H161-Q163 VanDerWaalsContact C-N 3.34Å; H161-Q163 PolarHBondContact O-N 3.47Å; Q163-I165 PolarHBondContact O-N 2.79Å; Q163-G166 PolarHBondContact O-N 2.86Å; Q163-G166 VanDerWaalsContact O-N 3.17Å; Q163-V167 WeakPolarHBondContact O-CG2 3.45Å; Q163-V167 PolarHBondContact O-N 2.87Å; Q163-F179 HydrophobicContact CB-CD1 3.95Å; Q163-F179 HydrophobicContact CB-CE1 3.75Å; Q163-F179 HydrophobicContact CG-CD1 3.7Å; Q163-F179 HydrophobicContact CG-CE1 4.06Å; Q163-D274 PolarHBondContact NE2-OD2 2.91Å; Q163-D274 PolarHBondContact OE1-OD2 3.49Å |
| 164 | L | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 179.9 | -67 | -179.9 | 0 | 0 | 0 | 111.9 | I160 H161 G166 V167 E168 F256 V264 L267 R268 | I160-L164 HydrophobicContact CG2-CD1 4.01Å; I160-L164 HydrophobicContact CG2-CG 4.22Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 2.88Å; H161-L164 PolarHBondContact O-N 3.42Å; L164-G166 VanDerWaalsContact C-N 3.33Å; L164-V167 WeakPolarHBondContact O-CB 3.36Å; L164-V167 PolarHBondContact O-N 3.35Å; L164-E168 WeakPolarHBondContact O-CG 3.31Å; L164-E168 PolarHBondContact O-N 3.33Å; L164-F256 HydrophobicContact CD2-CD1 4.4Å; L164-V264 HydrophobicContact CD2-CG1 4.25Å; L164-V264 HydrophobicContact CD2-CG2 4.4Å; L164-L267 HydrophobicContact CD1-CB 4.47Å; L164-L267 HydrophobicContact CD2-CD1 4.27Å; L164-R268 HydrophobicContact CD1-CB 4.08Å |
| 165 | I | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 13% | 0.128 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 173.9 | -62.5 | -56.8 | 0 | 0 | 0 | 111.3 | V148 A150 H161 Q163 V167 E168 K169 | V148-I165 HydrophobicContact CG1-CG2 3.91Å; A150-I165 HydrophobicContact CB-CB 3.8Å; A150-I165 HydrophobicContact CB-CG1 3.75Å; A150-I165 HydrophobicContact CB-CG2 3.97Å; H161-I165 WeakPolarHBondContact O-CG1 3.45Å; H161-I165 PolarHBondContact O-N 2.7Å; Q163-I165 PolarHBondContact O-N 2.79Å; I165-V167 VanDerWaalsContact C-N 3.3Å; I165-V167 PolarHBondContact O-N 3.45Å; I165-E168 WeakPolarHBondContact CD1-OE2 3.39Å; I165-E168 PolarHBondContact O-N 3.43Å; I165-K169 HydrophobicContact CG2-CG 4.37Å; I165-K169 WeakPolarHBondContact O-CG 3.5Å; I165-K169 PolarHBondContact O-N 3.17Å |
| 166 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | N162 Q163 L164 K169 M170 | N162-G166 PolarHBondContact O-N 3.26Å; Q163-G166 PolarHBondContact O-N 2.86Å; Q163-G166 VanDerWaalsContact O-N 3.17Å; L164-G166 VanDerWaalsContact C-N 3.33Å; G166-K169 CarbonylContact O-C 3.49Å; G166-K169 PolarHBondContact O-N 3.41Å; G166-M170 PolarHBondContact O-N 2.66Å |
| 167 | V | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 9% | 0.085 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.5 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | Q163 L164 I165 K169 M170 V177 F179 F256 | Q163-V167 WeakPolarHBondContact O-CG2 3.45Å; Q163-V167 PolarHBondContact O-N 2.87Å; L164-V167 WeakPolarHBondContact O-CB 3.36Å; L164-V167 PolarHBondContact O-N 3.35Å; I165-V167 VanDerWaalsContact C-N 3.3Å; I165-V167 PolarHBondContact O-N 3.45Å; V167-K169 PolarHBondContact O-N 3.25Å; V167-M170 HydrophobicContact CG1-CE 3.76Å; V167-M170 HydrophobicContact CG1-SD 4.2Å; V167-M170 WeakPolarHBondContact O-CG 3.46Å; V167-M170 PolarHBondContact O-N 2.85Å; V167-V177 HydrophobicContact CG2-CG2 4.25Å; V167-F179 HydrophobicContact CG2-CE1 3.74Å; V167-F179 HydrophobicContact CG2-CZ 3.54Å; V167-F256 HydrophobicContact CG1-CB 3.49Å; V167-F256 VanDerWaalsContact CG1-CB 3.49Å; V167-F256 HydrophobicContact CG1-CD1 4.12Å; V167-F256 HydrophobicContact CG1-CG 3.91Å; V167-F256 HydrophobicContact CG2-CD1 4.01Å; V167-F256 HydrophobicContact CG2-CE1 4.35Å; V167-F256 HydrophobicContact CG2-CG 4.21Å |
| 168 | E | 98.1 | Very high | 98.3 | Very high | 112 Ų | 112 | 37.3 Ų | 37.3 | 52% | 0.523 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.8 | -25.7 | 176 | -72.2 | 175.1 | -169.2 | 0 | 0 | 112.7 | L164 I165 R268 | L164-E168 WeakPolarHBondContact O-CG 3.31Å; L164-E168 PolarHBondContact O-N 3.33Å; I165-E168 WeakPolarHBondContact CD1-OE2 3.39Å; I165-E168 PolarHBondContact O-N 3.43Å; E168-R268 IonicContact OE1-NH2 2.7Å; E168-R268 PolarHBondContact OE1-NH2 3.2Å |
| 169 | K | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 37.1 Ų | 37.1 | 53% | 0.526 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 1 | -179.9 | -62.7 | -58.8 | -177.4 | -173.5 | 0 | 114.4 | L118 K146 V148 I165 G166 V167 | L118-K169 HydrophobicContact CD2-CB 3.87Å; K146-K169 PolarHBondContact NZ-O 3Å; K146-K169 VanDerWaalsContact NZ-O 3.11Å; V148-K169 HydrophobicContact CG1-CG 4.05Å; V148-K169 HydrophobicContact CG2-CB 4.49Å; I165-K169 HydrophobicContact CG2-CG 4.37Å; I165-K169 WeakPolarHBondContact O-CG 3.5Å; I165-K169 PolarHBondContact O-N 3.17Å; G166-K169 CarbonylContact O-C 3.49Å; G166-K169 PolarHBondContact O-N 3.41Å; V167-K169 PolarHBondContact O-N 3.25Å |
| 170 | M | 98.1 | Very high | 98.4 | Very high | 20 Ų | 20 | 36 Ų | 36 | 10% | 0.099 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -67.6 | 154.1 | 177.3 | 84.3 | -172.5 | 156.8 | 0 | 0 | 110.7 | E116 G166 V167 T174 V177 A253 R257 | E116-M170 VanDerWaalsContact OE1-CA 3.3Å; E116-M170 WeakPolarHBondContact OE1-CA 3.17Å; G166-M170 PolarHBondContact O-N 2.66Å; V167-M170 HydrophobicContact CG1-CE 3.76Å; V167-M170 HydrophobicContact CG1-SD 4.2Å; V167-M170 WeakPolarHBondContact O-CG 3.46Å; V167-M170 PolarHBondContact O-N 2.85Å; M170-T174 HydrophobicContact SD-CG2 4.19Å; M170-V177 HydrophobicContact SD-CB 4.48Å; M170-A253 HydrophobicContact CE-CB 3.85Å; M170-A253 HydrophobicContact SD-CB 4.04Å; M170-R257 HydrophobicContact CE-CG 3.68Å |
| 171 | H | 98.3 | Very high | 98.2 | Very high | 53 Ų | 53 | 37.3 Ų | 37.3 | 25% | 0.245 | 18% | 0.175 | C | C | . | . | trans | -59.8 | 140.8 | 179.7 | -168.1 | -83.8 | 0 | 0 | 0 | 110.2 | R85 E116 D173 T174 R257 | R85-H171 WeakPolarHBondContact CD-ND1 3.43Å; R85-H171 PolarHBondContact NE-ND1 3.33Å; E116-H171 WeakPolarHBondContact OE1-CB 3.24Å; E116-H171 PolarHBondContact OE1-N 3.15Å; H171-D173 IonicContact CE1-OD2 2.69Å; H171-D173 PolarHBondContact CE1-OD2 3.4Å; H171-D173 VanDerWaalsContact CE1-OD2 3.23Å; H171-D173 PolarHBondContact ND1-N 2.91Å; H171-D173 VanDerWaalsContact ND1-N 3.17Å; H171-D173 IonicContact ND1-OD2 3.16Å; H171-D173 PolarHBondContact O-N 3.38Å; H171-T174 VanDerWaalsContact O-CB 3.27Å; H171-T174 WeakPolarHBondContact O-CB 3.33Å; H171-T174 PolarHBondContact O-N 3.31Å; H171-T174 VanDerWaalsContact O-N 3.08Å; H171-T174 PolarHBondContact O-OG1 3.16Å; H171-T174 VanDerWaalsContact O-OG1 3.1Å; H171-R257 PolarHBondContact O-NH2 2.95Å | ||
| 172 | K | 97.8 | Very high | 97.9 | Very high | 164 Ų | 164 | 36.8 Ų | 36.8 | 71% | 0.713 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -32.3 | -176.8 | 58.4 | 170 | -170.6 | 175.7 | 0 | 113.3 | T174 R257 | K172-T174 VanDerWaalsContact C-N 3.34Å; K172-R257 PolarHBondContact O-NH2 2.82Å |
| 173 | D | 98 | Very high | 97.5 | Very high | 102 Ų | 102 | 38.6 Ų | 38.6 | 55% | 0.545 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 5.2 | -177.8 | -54.4 | -33.2 | 0 | 0 | 0 | 113.2 | H171 K175 | H171-D173 IonicContact CE1-OD2 2.69Å; H171-D173 PolarHBondContact CE1-OD2 3.4Å; H171-D173 VanDerWaalsContact CE1-OD2 3.23Å; H171-D173 PolarHBondContact ND1-N 2.91Å; H171-D173 VanDerWaalsContact ND1-N 3.17Å; H171-D173 IonicContact ND1-OD2 3.16Å; H171-D173 PolarHBondContact O-N 3.38Å; D173-K175 PolarHBondContact O-N 3.16Å |
| 174 | T | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | trans | -62.1 | 126.3 | 176.3 | -65.5 | 0 | 0 | 0 | 0 | 110.4 | S87 M170 H171 K172 Y176 A253 R257 | S87-T174 WeakPolarHBondContact OG-CB 3.31Å; S87-T174 WeakPolarHBondContact OG-CG2 3.49Å; S87-T174 PolarHBondContact OG-OG1 3.01Å; M170-T174 HydrophobicContact SD-CG2 4.19Å; H171-T174 VanDerWaalsContact O-CB 3.27Å; H171-T174 WeakPolarHBondContact O-CB 3.33Å; H171-T174 PolarHBondContact O-N 3.31Å; H171-T174 VanDerWaalsContact O-N 3.08Å; H171-T174 PolarHBondContact O-OG1 3.16Å; H171-T174 VanDerWaalsContact O-OG1 3.1Å; K172-T174 VanDerWaalsContact C-N 3.34Å; T174-Y176 WeakPolarHBondContact CG2-O 2.99Å; T174-A253 HydrophobicContact CG2-CB 4.11Å; T174-A253 VanDerWaalsContact O-CB 3.31Å; T174-A253 WeakPolarHBondContact O-CB 3.47Å; T174-R257 PolarHBondContact O-NH1 3Å; T174-R257 PolarHBondContact O-NH2 3.27Å | ||
| 175 | K | 98.7 | Very high | 97.1 | Very high | 88 Ų | 88 | 39.3 Ų | 39.3 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | trans | -90.4 | -43.1 | 175.7 | -170.5 | 179.8 | -177.2 | 179.8 | 0 | 111.2 | P84 R85 D173 E199 A253 | P84-K175 HydrophobicContact CB-CB 3.85Å; P84-K175 HydrophobicContact CB-CD 3.52Å; P84-K175 HydrophobicContact CB-CG 4.28Å; P84-K175 HydrophobicContact CG-CD 4.27Å; R85-K175 PolarHBondContact O-N 3.2Å; D173-K175 PolarHBondContact O-N 3.16Å; K175-E199 WeakPolarHBondContact CD-OE1 3.24Å; K175-E199 VanDerWaalsContact CE-OE1 3.29Å; K175-E199 WeakPolarHBondContact CE-OE1 3.18Å; K175-E199 IonicContact NZ-OE1 3.3Å; K175-E199 PolarHBondContact NZ-OE1 3.39Å; K175-E199 IonicContact NZ-OE2 3.55Å; K175-E199 PolarHBondContact NZ-OE2 3.07Å; K175-A253 WeakPolarHBondContact O-CB 3.06Å; K175-A253 PolarHBondContact O-N 2.7Å | ||
| 176 | Y | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.8 | 179.4 | -56.8 | -62.8 | 0 | 0 | 0 | 111.5 | P84 R85 V86 S87 T174 T195 M198 E199 M250 M251 H252 | P84-Y176 HydrophobicContact CB-CD2 4.42Å; P84-Y176 HydrophobicContact CB-CE2 4.37Å; P84-Y176 HydrophobicContact CG-CD2 3.94Å; P84-Y176 HydrophobicContact CG-CE2 3.81Å; R85-Y176 PolarHBondContact O-N 2.82Å; V86-Y176 WeakPolarHBondContact CA-O 3.24Å; S87-Y176 PolarHBondContact N-O 2.99Å; T174-Y176 WeakPolarHBondContact CG2-O 2.99Å; Y176-T195 HydrophobicContact CD2-CG2 4.21Å; Y176-T195 HydrophobicContact CE2-CG2 4.17Å; Y176-M198 HydrophobicContact CD1-CB 4.32Å; Y176-M198 HydrophobicContact CD1-CE 3.73Å; Y176-M198 HydrophobicContact CD1-CG 4.35Å; Y176-M198 HydrophobicContact CD2-CB 4.47Å; Y176-M198 HydrophobicContact CE1-CB 3.74Å; Y176-M198 HydrophobicContact CE1-CE 3.56Å; Y176-M198 HydrophobicContact CE1-CG 4.18Å; Y176-M198 HydrophobicContact CE2-CB 3.89Å; Y176-M198 PolarHBondContact OH-O 3.13Å; Y176-E199 HydrophobicContact CE2-CG 4.45Å; Y176-E199 WeakPolarHBondContact CE2-OE1 3.45Å; Y176-E199 PolarHBondContact OH-OE1 3.39Å; Y176-E199 VanDerWaalsContact OH-OE1 3.05Å; Y176-M250 HydrophobicContact CG-SD 4.47Å; Y176-M251 CarbonylContact C-O 3.54Å; Y176-M251 VanDerWaalsContact CA-O 3.28Å; Y176-M251 WeakPolarHBondContact CA-O 3.4Å; Y176-H252 AromaticContact CE1-CE1 3.62Å; Y176-H252 AromaticContact CE1-ND1 3.58Å |
| 177 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.6 | 170.4 | 59.3 | 0 | 0 | 0 | 0 | 108.9 | S87 V89 V167 M170 F179 M250 M251 F256 | S87-V177 CarbonylContact O-C 3.41Å; S87-V177 WeakPolarHBondContact O-CA 3.17Å; V89-V177 HydrophobicContact CB-CG2 4.49Å; V89-V177 HydrophobicContact CG2-CG2 3.86Å; V167-V177 HydrophobicContact CG2-CG2 4.25Å; M170-V177 HydrophobicContact SD-CB 4.48Å; V177-F179 HydrophobicContact CG1-CE2 3.83Å; V177-F179 HydrophobicContact CG1-CZ 4.04Å; V177-F179 HydrophobicContact CG2-CE1 4.03Å; V177-F179 HydrophobicContact CG2-CE2 4.03Å; V177-F179 HydrophobicContact CG2-CZ 3.74Å; V177-M250 CarbonylContact O-C 3.6Å; V177-M250 WeakPolarHBondContact O-CA 3.37Å; V177-M251 HydrophobicContact CG1-CB 4.21Å; V177-M251 PolarHBondContact N-O 2.95Å; V177-M251 PolarHBondContact O-N 2.72Å; V177-F256 HydrophobicContact CG1-CD2 3.83Å; V177-F256 HydrophobicContact CG1-CE2 3.71Å |
| 178 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.4 | 175.9 | 173.1 | 60.7 | 0 | 0 | 0 | 109.3 | V86 S87 V88 V89 L180 I191 L194 M249 M250 | V86-L178 HydrophobicContact CG1-CB 4.15Å; S87-L178 PolarHBondContact O-N 2.97Å; V88-L178 CarbonylContact C-O 3.57Å; V88-L178 VanDerWaalsContact CA-O 3.31Å; V88-L178 WeakPolarHBondContact CA-O 3.36Å; V88-L178 HydrophobicContact CG1-CD2 4.42Å; V88-L178 HydrophobicContact CG1-CG 4.44Å; V88-L178 HydrophobicContact CG2-CB 4.39Å; V88-L178 HydrophobicContact CG2-CD2 4.26Å; V89-L178 PolarHBondContact N-O 2.96Å; L178-L180 HydrophobicContact CD1-CD2 3.96Å; L178-L180 HydrophobicContact CD1-CG 4.4Å; L178-L180 HydrophobicContact CD2-CD1 4.17Å; L178-L180 HydrophobicContact CD2-CD2 4.17Å; L178-L180 HydrophobicContact CD2-CG 4.2Å; L178-L180 HydrophobicContact CG-CD1 4.42Å; L178-L180 HydrophobicContact CG-CD2 4.03Å; L178-L180 HydrophobicContact CG-CG 3.96Å; L178-I191 HydrophobicContact CD2-CD1 4.37Å; L178-I191 HydrophobicContact CD2-CG1 3.86Å; L178-L194 HydrophobicContact CD1-CD1 3.94Å; L178-L194 HydrophobicContact CD2-CD1 4.4Å; L178-M249 CarbonylContact C-O 3.58Å; L178-M249 WeakPolarHBondContact CA-O 3.25Å; L178-M250 HydrophobicContact CB-CE 4.15Å; L178-M250 HydrophobicContact CD1-CB 4.1Å; L178-M250 HydrophobicContact CD1-CE 4.49Å; L178-M250 HydrophobicContact CD2-CE 4.29Å |
| 179 | F | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.013 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133.9 | 170.4 | -55.2 | -79.1 | 0 | 0 | 0 | 110.2 | V89 Q163 V167 V177 C248 M249 M251 F256 | V89-F179 HydrophobicContact CB-CD1 3.77Å; V89-F179 HydrophobicContact CB-CE1 3.96Å; V89-F179 HydrophobicContact CG1-CD1 3.94Å; V89-F179 HydrophobicContact CG1-CE1 4.03Å; V89-F179 HydrophobicContact CG2-CE1 4.38Å; V89-F179 WeakPolarHBondContact O-CA 3.27Å; Q163-F179 HydrophobicContact CB-CD1 3.95Å; Q163-F179 HydrophobicContact CB-CE1 3.75Å; Q163-F179 HydrophobicContact CG-CD1 3.7Å; Q163-F179 HydrophobicContact CG-CE1 4.06Å; V167-F179 HydrophobicContact CG2-CE1 3.74Å; V167-F179 HydrophobicContact CG2-CZ 3.54Å; V177-F179 HydrophobicContact CG1-CE2 3.83Å; V177-F179 HydrophobicContact CG1-CZ 4.04Å; V177-F179 HydrophobicContact CG2-CE1 4.03Å; V177-F179 HydrophobicContact CG2-CE2 4.03Å; V177-F179 HydrophobicContact CG2-CZ 3.74Å; F179-C248 CarbonylContact O-C 3.59Å; F179-C248 VanDerWaalsContact O-CA 3.31Å; F179-C248 WeakPolarHBondContact O-CA 3.18Å; F179-M249 HydrophobicContact CB-CB 4.27Å; F179-M249 HydrophobicContact CB-CE 4.18Å; F179-M249 HydrophobicContact CD2-CB 4.21Å; F179-M249 HydrophobicContact CD2-CE 4.42Å; F179-M249 PolarHBondContact N-O 3.08Å; F179-M249 PolarHBondContact O-N 2.88Å; F179-M251 HydrophobicContact CE2-SD 4.44Å; F179-F256 HydrophobicContact CE2-CE1 4.17Å; F179-F256 AromaticContact CE2-CE2 3.7Å; F179-F256 HydrophobicContact CE2-CE2 3.7Å; F179-F256 AromaticContact CE2-CZ 3.35Å; F179-F256 HydrophobicContact CE2-CZ 3.35Å; F179-F256 AromaticContact CZ-CE1 3.8Å; F179-F256 HydrophobicContact CZ-CE1 3.8Å; F179-F256 AromaticContact CZ-CE2 3.93Å; F179-F256 HydrophobicContact CZ-CE2 3.93Å; F179-F256 AromaticContact CZ-CZ 3.44Å; F179-F256 HydrophobicContact CZ-CZ 3.44Å; F179-F256 VanDerWaalsContact CZ-CZ 3.44Å |
| 180 | L | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 136.9 | 177.4 | -64.1 | 175.2 | 0 | 0 | 0 | 111 | V88 V89 M90 Q106 L178 L186 G247 C248 | V88-L180 HydrophobicContact CG1-CD1 3.53Å; V88-L180 HydrophobicContact CG1-CG 4.09Å; V89-L180 PolarHBondContact O-N 2.66Å; V89-L180 VanDerWaalsContact O-N 3.16Å; M90-L180 HydrophobicContact CG-CB 3.94Å; Q106-L180 HydrophobicContact CB-CD1 4.44Å; Q106-L180 HydrophobicContact CG-CD1 4.13Å; L178-L180 HydrophobicContact CD1-CD2 3.96Å; L178-L180 HydrophobicContact CD1-CG 4.4Å; L178-L180 HydrophobicContact CD2-CD1 4.17Å; L178-L180 HydrophobicContact CD2-CD2 4.17Å; L178-L180 HydrophobicContact CD2-CG 4.2Å; L178-L180 HydrophobicContact CG-CD1 4.42Å; L178-L180 HydrophobicContact CG-CD2 4.03Å; L178-L180 HydrophobicContact CG-CG 3.96Å; L180-L186 HydrophobicContact CD1-CD1 4.32Å; L180-L186 HydrophobicContact CD1-CD2 3.51Å; L180-L186 HydrophobicContact CD2-CD1 4.21Å; L180-L186 HydrophobicContact CD2-CD2 4.09Å; L180-L186 HydrophobicContact CG-CD2 4.47Å; L180-G247 WeakPolarHBondContact CA-O 3.45Å; L180-C248 HydrophobicContact CD2-CB 4.06Å |
| 181 | D | 94.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 27.8 Ų | 27.8 | 15% | 0.15 | 14% | 0.135 | C | C | . | . | trans | -71.4 | 157.1 | 163.8 | -78.1 | -6.5 | 0 | 0 | 0 | 110.1 | Q106 K159 D183 G247 | Q106-D181 PolarHBondContact NE2-O 3.27Å; K159-D181 WeakPolarHBondContact CE-OD1 3.37Å; K159-D181 IonicContact NZ-OD1 2.72Å; K159-D181 PolarHBondContact NZ-OD1 3.24Å; K159-D181 IonicContact NZ-OD2 3.47Å; D181-D183 VanDerWaalsContact C-N 3.32Å; D181-D183 WeakPolarHBondContact CB-OD1 3.28Å; D181-G247 PolarHBondContact N-O 3.24Å; D181-G247 WeakPolarHBondContact OD2-CA 3.3Å | ||
| 182 | D | 91 | Very high | 96.5 | Very high | 24 Ų | 24 | 25.4 Ų | 25.4 | 13% | 0.128 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -87 | -1.4 | -174.6 | 71.2 | -34.1 | 0 | 0 | 0 | 114.1 | L92 N99 N102 | L92-D182 HydrophobicContact CD2-CB 3.61Å; N99-D182 VanDerWaalsContact ND2-CG 3.33Å; N99-D182 PolarHBondContact ND2-O 2.71Å; N99-D182 PolarHBondContact ND2-OD2 3.09Å; N102-D182 WeakPolarHBondContact CB-O 3.38Å; N102-D182 PolarHBondContact ND2-O 3.21Å |
| 183 | D | 90.2 | Very high | 96.4 | Very high | 39 Ų | 39 | 18.7 Ų | 18.7 | 21% | 0.209 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -104.3 | -5.5 | -170.4 | 59.2 | 9.8 | 0 | 0 | 0 | 114.2 | N102 D181 H299 | N102-D183 VanDerWaalsContact ND2-CA 3.26Å; N102-D183 WeakPolarHBondContact ND2-CA 3.39Å; N102-D183 PolarHBondContact ND2-O 2.77Å; D181-D183 VanDerWaalsContact C-N 3.32Å; D181-D183 WeakPolarHBondContact CB-OD1 3.28Å; D183-H299 PolarHBondContact O-CD2 2.99Å; D183-H299 VanDerWaalsContact O-CD2 3.3Å; D183-H299 IonicContact OD2-NE2 2.95Å |
| 184 | V | 93.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -106.9 | 152 | -179.2 | -63.8 | 0 | 0 | 0 | 0 | 114.9 | N102 Q106 L186 P211 W245 F297 H299 | N102-V184 WeakPolarHBondContact CB-O 3.02Å; Q106-V184 PolarHBondContact NE2-O 3.49Å; V184-L186 HydrophobicContact CG2-CD1 3.87Å; V184-P211 HydrophobicContact CG1-CB 4.3Å; V184-W245 HydrophobicContact CB-CH2 4.28Å; V184-W245 HydrophobicContact CG1-CH2 3.51Å; V184-W245 HydrophobicContact CG1-CZ2 3.73Å; V184-W245 HydrophobicContact CG2-CH2 4.05Å; V184-F297 HydrophobicContact CB-CB 3.91Å; V184-F297 HydrophobicContact CG1-CB 4.34Å; V184-F297 HydrophobicContact CG2-CB 4.41Å; V184-H299 HydrophobicContact CG1-CB 4.12Å | ||
| 185 | R | 94.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 13.8 Ų | 13.8 | 11% | 0.106 | 7% | 0.073 | C | C | . | . | P | Polyproline II helix | trans | -96.3 | 121.3 | 172.9 | -66 | -175.4 | -72.5 | 173.8 | -6.4 | 111.3 | H101 N102 S105 P298 | H101-R185 VanDerWaalsContact CD2-CD 3.41Å; H101-R185 WeakPolarHBondContact CD2-CD 3.13Å; H101-R185 WeakPolarHBondContact NE2-CD 3.11Å; N102-R185 WeakPolarHBondContact OD1-CG 3.36Å; S105-R185 WeakPolarHBondContact OG-CA 3.4Å; R185-P298 HydrophobicContact CB-CB 4.39Å; R185-P298 PolarHBondContact N-O 3.43Å; R185-P298 WeakPolarHBondContact O-CD 3.47Å |
| 186 | L | 95.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 11.5 Ų | 11.5 | 6% | 0.058 | 7% | 0.067 | C | C | . | . | P | Polyproline II helix | trans | -84.1 | 153.2 | 174.8 | -89.2 | 61.7 | 0 | 0 | 0 | 110.7 | S105 Q106 L180 V184 T190 F297 | S105-L186 PolarHBondContact OG-N 2.9Å; S105-L186 VanDerWaalsContact OG-N 3.11Å; Q106-L186 HydrophobicContact CG-CD1 3.87Å; Q106-L186 HydrophobicContact CG-CD2 4.29Å; Q106-L186 HydrophobicContact CG-CG 4.44Å; L180-L186 HydrophobicContact CD1-CD1 4.32Å; L180-L186 HydrophobicContact CD1-CD2 3.51Å; L180-L186 HydrophobicContact CD2-CD1 4.21Å; L180-L186 HydrophobicContact CD2-CD2 4.09Å; L180-L186 HydrophobicContact CG-CD2 4.47Å; V184-L186 HydrophobicContact CG2-CD1 3.87Å; L186-T190 HydrophobicContact CD2-CG2 4Å; L186-T190 HydrophobicContact CG-CG2 4.08Å; L186-F297 HydrophobicContact CD1-CD1 4.36Å; L186-F297 HydrophobicContact CG-CD1 4.34Å; L186-F297 HydrophobicContact CG-CE1 4.28Å |
| 187 | H | 95.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 14.7 Ų | 14.7 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | P | Polyproline II helix | trans | -90.6 | 154.2 | 165.5 | 69.9 | 93.1 | 0 | 0 | 0 | 109.7 | G189 T190 V294 L413 S414 | H187-G189 PolarHBondContact ND1-N 3.08Å; H187-G189 PolarHBondContact O-N 2.83Å; H187-T190 PolarHBondContact CD2-OG1 3.49Å; H187-T190 VanDerWaalsContact CE1-CA 3.48Å; H187-T190 WeakPolarHBondContact CE1-CA 3.38Å; H187-T190 PolarHBondContact CE1-N 3.08Å; H187-T190 PolarHBondContact N-OG1 2.88Å; H187-T190 VanDerWaalsContact N-OG1 3.16Å; H187-T190 PolarHBondContact ND1-N 3.17Å; H187-T190 PolarHBondContact NE2-OG1 3.02Å; H187-T190 WeakPolarHBondContact O-CB 3.47Å; H187-T190 PolarHBondContact O-N 3.15Å; H187-T190 PolarHBondContact O-OG1 2.97Å; H187-V294 PolarHBondContact NE2-O 3.31Å; H187-L413 HydrophobicContact CB-CB 3.73Å; H187-S414 VanDerWaalsContact CA-OG 3.31Å; H187-S414 WeakPolarHBondContact CA-OG 3.28Å; H187-S414 WeakPolarHBondContact CB-OG 3.4Å |
| 188 | P | 96.1 | Very high | 96 | Very high | 21 Ų | 21 | 14.7 Ų | 14.7 | 14% | 0.136 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.9 | -171.9 | -25.5 | 34.5 | 0 | 0 | 0 | 114 | L68 S109 L110 L413 | L68-P188 HydrophobicContact CD2-CB 4.16Å; S109-P188 PolarHBondContact OG-O 2.74Å; S109-P188 VanDerWaalsContact OG-O 3.09Å; L110-P188 HydrophobicContact CB-CB 4.17Å; L110-P188 HydrophobicContact CD1-CB 3.75Å; L110-P188 HydrophobicContact CG-CB 3.77Å; L110-P188 PolarHBondContact N-O 3.36Å; P188-L413 WeakPolarHBondContact CD-O 3.21Å |
| 189 | G | 96.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 18.2 Ų | 18.2 | 6% | 0.062 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 3.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116.2 | H187 I191 G192 A193 | H187-G189 PolarHBondContact ND1-N 3.08Å; H187-G189 PolarHBondContact O-N 2.83Å; G189-I191 PolarHBondContact O-N 3.33Å; G189-G192 PolarHBondContact O-N 3.3Å; G189-A193 WeakPolarHBondContact O-CB 3.29Å; G189-A193 PolarHBondContact O-N 2.97Å |
| 190 | T | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -54.8 | -51.8 | -173.2 | -62.3 | 0 | 0 | 0 | 0 | 112 | L186 H187 G192 A193 L194 F297 | L186-T190 HydrophobicContact CD2-CG2 4Å; L186-T190 HydrophobicContact CG-CG2 4.08Å; H187-T190 PolarHBondContact CD2-OG1 3.49Å; H187-T190 VanDerWaalsContact CE1-CA 3.48Å; H187-T190 WeakPolarHBondContact CE1-CA 3.38Å; H187-T190 PolarHBondContact CE1-N 3.08Å; H187-T190 PolarHBondContact N-OG1 2.88Å; H187-T190 VanDerWaalsContact N-OG1 3.16Å; H187-T190 PolarHBondContact ND1-N 3.17Å; H187-T190 PolarHBondContact NE2-OG1 3.02Å; H187-T190 WeakPolarHBondContact O-CB 3.47Å; H187-T190 PolarHBondContact O-N 3.15Å; H187-T190 PolarHBondContact O-OG1 2.97Å; T190-G192 PolarHBondContact O-N 3.36Å; T190-A193 PolarHBondContact O-N 2.76Å; T190-L194 HydrophobicContact CG2-CD1 3.88Å; T190-L194 HydrophobicContact CG2-CG 4.49Å; T190-L194 WeakPolarHBondContact O-CG 3.28Å; T190-L194 PolarHBondContact O-N 3.47Å; T190-F297 HydrophobicContact CG2-CE1 3.55Å; T190-F297 HydrophobicContact CG2-CZ 3.61Å; T190-F297 WeakPolarHBondContact OG1-CE1 3.17Å |
| 191 | I | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | -175.8 | -57.7 | 179.4 | 0 | 0 | 0 | 110.1 | V86 V88 Y111 L115 F117 L178 G189 A193 L194 T195 M250 | V86-I191 HydrophobicContact CB-CG2 4.28Å; V86-I191 HydrophobicContact CG1-CG2 4.16Å; V86-I191 HydrophobicContact CG2-CG2 4.14Å; V88-I191 HydrophobicContact CG2-CD1 3.89Å; Y111-I191 HydrophobicContact CD1-CG2 4.21Å; Y111-I191 HydrophobicContact CD2-CG2 4.19Å; Y111-I191 HydrophobicContact CE2-CG2 4.5Å; Y111-I191 HydrophobicContact CG-CB 4.37Å; Y111-I191 HydrophobicContact CG-CG2 4Å; L115-I191 HydrophobicContact CD1-CD1 4.02Å; L115-I191 HydrophobicContact CD2-CD1 4.01Å; L115-I191 HydrophobicContact CD2-CG2 4.09Å; F117-I191 HydrophobicContact CE1-CD1 4.45Å; L178-I191 HydrophobicContact CD2-CD1 4.37Å; L178-I191 HydrophobicContact CD2-CG1 3.86Å; G189-I191 PolarHBondContact O-N 3.33Å; I191-A193 VanDerWaalsContact C-N 3.34Å; I191-A193 PolarHBondContact O-N 3.07Å; I191-L194 PolarHBondContact O-N 3.18Å; I191-T195 WeakPolarHBondContact O-CB 3.48Å; I191-T195 PolarHBondContact O-N 2.93Å; I191-T195 PolarHBondContact O-OG1 3.08Å; I191-T195 VanDerWaalsContact O-OG1 3.04Å; I191-M250 HydrophobicContact CG2-CE 4.21Å |
| 192 | G | 96.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G189 T190 T196 | G189-G192 PolarHBondContact O-N 3.3Å; T190-G192 PolarHBondContact O-N 3.36Å; G192-T196 VanDerWaalsContact O-CB 3.24Å; G192-T196 WeakPolarHBondContact O-CB 2.89Å; G192-T196 PolarHBondContact O-N 3.47Å; G192-T196 PolarHBondContact O-OG1 2.77Å |
| 193 | A | 95.9 | Very high | 96.1 | Very high | 22 Ų | 22 | 35 Ų | 35 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G189 T190 I191 E197 V294 | G189-A193 WeakPolarHBondContact O-CB 3.29Å; G189-A193 PolarHBondContact O-N 2.97Å; T190-A193 PolarHBondContact O-N 2.76Å; I191-A193 VanDerWaalsContact C-N 3.34Å; I191-A193 PolarHBondContact O-N 3.07Å; A193-E197 WeakPolarHBondContact O-CG 3.35Å; A193-E197 PolarHBondContact O-N 3.11Å; A193-V294 HydrophobicContact CB-CG2 3.72Å |
| 194 | L | 97.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.3 | -52.9 | 176 | -64.9 | 167.9 | 0 | 0 | 0 | 110.5 | L178 T190 I191 T196 E197 M198 Q207 M250 P292 | L178-L194 HydrophobicContact CD1-CD1 3.94Å; L178-L194 HydrophobicContact CD2-CD1 4.4Å; T190-L194 HydrophobicContact CG2-CD1 3.88Å; T190-L194 HydrophobicContact CG2-CG 4.49Å; T190-L194 WeakPolarHBondContact O-CG 3.28Å; T190-L194 PolarHBondContact O-N 3.47Å; I191-L194 PolarHBondContact O-N 3.18Å; L194-T196 VanDerWaalsContact C-N 3.27Å; L194-T196 PolarHBondContact O-N 2.85Å; L194-E197 PolarHBondContact O-N 2.86Å; L194-M198 PolarHBondContact O-N 2.92Å; L194-Q207 VanDerWaalsContact C-OE1 3.3Å; L194-Q207 HydrophobicContact CD2-CB 3.87Å; L194-Q207 PolarHBondContact O-OE1 2.97Å; L194-M250 HydrophobicContact CB-CB 4.42Å; L194-M250 HydrophobicContact CB-CE 3.52Å; L194-M250 HydrophobicContact CB-SD 3.57Å; L194-M250 VanDerWaalsContact CB-SD 3.57Å; L194-M250 HydrophobicContact CD1-CB 4.42Å; L194-M250 HydrophobicContact CD1-CE 4.05Å; L194-M250 HydrophobicContact CG-CE 4.44Å; L194-P292 HydrophobicContact CD2-CG 4.01Å |
| 195 | T | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.6 | -40 | -179.7 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | P84 Y111 Y176 I191 E197 M198 E199 | P84-T195 HydrophobicContact CG-CG2 3.38Å; Y111-T195 HydrophobicContact CE2-CG2 4.12Å; Y176-T195 HydrophobicContact CD2-CG2 4.21Å; Y176-T195 HydrophobicContact CE2-CG2 4.17Å; I191-T195 WeakPolarHBondContact O-CB 3.48Å; I191-T195 PolarHBondContact O-N 2.93Å; I191-T195 PolarHBondContact O-OG1 3.08Å; I191-T195 VanDerWaalsContact O-OG1 3.04Å; T195-E197 VanDerWaalsContact C-N 3.27Å; T195-E197 PolarHBondContact O-N 3.46Å; T195-M198 PolarHBondContact O-N 2.88Å; T195-E199 HydrophobicContact CG2-CG 4.2Å; T195-E199 WeakPolarHBondContact O-CG 3.48Å; T195-E199 PolarHBondContact O-N 2.92Å |
| 196 | T | 95.6 | Very high | 96.9 | Very high | 40 Ų | 40 | 32 Ų | 32 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58 | -41.1 | 177 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | G192 L194 K200 | G192-T196 VanDerWaalsContact O-CB 3.24Å; G192-T196 WeakPolarHBondContact O-CB 2.89Å; G192-T196 PolarHBondContact O-N 3.47Å; G192-T196 PolarHBondContact O-OG1 2.77Å; L194-T196 VanDerWaalsContact C-N 3.27Å; L194-T196 PolarHBondContact O-N 2.85Å; T196-K200 HydrophobicContact CG2-CD 4.27Å; T196-K200 VanDerWaalsContact CG2-CE 3.49Å; T196-K200 WeakPolarHBondContact O-CB 3.49Å; T196-K200 VanDerWaalsContact O-CG 3.24Å; T196-K200 WeakPolarHBondContact O-CG 3.45Å; T196-K200 PolarHBondContact O-N 3.47Å; T196-K200 VanDerWaalsContact O-N 3.08Å |
| 197 | E | 95.8 | Very high | 96.9 | Very high | 68 Ų | 68 | 31.5 Ų | 31.5 | 32% | 0.318 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -73.6 | -38.3 | 178.4 | -65.6 | -56.4 | 121.1 | 0 | 0 | 112.1 | A193 L194 T195 E199 K200 N201 I204 P292 | A193-E197 WeakPolarHBondContact O-CG 3.35Å; A193-E197 PolarHBondContact O-N 3.11Å; L194-E197 PolarHBondContact O-N 2.86Å; T195-E197 VanDerWaalsContact C-N 3.27Å; T195-E197 PolarHBondContact O-N 3.46Å; E197-E199 VanDerWaalsContact C-N 3.34Å; E197-E199 PolarHBondContact O-N 2.92Å; E197-K200 PolarHBondContact O-N 3.46Å; E197-K200 IonicContact OE1-NZ 3.12Å; E197-K200 PolarHBondContact OE1-NZ 3.21Å; E197-N201 PolarHBondContact O-N 2.69Å; E197-I204 HydrophobicContact CB-CD1 4.49Å; E197-I204 WeakPolarHBondContact O-CD1 3.39Å; E197-P292 HydrophobicContact CG-CG 4.25Å |
| 198 | M | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.9 | -38.9 | 172.6 | -66.6 | -61.5 | -74.5 | 0 | 0 | 113.1 | Y176 L194 T195 N201 I204 Q207 M250 H252 | Y176-M198 HydrophobicContact CD1-CB 4.32Å; Y176-M198 HydrophobicContact CD1-CE 3.73Å; Y176-M198 HydrophobicContact CD1-CG 4.35Å; Y176-M198 HydrophobicContact CD2-CB 4.47Å; Y176-M198 HydrophobicContact CE1-CB 3.74Å; Y176-M198 HydrophobicContact CE1-CE 3.56Å; Y176-M198 HydrophobicContact CE1-CG 4.18Å; Y176-M198 HydrophobicContact CE2-CB 3.89Å; Y176-M198 PolarHBondContact OH-O 3.13Å; L194-M198 PolarHBondContact O-N 2.92Å; T195-M198 PolarHBondContact O-N 2.88Å; M198-N201 CarbonylContact O-C 3.59Å; M198-N201 VanDerWaalsContact O-C 3.31Å; M198-I204 HydrophobicContact CE-CG2 4.41Å; M198-I204 HydrophobicContact SD-CB 3.88Å; M198-I204 HydrophobicContact SD-CG2 3.48Å; M198-I204 WeakPolarHBondContact SD-CG2 3.18Å; M198-Q207 HydrophobicContact CG-CG 4.3Å; M198-Q207 VanDerWaalsContact CG-OE1 3.31Å; M198-Q207 HydrophobicContact SD-CG 3.56Å; M198-Q207 VanDerWaalsContact SD-CG 3.56Å; M198-M250 HydrophobicContact CG-CG 4.14Å; M198-M250 HydrophobicContact CG-SD 3.74Å; M198-H252 WeakPolarHBondContact CE-NE2 3.49Å |
| 199 | E | 96.8 | Very high | 97 | Very high | 75 Ų | 75 | 30 Ų | 30 | 35% | 0.35 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72.2 | -38.5 | 177.4 | -70.4 | -63.3 | 140.2 | 0 | 0 | 111.8 | P84 K175 Y176 T195 E197 N201 | P84-E199 WeakPolarHBondContact CG-OE1 3.45Å; K175-E199 WeakPolarHBondContact CD-OE1 3.24Å; K175-E199 VanDerWaalsContact CE-OE1 3.29Å; K175-E199 WeakPolarHBondContact CE-OE1 3.18Å; K175-E199 IonicContact NZ-OE1 3.3Å; K175-E199 PolarHBondContact NZ-OE1 3.39Å; K175-E199 IonicContact NZ-OE2 3.55Å; K175-E199 PolarHBondContact NZ-OE2 3.07Å; Y176-E199 HydrophobicContact CE2-CG 4.45Å; Y176-E199 WeakPolarHBondContact CE2-OE1 3.45Å; Y176-E199 PolarHBondContact OH-OE1 3.39Å; Y176-E199 VanDerWaalsContact OH-OE1 3.05Å; T195-E199 HydrophobicContact CG2-CG 4.2Å; T195-E199 WeakPolarHBondContact O-CG 3.48Å; T195-E199 PolarHBondContact O-N 2.92Å; E197-E199 VanDerWaalsContact C-N 3.34Å; E197-E199 PolarHBondContact O-N 2.92Å; E199-N201 VanDerWaalsContact C-N 3.32Å; E199-N201 PolarHBondContact O-N 3.37Å |
| 200 | K | 95.8 | Very high | 96.9 | Very high | 141 Ų | 141 | 29.9 Ų | 29.9 | 61% | 0.613 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -64.4 | -36.9 | 176.1 | -77.2 | 171.8 | -172.2 | 167.8 | 0 | 112.3 | T196 E197 | T196-K200 HydrophobicContact CG2-CD 4.27Å; T196-K200 VanDerWaalsContact CG2-CE 3.49Å; T196-K200 WeakPolarHBondContact O-CB 3.49Å; T196-K200 VanDerWaalsContact O-CG 3.24Å; T196-K200 WeakPolarHBondContact O-CG 3.45Å; T196-K200 PolarHBondContact O-N 3.47Å; T196-K200 VanDerWaalsContact O-N 3.08Å; E197-K200 PolarHBondContact O-N 3.46Å; E197-K200 IonicContact OE1-NZ 3.12Å; E197-K200 PolarHBondContact OE1-NZ 3.21Å |
| 201 | N | 97.3 | Very high | 96.9 | Very high | 53 Ų | 53 | 29.9 Ų | 29.9 | 28% | 0.283 | 15% | 0.154 | S | C | . | . | trans | -136 | 92.2 | -179.3 | -174.3 | 2 | 0 | 0 | 0 | 112 | E197 M198 E199 E203 I204 L288 | E197-N201 PolarHBondContact O-N 2.69Å; M198-N201 CarbonylContact O-C 3.59Å; M198-N201 VanDerWaalsContact O-C 3.31Å; E199-N201 VanDerWaalsContact C-N 3.32Å; E199-N201 PolarHBondContact O-N 3.37Å; N201-E203 PolarHBondContact O-N 3.16Å; N201-E203 VanDerWaalsContact OD1-CB 3.24Å; N201-E203 WeakPolarHBondContact OD1-CB 3.45Å; N201-E203 PolarHBondContact OD1-N 3.38Å; N201-I204 HydrophobicContact CB-CD1 3.9Å; N201-I204 HydrophobicContact CB-CG1 3.99Å; N201-I204 WeakPolarHBondContact O-CB 3.37Å; N201-I204 VanDerWaalsContact O-CG1 3.27Å; N201-I204 WeakPolarHBondContact O-CG1 3.5Å; N201-I204 PolarHBondContact O-N 2.89Å; N201-I204 VanDerWaalsContact O-N 3.11Å; N201-L288 WeakPolarHBondContact ND2-CD2 3.42Å | ||
| 202 | P | 96 | Very high | 96.8 | Very high | 84 Ų | 84 | 29.9 Ų | 29.9 | 55% | 0.545 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -6.4 | 175.7 | -22.3 | 34.3 | 0 | 0 | 0 | 115.1 | I204 H252 | P202-I204 VanDerWaalsContact C-N 3.28Å; P202-H252 PolarHBondContact O-NE2 2.93Å |
| 203 | E | 96.9 | Very high | 96.8 | Very high | 130 Ų | 130 | 29.8 Ų | 29.8 | 61% | 0.607 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -14.4 | 173.4 | -56.5 | -171.2 | 150.5 | 0 | 0 | 112.9 | N201 F205 R287 | N201-E203 PolarHBondContact O-N 3.16Å; N201-E203 VanDerWaalsContact OD1-CB 3.24Å; N201-E203 WeakPolarHBondContact OD1-CB 3.45Å; N201-E203 PolarHBondContact OD1-N 3.38Å; E203-F205 PolarHBondContact O-N 3.45Å; E203-F205 VanDerWaalsContact O-N 3.13Å; E203-R287 PolarHBondContact O-NH2 3.04Å |
| 204 | I | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 117 | 174.6 | -63.7 | 172.6 | 0 | 0 | 0 | 108.4 | E197 M198 N201 P202 Q207 H252 L288 T290 | E197-I204 HydrophobicContact CB-CD1 4.49Å; E197-I204 WeakPolarHBondContact O-CD1 3.39Å; M198-I204 HydrophobicContact CE-CG2 4.41Å; M198-I204 HydrophobicContact SD-CB 3.88Å; M198-I204 HydrophobicContact SD-CG2 3.48Å; M198-I204 WeakPolarHBondContact SD-CG2 3.18Å; N201-I204 HydrophobicContact CB-CD1 3.9Å; N201-I204 HydrophobicContact CB-CG1 3.99Å; N201-I204 WeakPolarHBondContact O-CB 3.37Å; N201-I204 VanDerWaalsContact O-CG1 3.27Å; N201-I204 WeakPolarHBondContact O-CG1 3.5Å; N201-I204 PolarHBondContact O-N 2.89Å; N201-I204 VanDerWaalsContact O-N 3.11Å; P202-I204 VanDerWaalsContact C-N 3.28Å; I204-Q207 HydrophobicContact CG2-CG 3.49Å; I204-Q207 VanDerWaalsContact CG2-CG 3.49Å; I204-H252 PolarHBondContact O-CD2 2.98Å; I204-H252 PolarHBondContact O-NE2 2.67Å; I204-L288 HydrophobicContact CG1-CD2 3.78Å; I204-L288 HydrophobicContact CG1-CG 4.36Å; I204-T290 HydrophobicContact CD1-CG2 4.07Å; I204-T290 HydrophobicContact CG1-CG2 3.93Å; I204-T290 HydrophobicContact CG2-CG2 4.42Å |
| 205 | F | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -39.1 | 176.9 | 169.4 | -113.4 | 0 | 0 | 0 | 111.7 | E203 M251 D255 Y261 V263 A282 R287 L288 | E203-F205 PolarHBondContact O-N 3.45Å; E203-F205 VanDerWaalsContact O-N 3.13Å; F205-M251 HydrophobicContact CD2-CE 4.22Å; F205-M251 HydrophobicContact CE1-CE 3.98Å; F205-M251 HydrophobicContact CE2-CE 3.65Å; F205-M251 HydrophobicContact CZ-CE 3.52Å; F205-D255 WeakPolarHBondContact CD2-OD2 3.41Å; F205-Y261 HydrophobicContact CD2-CD2 4.1Å; F205-Y261 HydrophobicContact CD2-CE2 4.11Å; F205-Y261 AromaticContact CE2-CD2 3.63Å; F205-Y261 HydrophobicContact CE2-CD2 3.63Å; F205-Y261 HydrophobicContact CE2-CE2 4.1Å; F205-V263 HydrophobicContact CE2-CG2 3.98Å; F205-V263 HydrophobicContact CZ-CG2 3.75Å; F205-A282 HydrophobicContact CD1-CB 3.74Å; F205-A282 HydrophobicContact CE1-CB 3.86Å; F205-R287 HydrophobicContact CB-CB 3.49Å; F205-R287 VanDerWaalsContact CB-CB 3.49Å; F205-R287 HydrophobicContact CB-CG 4.18Å; F205-R287 HydrophobicContact CD1-CB 3.87Å; F205-R287 HydrophobicContact CD1-CG 4.49Å; F205-R287 HydrophobicContact CD2-CB 4.37Å; F205-R287 HydrophobicContact CD2-CG 4.3Å; F205-R287 HydrophobicContact CG-CB 3.66Å; F205-R287 HydrophobicContact CG-CG 4.08Å; F205-L288 PolarHBondContact N-O 2.99Å |
| 206 | I | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.5 | 177.6 | -175.9 | 160.8 | 0 | 0 | 0 | 110.6 | L244 M249 M250 M251 L278 L288 I289 T290 | I206-L244 HydrophobicContact CD1-CD1 3.71Å; I206-L244 HydrophobicContact CD1-CD2 3.74Å; I206-L244 HydrophobicContact CD1-CG 4.34Å; I206-L244 HydrophobicContact CG1-CD1 3.98Å; I206-L244 HydrophobicContact CG2-CD1 4.32Å; I206-L244 HydrophobicContact CG2-CD2 4.38Å; I206-M249 HydrophobicContact CD1-CB 3.71Å; I206-M249 HydrophobicContact CD1-CG 3.82Å; I206-M249 HydrophobicContact CD1-SD 3.74Å; I206-M249 HydrophobicContact CG1-CB 4.19Å; I206-M250 CarbonylContact C-O 3.45Å; I206-M250 VanDerWaalsContact CA-O 3.32Å; I206-M250 WeakPolarHBondContact CA-O 3.36Å; I206-M251 HydrophobicContact CB-CG 3.88Å; I206-M251 HydrophobicContact CB-SD 4.5Å; I206-M251 HydrophobicContact CD1-CG 3.75Å; I206-M251 HydrophobicContact CD1-SD 3.71Å; I206-M251 HydrophobicContact CG1-CG 3.7Å; I206-M251 HydrophobicContact CG1-SD 4.31Å; I206-L278 HydrophobicContact CD1-CD1 4.03Å; I206-L288 PolarHBondContact N-O 3.03Å; I206-I289 HydrophobicContact CG2-CB 4.15Å; I206-I289 HydrophobicContact CG2-CD1 4.4Å; I206-I289 HydrophobicContact CG2-CG1 3.69Å; I206-I289 HydrophobicContact CG2-CG2 4.04Å; I206-I289 WeakPolarHBondContact O-CA 3.34Å; I206-T290 PolarHBondContact O-N 3.26Å |
| 207 | Q | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 144.6 | 165.5 | -57.4 | -160 | -80.2 | 0 | 0 | 110.9 | L194 M198 I204 M249 M250 T290 P292 | L194-Q207 VanDerWaalsContact C-OE1 3.3Å; L194-Q207 HydrophobicContact CD2-CB 3.87Å; L194-Q207 PolarHBondContact O-OE1 2.97Å; M198-Q207 HydrophobicContact CG-CG 4.3Å; M198-Q207 VanDerWaalsContact CG-OE1 3.31Å; M198-Q207 HydrophobicContact SD-CG 3.56Å; M198-Q207 VanDerWaalsContact SD-CG 3.56Å; I204-Q207 HydrophobicContact CG2-CG 3.49Å; I204-Q207 VanDerWaalsContact CG2-CG 3.49Å; Q207-M249 CarbonylContact O-C 3.57Å; Q207-M249 WeakPolarHBondContact O-CA 3.47Å; Q207-M250 HydrophobicContact CB-CB 4.28Å; Q207-M250 PolarHBondContact N-O 3.29Å; Q207-M250 PolarHBondContact O-N 3.4Å; Q207-T290 CarbonylContact C-O 3.51Å; Q207-T290 VanDerWaalsContact CA-O 3.24Å; Q207-T290 WeakPolarHBondContact CA-O 3.5Å; Q207-T290 WeakPolarHBondContact CG-OG1 3.39Å; Q207-T290 PolarHBondContact NE2-OG1 3.31Å; Q207-P292 VanDerWaalsContact NE2-CG 3.35Å |
| 208 | T | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 178.3 | 179.2 | -166.7 | 0 | 0 | 0 | 0 | 111.9 | F235 T241 L244 W245 C248 I289 T290 S291 P292 | T208-F235 HydrophobicContact CG2-CD1 3.87Å; T208-F235 HydrophobicContact CG2-CE1 3.62Å; T208-T241 HydrophobicContact CG2-CG2 4.48Å; T208-L244 HydrophobicContact CG2-CD1 3.97Å; T208-W245 PolarHBondContact OG1-N 3.1Å; T208-W245 PolarHBondContact OG1-O 2.93Å; T208-W245 VanDerWaalsContact OG1-O 3.05Å; T208-C248 WeakPolarHBondContact CA-O 3.46Å; T208-C248 WeakPolarHBondContact CB-O 3.34Å; T208-C248 PolarHBondContact OG1-O 3.24Å; T208-I289 HydrophobicContact CG2-CG2 4.4Å; T208-T290 PolarHBondContact N-O 2.58Å; T208-S291 WeakPolarHBondContact O-CA 3.2Å; T208-P292 WeakPolarHBondContact O-CD 3.39Å |
| 209 | G | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -138.7 | -159.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F235 A295 | G209-F235 VanDerWaalsContact O-CD1 3.31Å; G209-F235 WeakPolarHBondContact O-CD1 3.48Å; G209-F235 WeakPolarHBondContact O-CE1 3.27Å; G209-A295 CarbonylContact C-O 3.5Å; G209-A295 WeakPolarHBondContact CA-O 3.46Å | ||
| 210 | Y | 95.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132 | -176.4 | 176.7 | -114.7 | 0 | 0 | 0 | 111.4 | L212 H228 C231 F235 A295 V296 F297 | Y210-L212 PolarHBondContact O-N 3.3Å; Y210-H228 HydrophobicContact CE2-CB 4.43Å; Y210-H228 WeakPolarHBondContact CE2-O 3.41Å; Y210-H228 PolarHBondContact OH-O 2.9Å; Y210-C231 HydrophobicContact CE2-CB 4.31Å; Y210-F235 HydrophobicContact CD2-CB 4.38Å; Y210-F235 AromaticContact CD2-CD2 3.41Å; Y210-F235 HydrophobicContact CD2-CD2 3.41Å; Y210-F235 VanDerWaalsContact CD2-CD2 3.41Å; Y210-F235 AromaticContact CD2-CE2 3.99Å; Y210-F235 HydrophobicContact CD2-CE2 3.99Å; Y210-F235 HydrophobicContact CD2-CG 4.16Å; Y210-F235 HydrophobicContact CE2-CD2 4.25Å; Y210-F235 HydrophobicContact CG-CB 4.24Å; Y210-F235 HydrophobicContact CG-CD2 4.09Å; Y210-F235 HydrophobicContact CG-CG 4.41Å; Y210-A295 PolarHBondContact N-O 2.89Å; Y210-V296 HydrophobicContact CD1-CG2 4.15Å; Y210-V296 WeakPolarHBondContact O-CA 3.29Å; Y210-F297 PolarHBondContact O-N 3.49Å |
| 211 | P | 96.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.7 | 170.8 | 31.5 | -30.1 | 0 | 0 | 0 | 109.7 | V184 D213 W245 F297 H299 | V184-P211 HydrophobicContact CG1-CB 4.3Å; P211-D213 PolarHBondContact O-N 2.8Å; P211-W245 HydrophobicContact CB-CH2 4.11Å; P211-W245 HydrophobicContact CB-CZ2 3.68Å; P211-W245 HydrophobicContact CG-CD2 4.08Å; P211-W245 HydrophobicContact CG-CG 4.46Å; P211-W245 HydrophobicContact CG-CH2 4.46Å; P211-W245 HydrophobicContact CG-CZ2 3.8Å; P211-F297 CarbonylContact C-O 3.53Å; P211-F297 WeakPolarHBondContact CA-O 3.22Å; P211-H299 HydrophobicContact CB-CB 4.01Å |
| 212 | L | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 97.6 | 168 | 174.5 | 63.9 | 0 | 0 | 0 | 108.7 | Y210 L214 V296 F297 H299 T403 E406 V407 | Y210-L212 PolarHBondContact O-N 3.3Å; L212-L214 HydrophobicContact CD2-CD2 4.44Å; L212-L214 HydrophobicContact CG-CD2 4.28Å; L212-L214 PolarHBondContact O-N 2.95Å; L212-V296 HydrophobicContact CB-CG2 3.92Å; L212-F297 PolarHBondContact N-O 2.8Å; L212-H299 PolarHBondContact O-N 3.38Å; L212-T403 HydrophobicContact CD1-CG2 4.4Å; L212-E406 HydrophobicContact CD1-CB 4.25Å; L212-E406 HydrophobicContact CD2-CB 3.96Å; L212-V407 HydrophobicContact CD2-CG2 3.93Å |
| 213 | D | 95.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 134.4 | 178 | -64 | -40.1 | 0 | 0 | 0 | 111.7 | P211 P215 Y225 H228 H299 L301 Y425 | P211-D213 PolarHBondContact O-N 2.8Å; D213-P215 WeakPolarHBondContact O-CD 3.44Å; D213-Y225 HydrophobicContact CB-CD2 4.16Å; D213-H228 IonicContact OD1-ND1 2.7Å; D213-H228 PolarHBondContact OD1-ND1 3.04Å; D213-H228 WeakPolarHBondContact OD2-CB 3.24Å; D213-H228 IonicContact OD2-CE1 2.6Å; D213-H228 IonicContact OD2-CG 2.79Å; D213-H228 IonicContact OD2-ND1 3.4Å; D213-H228 PolarHBondContact OD2-ND1 3.11Å; D213-H299 WeakPolarHBondContact CA-O 3.42Å; D213-H299 IonicContact OD1-CE1 2.8Å; D213-H299 IonicContact OD1-CG 3.52Å; D213-H299 IonicContact OD1-ND1 3.56Å; D213-H299 PolarHBondContact OD1-ND1 3.37Å; D213-L301 HydrophobicContact CB-CD1 4.14Å; D213-L301 HydrophobicContact CB-CG 4.47Å; D213-Y425 PolarHBondContact O-OH 3.41Å |
| 214 | L | 94.6 | Very high | 95.5 | Very high | 27 Ų | 27 | 12.2 Ų | 12.2 | 14% | 0.141 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 98.6 | 173.9 | -50.9 | 175.9 | 0 | 0 | 0 | 108.8 | L212 P298 H299 L301 L420 | L212-L214 HydrophobicContact CD2-CD2 4.44Å; L212-L214 HydrophobicContact CG-CD2 4.28Å; L212-L214 PolarHBondContact O-N 2.95Å; L214-P298 HydrophobicContact CD1-CB 4.07Å; L214-H299 PolarHBondContact N-O 3.44Å; L214-L301 PolarHBondContact O-N 3.15Å; L214-L301 VanDerWaalsContact O-N 3.17Å; L214-L420 HydrophobicContact CD1-CD1 4.48Å; L214-L420 HydrophobicContact CD1-CD2 3.89Å |
| 215 | P | 94.5 | Very high | 95.4 | Very high | 12 Ų | 12 | 12.1 Ų | 12.1 | 8% | 0.078 | 8% | 0.082 | C | C | . | . | trans | -57.6 | 139.4 | 178.4 | -26.5 | 36 | 0 | 0 | 0 | 112.6 | D213 G217 Y222 Y225 Y425 | D213-P215 WeakPolarHBondContact O-CD 3.44Å; P215-G217 VanDerWaalsContact C-N 3.33Å; P215-Y222 HydrophobicContact CB-CD1 3.6Å; P215-Y222 HydrophobicContact CB-CD2 4.48Å; P215-Y222 HydrophobicContact CB-CE1 3.47Å; P215-Y222 VanDerWaalsContact CB-CE1 3.47Å; P215-Y222 HydrophobicContact CB-CE2 4.36Å; P215-Y222 HydrophobicContact CB-CG 4.12Å; P215-Y222 HydrophobicContact CG-CD1 3.6Å; P215-Y222 HydrophobicContact CG-CE1 3.68Å; P215-Y222 HydrophobicContact CG-CG 4.42Å; P215-Y225 HydrophobicContact CG-CD1 4.19Å; P215-Y225 HydrophobicContact CG-CD2 4.28Å; P215-Y225 HydrophobicContact CG-CG 3.77Å; P215-Y425 VanDerWaalsContact CD-CZ 3.45Å; P215-Y425 VanDerWaalsContact CD-OH 3.24Å; P215-Y425 WeakPolarHBondContact CD-OH 3.39Å; P215-Y425 HydrophobicContact CG-CE1 4.08Å | ||
| 216 | S | 90.7 | Very high | 95.3 | Very high | 49 Ų | 49 | 12.5 Ų | 12.5 | 34% | 0.343 | 8% | 0.083 | S | C | . | . | trans | -88.7 | -0.3 | 178.2 | 60 | 0 | 0 | 0 | 0 | 113.9 | S221 L301 A302 | S216-S221 PolarHBondContact N-OG 3.07Å; S216-L301 WeakPolarHBondContact CB-O 3.43Å; S216-A302 WeakPolarHBondContact CB-O 3.42Å; S216-A302 PolarHBondContact OG-O 3.45Å | ||
| 217 | G | 91.2 | Very high | 95.1 | Very high | 38 Ų | 38 | 14.1 Ų | 14.1 | 39% | 0.392 | 9% | 0.09 | S | C | . | . | S | Bend | trans | 102.8 | -4.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P215 S221 | P215-G217 VanDerWaalsContact C-N 3.33Å; G217-S221 PolarHBondContact N-OG 3.05Å |
| 218 | T | 92.6 | Very high | 95 | Very high | 38 Ų | 38 | 15.1 Ų | 15.1 | 23% | 0.233 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -84.6 | 150.4 | 173.7 | 66.3 | 0 | 0 | 0 | 0 | 111.1 | G220 S221 Y222 | T218-G220 VanDerWaalsContact C-N 3.29Å; T218-G220 PolarHBondContact O-N 2.85Å; T218-S221 PolarHBondContact N-OG 3.03Å; T218-S221 PolarHBondContact O-N 3.14Å; T218-S221 PolarHBondContact O-OG 3.4Å; T218-S221 WeakPolarHBondContact OG1-CB 3.31Å; T218-S221 PolarHBondContact OG1-N 3.17Å; T218-S221 PolarHBondContact OG1-OG 3.18Å; T218-Y222 VanDerWaalsContact O-CD2 3.24Å; T218-Y222 WeakPolarHBondContact O-CD2 3.47Å; T218-Y222 PolarHBondContact O-N 2.88Å; T218-Y222 VanDerWaalsContact O-N 3.16Å |
| 219 | L | 94 | Very high | 94.9 | Very high | 69 Ų | 69 | 15.1 Ų | 15.1 | 36% | 0.361 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -55.1 | -45.2 | 175.7 | 179 | 62.8 | 0 | 0 | 0 | 111.6 | S221 Y222 C223 V432 A433 | L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 3.05Å; L219-Y222 PolarHBondContact O-N 3.36Å; L219-C223 PolarHBondContact O-N 3.34Å; L219-C223 PolarHBondContact O-SG 3.47Å; L219-C223 VanDerWaalsContact O-SG 3.37Å; L219-V432 HydrophobicContact CD1-CB 4.47Å; L219-V432 HydrophobicContact CD1-CG1 3.99Å; L219-A433 HydrophobicContact CD1-CB 3.95Å |
| 220 | G | 94.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 17 Ų | 17 | 11% | 0.113 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.6 | -36.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | T218 Y222 C223 I224 L305 | T218-G220 VanDerWaalsContact C-N 3.29Å; T218-G220 PolarHBondContact O-N 2.85Å; G220-Y222 VanDerWaalsContact C-N 3.33Å; G220-C223 PolarHBondContact O-N 3.23Å; G220-I224 WeakPolarHBondContact O-CG1 3.24Å; G220-I224 PolarHBondContact O-N 2.99Å; G220-I224 VanDerWaalsContact O-N 3.08Å; G220-L305 VanDerWaalsContact C-CD2 3.46Å |
| 221 | S | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69 | -32.9 | 176.9 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | S216 G217 T218 L219 Y225 L301 | S216-S221 PolarHBondContact N-OG 3.07Å; G217-S221 PolarHBondContact N-OG 3.05Å; T218-S221 PolarHBondContact N-OG 3.03Å; T218-S221 PolarHBondContact O-N 3.14Å; T218-S221 PolarHBondContact O-OG 3.4Å; T218-S221 WeakPolarHBondContact OG1-CB 3.31Å; T218-S221 PolarHBondContact OG1-N 3.17Å; T218-S221 PolarHBondContact OG1-OG 3.18Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 3.05Å; S221-Y225 PolarHBondContact O-N 2.86Å; S221-Y225 VanDerWaalsContact O-N 3.15Å; S221-L301 VanDerWaalsContact O-CD1 3.25Å; S221-L301 WeakPolarHBondContact O-CD1 3.27Å |
| 222 | Y | 96.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72.9 | -34.1 | 172.3 | -73.2 | -67.5 | 0 | 0 | 0 | 112.3 | P215 T218 L219 G220 Y225 E226 T424 Y425 N426 L429 V430 | P215-Y222 HydrophobicContact CB-CD1 3.6Å; P215-Y222 HydrophobicContact CB-CD2 4.48Å; P215-Y222 HydrophobicContact CB-CE1 3.47Å; P215-Y222 VanDerWaalsContact CB-CE1 3.47Å; P215-Y222 HydrophobicContact CB-CE2 4.36Å; P215-Y222 HydrophobicContact CB-CG 4.12Å; P215-Y222 HydrophobicContact CG-CD1 3.6Å; P215-Y222 HydrophobicContact CG-CE1 3.68Å; P215-Y222 HydrophobicContact CG-CG 4.42Å; T218-Y222 VanDerWaalsContact O-CD2 3.24Å; T218-Y222 WeakPolarHBondContact O-CD2 3.47Å; T218-Y222 PolarHBondContact O-N 2.88Å; T218-Y222 VanDerWaalsContact O-N 3.16Å; L219-Y222 PolarHBondContact O-N 3.36Å; G220-Y222 VanDerWaalsContact C-N 3.33Å; Y222-Y225 HydrophobicContact CD1-CD1 4.45Å; Y222-Y225 PolarHBondContact O-N 3.33Å; Y222-E226 VanDerWaalsContact O-CB 3.29Å; Y222-E226 WeakPolarHBondContact O-CB 3.22Å; Y222-E226 PolarHBondContact O-N 3.18Å; Y222-T424 PolarHBondContact OH-O 3.4Å; Y222-Y425 HydrophobicContact CE1-CD1 4.33Å; Y222-Y425 WeakPolarHBondContact OH-CA 3.29Å; Y222-N426 HydrophobicContact CE2-CB 4.43Å; Y222-N426 PolarHBondContact OH-N 2.91Å; Y222-L429 HydrophobicContact CD2-CB 3.79Å; Y222-L429 HydrophobicContact CD2-CD1 4.27Å; Y222-L429 HydrophobicContact CE2-CB 3.93Å; Y222-L429 HydrophobicContact CE2-CD1 3.96Å; Y222-L429 HydrophobicContact CG-CB 4.44Å; Y222-V430 HydrophobicContact CD1-CG2 3.52Å; Y222-V430 HydrophobicContact CE1-CG2 3.72Å; Y222-V430 HydrophobicContact CG-CG2 4.41Å |
| 223 | C | 97 | Very high | 94.5 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 174.1 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | L219 G220 E226 Y227 Y310 D437 | L219-C223 PolarHBondContact O-N 3.34Å; L219-C223 PolarHBondContact O-SG 3.47Å; L219-C223 VanDerWaalsContact O-SG 3.37Å; G220-C223 PolarHBondContact O-N 3.23Å; C223-E226 PolarHBondContact O-N 3.47Å; C223-Y227 VanDerWaalsContact O-CB 3.27Å; C223-Y227 WeakPolarHBondContact O-CB 3.19Å; C223-Y227 PolarHBondContact O-N 2.7Å; C223-Y310 HydrophobicContact CB-CD2 3.92Å; C223-Y310 HydrophobicContact CB-CE1 4.49Å; C223-Y310 HydrophobicContact CB-CE2 3.27Å; C223-D437 HydrophobicContact CB-CB 4.01Å |
| 224 | I | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.6 | -49.4 | 173.8 | -65.3 | 177 | 0 | 0 | 0 | 111.1 | G220 E226 Y227 H228 L301 L305 Y310 Y313 L484 | G220-I224 WeakPolarHBondContact O-CG1 3.24Å; G220-I224 PolarHBondContact O-N 2.99Å; G220-I224 VanDerWaalsContact O-N 3.08Å; I224-E226 VanDerWaalsContact C-N 3.29Å; I224-E226 PolarHBondContact O-N 3.29Å; I224-Y227 WeakPolarHBondContact O-CB 3.32Å; I224-Y227 PolarHBondContact O-N 3.47Å; I224-H228 PolarHBondContact O-N 3.08Å; I224-H228 VanDerWaalsContact O-N 3.13Å; I224-L301 HydrophobicContact CB-CD1 3.94Å; I224-L301 HydrophobicContact CD1-CD2 4.47Å; I224-L301 HydrophobicContact CG2-CD1 3.93Å; I224-L301 HydrophobicContact CG2-CD2 4.02Å; I224-L305 HydrophobicContact CD1-CD2 3.61Å; I224-L305 HydrophobicContact CG1-CD2 4.49Å; I224-Y310 HydrophobicContact CG1-CD2 4.14Å; I224-Y313 HydrophobicContact CB-CE1 4.25Å; I224-Y313 HydrophobicContact CD1-CD1 4.02Å; I224-Y313 HydrophobicContact CD1-CD2 4.41Å; I224-Y313 HydrophobicContact CD1-CE1 4.31Å; I224-Y313 HydrophobicContact CD1-CG 4.08Å; I224-Y313 HydrophobicContact CG1-CD1 3.68Å; I224-Y313 HydrophobicContact CG1-CE1 3.68Å; I224-Y313 HydrophobicContact CG1-CG 4.26Å; I224-Y313 HydrophobicContact CG2-CE1 4.04Å; I224-Y313 HydrophobicContact CG2-CE2 4.36Å; I224-L484 HydrophobicContact CD1-CD2 3.48Å; I224-L484 VanDerWaalsContact CD1-CD2 3.48Å |
| 225 | Y | 96.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.6 | -44.8 | 177.5 | 161 | -102.4 | 0 | 0 | 0 | 111.7 | D213 P215 S221 Y222 H228 M229 M399 T403 Y425 V430 | D213-Y225 HydrophobicContact CB-CD2 4.16Å; P215-Y225 HydrophobicContact CG-CD1 4.19Å; P215-Y225 HydrophobicContact CG-CD2 4.28Å; P215-Y225 HydrophobicContact CG-CG 3.77Å; S221-Y225 PolarHBondContact O-N 2.86Å; S221-Y225 VanDerWaalsContact O-N 3.15Å; Y222-Y225 HydrophobicContact CD1-CD1 4.45Å; Y222-Y225 PolarHBondContact O-N 3.33Å; Y225-H228 PolarHBondContact O-N 3.11Å; Y225-M229 HydrophobicContact CD2-CG 4.15Å; Y225-M229 HydrophobicContact CE1-CG 4.38Å; Y225-M229 HydrophobicContact CE2-CG 3.78Å; Y225-M229 HydrophobicContact CE2-SD 3.82Å; Y225-M229 WeakPolarHBondContact O-CG 3.25Å; Y225-M229 PolarHBondContact O-N 3.19Å; Y225-M229 VanDerWaalsContact O-N 3.15Å; Y225-M399 HydrophobicContact CD1-CE 4.01Å; Y225-M399 HydrophobicContact CE1-CE 3.37Å; Y225-M399 HydrophobicContact CE1-SD 4.42Å; Y225-T403 HydrophobicContact CE2-CG2 4.06Å; Y225-T403 WeakPolarHBondContact OH-CB 3.47Å; Y225-T403 PolarHBondContact OH-OG1 3.41Å; Y225-Y425 HydrophobicContact CD2-CE1 4.4Å; Y225-Y425 HydrophobicContact CE1-CE1 4.21Å; Y225-Y425 AromaticContact CE2-CE1 3.96Å; Y225-Y425 HydrophobicContact CE2-CE1 3.96Å; Y225-Y425 AromaticContact CZ-CE1 3.85Å; Y225-V430 HydrophobicContact CE1-CG1 4.2Å; Y225-V430 HydrophobicContact CE1-CG2 4.23Å |
| 226 | E | 95.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 177.9 | -171.8 | -85.8 | 162 | 0 | 0 | 112.5 | Y222 C223 I224 H228 M229 P230 M399 M434 D437 N438 | Y222-E226 VanDerWaalsContact O-CB 3.29Å; Y222-E226 WeakPolarHBondContact O-CB 3.22Å; Y222-E226 PolarHBondContact O-N 3.18Å; C223-E226 PolarHBondContact O-N 3.47Å; I224-E226 VanDerWaalsContact C-N 3.29Å; I224-E226 PolarHBondContact O-N 3.29Å; E226-H228 VanDerWaalsContact C-N 3.26Å; E226-H228 PolarHBondContact O-N 3.13Å; E226-M229 PolarHBondContact O-N 2.69Å; E226-P230 WeakPolarHBondContact O-CD 3.44Å; E226-M399 HydrophobicContact CB-CE 4.43Å; E226-M399 HydrophobicContact CG-CE 4.34Å; E226-M434 HydrophobicContact CB-CG 4.44Å; E226-M434 HydrophobicContact CG-CB 3.93Å; E226-M434 HydrophobicContact CG-CG 3.29Å; E226-D437 WeakPolarHBondContact OE2-CB 3.38Å; E226-N438 PolarHBondContact OE1-ND2 3.15Å |
| 227 | Y | 95.7 | Very high | 94 | Very high | 34 Ų | 34 | 20.8 Ų | 20.8 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -53.9 | -41.9 | 176.6 | 174.4 | -97.1 | 0 | 0 | 0 | 112.6 | C223 I224 Y313 L314 Q317 Y441 | C223-Y227 VanDerWaalsContact O-CB 3.27Å; C223-Y227 WeakPolarHBondContact O-CB 3.19Å; C223-Y227 PolarHBondContact O-N 2.7Å; I224-Y227 WeakPolarHBondContact O-CB 3.32Å; I224-Y227 PolarHBondContact O-N 3.47Å; Y227-Y313 HydrophobicContact CD1-CE1 4.21Å; Y227-Y313 WeakPolarHBondContact CD1-OH 3.44Å; Y227-L314 HydrophobicContact CD2-CD1 4.31Å; Y227-L314 HydrophobicContact CE2-CD1 4.46Å; Y227-Q317 HydrophobicContact CD1-CG 4.29Å; Y227-Q317 HydrophobicContact CE1-CB 3.99Å; Y227-Q317 HydrophobicContact CE1-CG 3.58Å; Y227-Q317 HydrophobicContact CE2-CB 4.4Å; Y227-Q317 WeakPolarHBondContact OH-CB 3.24Å; Y227-Y441 HydrophobicContact CE2-CD2 4.03Å; Y227-Y441 HydrophobicContact CE2-CE2 4.01Å |
| 228 | H | 95.2 | Very high | 93.5 | Very high | 22 Ų | 22 | 21.1 Ų | 21.1 | 10% | 0.102 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -82.3 | -18.1 | 179.3 | -77.1 | 164.5 | 0 | 0 | 0 | 114.3 | Y210 D213 I224 Y225 E226 C231 S232 Y313 | Y210-H228 HydrophobicContact CE2-CB 4.43Å; Y210-H228 WeakPolarHBondContact CE2-O 3.41Å; Y210-H228 PolarHBondContact OH-O 2.9Å; D213-H228 IonicContact OD1-ND1 2.7Å; D213-H228 PolarHBondContact OD1-ND1 3.04Å; D213-H228 WeakPolarHBondContact OD2-CB 3.24Å; D213-H228 IonicContact OD2-CE1 2.6Å; D213-H228 IonicContact OD2-CG 2.79Å; D213-H228 IonicContact OD2-ND1 3.4Å; D213-H228 PolarHBondContact OD2-ND1 3.11Å; I224-H228 PolarHBondContact O-N 3.08Å; I224-H228 VanDerWaalsContact O-N 3.13Å; Y225-H228 PolarHBondContact O-N 3.11Å; E226-H228 VanDerWaalsContact C-N 3.26Å; E226-H228 PolarHBondContact O-N 3.13Å; H228-C231 VanDerWaalsContact O-CB 3.29Å; H228-C231 WeakPolarHBondContact O-CB 3.37Å; H228-C231 PolarHBondContact O-N 3.19Å; H228-S232 PolarHBondContact O-N 3.29Å; H228-Y313 PolarHBondContact CE1-OH 2.88Å; H228-Y313 PolarHBondContact NE2-OH 2.97Å |
| 229 | M | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.4 | -38.2 | -175 | -85.3 | -66.8 | -60.8 | 0 | 0 | 113.3 | W41 Y225 E226 C231 S232 M399 L402 T403 | W41-M229 HydrophobicContact CZ2-CB 4.04Å; W41-M229 PolarHBondContact NE1-O 3.21Å; Y225-M229 HydrophobicContact CD2-CG 4.15Å; Y225-M229 HydrophobicContact CE1-CG 4.38Å; Y225-M229 HydrophobicContact CE2-CG 3.78Å; Y225-M229 HydrophobicContact CE2-SD 3.82Å; Y225-M229 WeakPolarHBondContact O-CG 3.25Å; Y225-M229 PolarHBondContact O-N 3.19Å; Y225-M229 VanDerWaalsContact O-N 3.15Å; E226-M229 PolarHBondContact O-N 2.69Å; M229-C231 PolarHBondContact O-N 3.33Å; M229-S232 VanDerWaalsContact O-CB 3.3Å; M229-S232 WeakPolarHBondContact O-CB 3.33Å; M229-S232 PolarHBondContact O-N 3.08Å; M229-S232 VanDerWaalsContact O-N 3.16Å; M229-S232 PolarHBondContact O-OG 3.13Å; M229-M399 HydrophobicContact CB-CE 3.77Å; M229-M399 HydrophobicContact CE-CG 3.71Å; M229-M399 HydrophobicContact CG-CE 3.55Å; M229-L402 HydrophobicContact CE-CB 4.45Å; M229-L402 HydrophobicContact CE-CD2 3.86Å; M229-L402 HydrophobicContact CE-CG 4.24Å; M229-T403 WeakPolarHBondContact CE-OG1 3.36Å |
| 230 | P | 94.9 | Very high | 93.4 | Very high | 39 Ų | 39 | 25 Ų | 25 | 25% | 0.253 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.7 | -33.8 | 170.7 | -28.3 | 35.8 | 0 | 0 | 0 | 113.5 | L37 W41 E226 S232 M233 | L37-P230 HydrophobicContact CD2-CB 4.24Å; L37-P230 HydrophobicContact CD2-CG 4.21Å; W41-P230 HydrophobicContact CZ2-CG 4.4Å; E226-P230 WeakPolarHBondContact O-CD 3.44Å; P230-S232 PolarHBondContact O-N 3.3Å; P230-M233 HydrophobicContact CB-CE 3.9Å; P230-M233 WeakPolarHBondContact O-CB 3.41Å; P230-M233 WeakPolarHBondContact O-CE 3.36Å; P230-M233 WeakPolarHBondContact O-CG 3.28Å; P230-M233 PolarHBondContact O-N 3.02Å |
| 231 | C | 93.2 | Very high | 93.4 | Very high | 32 Ų | 32 | 24.8 Ų | 24.8 | 22% | 0.216 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -28.2 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | Y210 H228 M229 M233 G234 F235 | Y210-C231 HydrophobicContact CE2-CB 4.31Å; H228-C231 VanDerWaalsContact O-CB 3.29Å; H228-C231 WeakPolarHBondContact O-CB 3.37Å; H228-C231 PolarHBondContact O-N 3.19Å; M229-C231 PolarHBondContact O-N 3.33Å; C231-M233 PolarHBondContact O-N 3.16Å; C231-M233 VanDerWaalsContact O-N 3.11Å; C231-G234 PolarHBondContact O-N 3.07Å; C231-F235 HydrophobicContact CB-CD2 4.3Å; C231-F235 HydrophobicContact CB-CE2 4Å; C231-F235 WeakPolarHBondContact O-CD2 3.27Å; C231-F235 PolarHBondContact O-N 3.07Å |
| 232 | S | 92.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.3 | -32.4 | 177.5 | 71.4 | 0 | 0 | 0 | 0 | 112.8 | H228 M229 P230 G234 F235 A236 L402 | H228-S232 PolarHBondContact O-N 3.29Å; M229-S232 VanDerWaalsContact O-CB 3.3Å; M229-S232 WeakPolarHBondContact O-CB 3.33Å; M229-S232 PolarHBondContact O-N 3.08Å; M229-S232 VanDerWaalsContact O-N 3.16Å; M229-S232 PolarHBondContact O-OG 3.13Å; P230-S232 PolarHBondContact O-N 3.3Å; S232-G234 VanDerWaalsContact C-N 3.27Å; S232-G234 PolarHBondContact O-N 2.91Å; S232-F235 PolarHBondContact O-N 3.41Å; S232-A236 VanDerWaalsContact O-CB 3.24Å; S232-A236 WeakPolarHBondContact O-CB 3.28Å; S232-A236 PolarHBondContact O-N 3.17Å; S232-L402 VanDerWaalsContact OG-CD2 3.25Å; S232-L402 WeakPolarHBondContact OG-CD2 3.33Å |
| 233 | M | 93.7 | Very high | 93 | Very high | 57 Ų | 57 | 37 Ų | 37 | 28% | 0.281 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.3 | -37.7 | 177.2 | -56.6 | -176 | -75.9 | 0 | 0 | 111.7 | L37 G40 P230 C231 | L37-M233 HydrophobicContact CD2-CE 3.78Å; G40-M233 WeakPolarHBondContact CA-SD 3.49Å; P230-M233 HydrophobicContact CB-CE 3.9Å; P230-M233 WeakPolarHBondContact O-CB 3.41Å; P230-M233 WeakPolarHBondContact O-CE 3.36Å; P230-M233 WeakPolarHBondContact O-CG 3.28Å; P230-M233 PolarHBondContact O-N 3.02Å; C231-M233 PolarHBondContact O-N 3.16Å; C231-M233 VanDerWaalsContact O-N 3.11Å |
| 234 | G | 92.4 | Very high | 93 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.4 | -27.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C231 S232 T237 T241 | C231-G234 PolarHBondContact O-N 3.07Å; S232-G234 VanDerWaalsContact C-N 3.27Å; S232-G234 PolarHBondContact O-N 2.91Å; G234-T237 VanDerWaalsContact O-CG2 3.28Å; G234-T237 WeakPolarHBondContact O-CG2 3.33Å; G234-T241 WeakPolarHBondContact O-CB 3.24Å; G234-T241 PolarHBondContact O-OG1 2.9Å |
| 235 | F | 93.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -94 | -19.2 | -179.5 | -65 | -69.3 | 0 | 0 | 0 | 114 | T208 G209 Y210 C231 S232 T237 F243 W245 S291 | T208-F235 HydrophobicContact CG2-CD1 3.87Å; T208-F235 HydrophobicContact CG2-CE1 3.62Å; G209-F235 VanDerWaalsContact O-CD1 3.31Å; G209-F235 WeakPolarHBondContact O-CD1 3.48Å; G209-F235 WeakPolarHBondContact O-CE1 3.27Å; Y210-F235 HydrophobicContact CD2-CB 4.38Å; Y210-F235 AromaticContact CD2-CD2 3.41Å; Y210-F235 HydrophobicContact CD2-CD2 3.41Å; Y210-F235 VanDerWaalsContact CD2-CD2 3.41Å; Y210-F235 AromaticContact CD2-CE2 3.99Å; Y210-F235 HydrophobicContact CD2-CE2 3.99Å; Y210-F235 HydrophobicContact CD2-CG 4.16Å; Y210-F235 HydrophobicContact CE2-CD2 4.25Å; Y210-F235 HydrophobicContact CG-CB 4.24Å; Y210-F235 HydrophobicContact CG-CD2 4.09Å; Y210-F235 HydrophobicContact CG-CG 4.41Å; C231-F235 HydrophobicContact CB-CD2 4.3Å; C231-F235 HydrophobicContact CB-CE2 4Å; C231-F235 WeakPolarHBondContact O-CD2 3.27Å; C231-F235 PolarHBondContact O-N 3.07Å; S232-F235 PolarHBondContact O-N 3.41Å; F235-T237 VanDerWaalsContact C-N 3.34Å; F235-T237 PolarHBondContact O-N 3.15Å; F235-F243 HydrophobicContact CD1-CB 4.23Å; F235-F243 HydrophobicContact CE1-CB 3.7Å; F235-F243 HydrophobicContact CE2-CB 4.06Å; F235-F243 HydrophobicContact CZ-CB 3.61Å; F235-W245 HydrophobicContact CE1-CB 4.01Å; F235-W245 HydrophobicContact CE2-CB 4.32Å; F235-W245 HydrophobicContact CZ-CB 3.56Å; F235-S291 WeakPolarHBondContact O-CB 3.36Å; F235-S291 PolarHBondContact O-OG 3.16Å |
| 236 | A | 91.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | trans | -95.5 | 40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A44 V47 R48 S232 | A44-A236 HydrophobicContact CB-CB 3.58Å; V47-A236 WeakPolarHBondContact CB-O 3.49Å; V47-A236 WeakPolarHBondContact CG1-O 3.35Å; V47-A236 VanDerWaalsContact CG2-O 3.31Å; V47-A236 WeakPolarHBondContact CG2-O 3.45Å; R48-A236 HydrophobicContact CG-CB 4.4Å; S232-A236 VanDerWaalsContact O-CB 3.24Å; S232-A236 WeakPolarHBondContact O-CB 3.28Å; S232-A236 PolarHBondContact O-N 3.17Å | ||
| 237 | T | 86.7 | Confident | 92.7 | Very high | 67 Ų | 67 | 38.7 Ų | 38.7 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -88.9 | -9.1 | -177.2 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | G234 F235 R240 | G234-T237 VanDerWaalsContact O-CG2 3.28Å; G234-T237 WeakPolarHBondContact O-CG2 3.33Å; F235-T237 VanDerWaalsContact C-N 3.34Å; F235-T237 PolarHBondContact O-N 3.15Å; T237-R240 WeakPolarHBondContact CB-O 3.44Å; T237-R240 PolarHBondContact OG1-O 3.12Å |
| 238 | G | 81.4 | Confident | 92.8 | Very high | 46 Ų | 46 | 37 Ų | 37 | 47% | 0.474 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 90.9 | 2.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 239 | G | 89.5 | Confident | 93 | Very high | 18 Ų | 18 | 36 Ų | 36 | 19% | 0.186 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 155.2 | -102.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T241 T290 S291 | G239-T241 PolarHBondContact O-N 3.46Å; G239-T290 CarbonylContact O-C 3.53Å; G239-T290 WeakPolarHBondContact O-CA 3.37Å; G239-T290 WeakPolarHBondContact O-CB 3.47Å; G239-S291 PolarHBondContact O-N 3.39Å |
| 240 | R | 94.6 | Very high | 93.1 | Very high | 170 Ų | 170 | 36 Ų | 36 | 64% | 0.642 | 19% | 0.188 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 134.9 | -175.7 | -177.7 | 173.7 | -178.7 | -177.3 | 2.4 | 112.4 | T237 L288 I289 | T237-R240 WeakPolarHBondContact CB-O 3.44Å; T237-R240 PolarHBondContact OG1-O 3.12Å; R240-L288 HydrophobicContact CB-CD1 4.14Å; R240-L288 HydrophobicContact CG-CD1 3.75Å; R240-I289 WeakPolarHBondContact CA-O 3.25Å |
| 241 | T | 94.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 168.6 | 173.4 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | T208 G234 G239 F243 I289 | T208-T241 HydrophobicContact CG2-CG2 4.48Å; G234-T241 WeakPolarHBondContact O-CB 3.24Å; G234-T241 PolarHBondContact O-OG1 2.9Å; G239-T241 PolarHBondContact O-N 3.46Å; T241-F243 VanDerWaalsContact CG2-O 3.25Å; T241-F243 WeakPolarHBondContact CG2-O 3.38Å; T241-F243 PolarHBondContact OG1-N 3.42Å; T241-I289 HydrophobicContact CG2-CB 4.43Å; T241-I289 HydrophobicContact CG2-CG2 3.71Å; T241-I289 PolarHBondContact N-O 2.93Å; T241-I289 WeakPolarHBondContact O-CB 3.44Å |
| 242 | F | 91.4 | Very high | 93.6 | Very high | 163 Ų | 163 | 34 Ų | 34 | 72% | 0.715 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -108.2 | -6.9 | 166.9 | -59.8 | -78.4 | 0 | 0 | 0 | 111.9 | ||
| 243 | F | 91.7 | Very high | 93.9 | Very high | 96 Ų | 96 | 34 Ų | 34 | 42% | 0.421 | 17% | 0.172 | S | C | . | . | trans | -87 | 137.7 | 178.8 | -71.6 | -107.8 | 0 | 0 | 0 | 109.1 | F235 T241 | F235-F243 HydrophobicContact CD1-CB 4.23Å; F235-F243 HydrophobicContact CE1-CB 3.7Å; F235-F243 HydrophobicContact CE2-CB 4.06Å; F235-F243 HydrophobicContact CZ-CB 3.61Å; T241-F243 VanDerWaalsContact CG2-O 3.25Å; T241-F243 WeakPolarHBondContact CG2-O 3.38Å; T241-F243 PolarHBondContact OG1-N 3.42Å | ||
| 244 | L | 95.5 | Very high | 94.1 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | trans | -130.2 | 128.6 | 174.4 | -173.4 | 54.2 | 0 | 0 | 0 | 108.3 | I206 T208 M249 D275 L278 A279 I289 | I206-L244 HydrophobicContact CD1-CD1 3.71Å; I206-L244 HydrophobicContact CD1-CD2 3.74Å; I206-L244 HydrophobicContact CD1-CG 4.34Å; I206-L244 HydrophobicContact CG1-CD1 3.98Å; I206-L244 HydrophobicContact CG2-CD1 4.32Å; I206-L244 HydrophobicContact CG2-CD2 4.38Å; T208-L244 HydrophobicContact CG2-CD1 3.97Å; L244-M249 HydrophobicContact CD1-CG 4.18Å; L244-M249 HydrophobicContact CD1-SD 4.27Å; L244-M249 HydrophobicContact CD2-SD 4.3Å; L244-M249 HydrophobicContact CG-SD 4.27Å; L244-D275 HydrophobicContact CB-CB 4.39Å; L244-D275 HydrophobicContact CD2-CB 4.41Å; L244-D275 WeakPolarHBondContact CD2-O 3.17Å; L244-D275 HydrophobicContact CG-CB 4Å; L244-L278 HydrophobicContact CD2-CB 3.66Å; L244-A279 HydrophobicContact CB-CB 4.04Å; L244-A279 HydrophobicContact CD2-CB 4.16Å; L244-I289 HydrophobicContact CD1-CG2 4.37Å | ||
| 245 | W | 95.4 | Very high | 94.4 | Very high | 32 Ų | 32 | 34 Ų | 34 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | trans | -112.9 | 126.1 | 174 | 167.8 | 60.2 | 0 | 0 | 0 | 109.7 | V184 T208 P211 F235 G247 C248 M249 F297 | V184-W245 HydrophobicContact CB-CH2 4.28Å; V184-W245 HydrophobicContact CG1-CH2 3.51Å; V184-W245 HydrophobicContact CG1-CZ2 3.73Å; V184-W245 HydrophobicContact CG2-CH2 4.05Å; T208-W245 PolarHBondContact OG1-N 3.1Å; T208-W245 PolarHBondContact OG1-O 2.93Å; T208-W245 VanDerWaalsContact OG1-O 3.05Å; P211-W245 HydrophobicContact CB-CH2 4.11Å; P211-W245 HydrophobicContact CB-CZ2 3.68Å; P211-W245 HydrophobicContact CG-CD2 4.08Å; P211-W245 HydrophobicContact CG-CG 4.46Å; P211-W245 HydrophobicContact CG-CH2 4.46Å; P211-W245 HydrophobicContact CG-CZ2 3.8Å; F235-W245 HydrophobicContact CE1-CB 4.01Å; F235-W245 HydrophobicContact CE2-CB 4.32Å; F235-W245 HydrophobicContact CZ-CB 3.56Å; W245-G247 VanDerWaalsContact CE2-CA 3.48Å; W245-G247 VanDerWaalsContact CH2-C 3.45Å; W245-G247 VanDerWaalsContact CZ2-CA 3.43Å; W245-G247 VanDerWaalsContact CZ3-C 3.46Å; W245-G247 PolarHBondContact O-N 3.04Å; W245-G247 VanDerWaalsContact O-N 3.11Å; W245-C248 HydrophobicContact CE3-CB 3.95Å; W245-C248 HydrophobicContact CH2-CB 4.36Å; W245-C248 HydrophobicContact CZ3-CB 3.47Å; W245-C248 VanDerWaalsContact CZ3-CB 3.47Å; W245-M249 WeakPolarHBondContact O-CG 3.16Å; W245-F297 HydrophobicContact CH2-CD2 4.2Å; W245-F297 AromaticContact CZ3-CD2 3.7Å; W245-F297 HydrophobicContact CZ3-CD2 3.7Å; W245-F297 HydrophobicContact CZ3-CE2 4.15Å | ||
| 246 | G | 93.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -5.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K159 D275 | K159-G246 PolarHBondContact NZ-O 3.32Å; K159-G246 VanDerWaalsContact NZ-O 3.09Å; G246-D275 PolarHBondContact N-OD2 3.03Å; G246-D275 VanDerWaalsContact N-OD2 3.13Å |
| 247 | G | 94.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -5.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L180 D181 W245 | L180-G247 WeakPolarHBondContact CA-O 3.45Å; D181-G247 PolarHBondContact N-O 3.24Å; D181-G247 WeakPolarHBondContact OD2-CA 3.3Å; W245-G247 VanDerWaalsContact CE2-CA 3.48Å; W245-G247 VanDerWaalsContact CH2-C 3.45Å; W245-G247 VanDerWaalsContact CZ2-CA 3.43Å; W245-G247 VanDerWaalsContact CZ3-C 3.46Å; W245-G247 PolarHBondContact O-N 3.04Å; W245-G247 VanDerWaalsContact O-N 3.11Å |
| 248 | C | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 113.4 | 164.5 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | F179 L180 T208 W245 F297 | F179-C248 CarbonylContact O-C 3.59Å; F179-C248 VanDerWaalsContact O-CA 3.31Å; F179-C248 WeakPolarHBondContact O-CA 3.18Å; L180-C248 HydrophobicContact CD2-CB 4.06Å; T208-C248 WeakPolarHBondContact CA-O 3.46Å; T208-C248 WeakPolarHBondContact CB-O 3.34Å; T208-C248 PolarHBondContact OG1-O 3.24Å; W245-C248 HydrophobicContact CE3-CB 3.95Å; W245-C248 HydrophobicContact CH2-CB 4.36Å; W245-C248 HydrophobicContact CZ3-CB 3.47Å; W245-C248 VanDerWaalsContact CZ3-CB 3.47Å; C248-F297 HydrophobicContact CB-CD2 4.3Å; C248-F297 HydrophobicContact CB-CE2 3.65Å; C248-F297 HydrophobicContact CB-CZ 4.44Å |
| 249 | M | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 108.4 | -178.1 | -63.8 | -173.5 | -63.8 | 0 | 0 | 111.1 | L178 F179 I206 Q207 L244 W245 D274 L278 | L178-M249 CarbonylContact C-O 3.58Å; L178-M249 WeakPolarHBondContact CA-O 3.25Å; F179-M249 HydrophobicContact CB-CB 4.27Å; F179-M249 HydrophobicContact CB-CE 4.18Å; F179-M249 HydrophobicContact CD2-CB 4.21Å; F179-M249 HydrophobicContact CD2-CE 4.42Å; F179-M249 PolarHBondContact N-O 3.08Å; F179-M249 PolarHBondContact O-N 2.88Å; I206-M249 HydrophobicContact CD1-CB 3.71Å; I206-M249 HydrophobicContact CD1-CG 3.82Å; I206-M249 HydrophobicContact CD1-SD 3.74Å; I206-M249 HydrophobicContact CG1-CB 4.19Å; Q207-M249 CarbonylContact O-C 3.57Å; Q207-M249 WeakPolarHBondContact O-CA 3.47Å; L244-M249 HydrophobicContact CD1-CG 4.18Å; L244-M249 HydrophobicContact CD1-SD 4.27Å; L244-M249 HydrophobicContact CD2-SD 4.3Å; L244-M249 HydrophobicContact CG-SD 4.27Å; W245-M249 WeakPolarHBondContact O-CG 3.16Å; M249-D274 HydrophobicContact CE-CB 4.13Å; M249-D274 VanDerWaalsContact CE-OD2 3.28Å; M249-D274 WeakPolarHBondContact CE-OD2 3.45Å; M249-L278 HydrophobicContact CE-CD1 4.06Å; M249-L278 HydrophobicContact SD-CD1 3.78Å |
| 250 | M | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129 | 171.3 | -172.6 | 171.7 | -75.7 | 0 | 0 | 110.4 | V86 Y176 V177 L178 I191 L194 M198 I206 Q207 | V86-M250 HydrophobicContact CG1-CE 4.13Å; Y176-M250 HydrophobicContact CG-SD 4.47Å; V177-M250 CarbonylContact O-C 3.6Å; V177-M250 WeakPolarHBondContact O-CA 3.37Å; L178-M250 HydrophobicContact CB-CE 4.15Å; L178-M250 HydrophobicContact CD1-CB 4.1Å; L178-M250 HydrophobicContact CD1-CE 4.49Å; L178-M250 HydrophobicContact CD2-CE 4.29Å; I191-M250 HydrophobicContact CG2-CE 4.21Å; L194-M250 HydrophobicContact CB-CB 4.42Å; L194-M250 HydrophobicContact CB-CE 3.52Å; L194-M250 HydrophobicContact CB-SD 3.57Å; L194-M250 VanDerWaalsContact CB-SD 3.57Å; L194-M250 HydrophobicContact CD1-CB 4.42Å; L194-M250 HydrophobicContact CD1-CE 4.05Å; L194-M250 HydrophobicContact CG-CE 4.44Å; M198-M250 HydrophobicContact CG-CG 4.14Å; M198-M250 HydrophobicContact CG-SD 3.74Å; I206-M250 CarbonylContact C-O 3.45Å; I206-M250 VanDerWaalsContact CA-O 3.32Å; I206-M250 WeakPolarHBondContact CA-O 3.36Å; Q207-M250 HydrophobicContact CB-CB 4.28Å; Q207-M250 PolarHBondContact N-O 3.29Å; Q207-M250 PolarHBondContact O-N 3.4Å |
| 251 | M | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 164.9 | -178.1 | -63.7 | -175.8 | 76.2 | 0 | 0 | 111.3 | Y176 V177 F179 F205 I206 A253 F256 V263 L278 | Y176-M251 CarbonylContact C-O 3.54Å; Y176-M251 VanDerWaalsContact CA-O 3.28Å; Y176-M251 WeakPolarHBondContact CA-O 3.4Å; V177-M251 HydrophobicContact CG1-CB 4.21Å; V177-M251 PolarHBondContact N-O 2.95Å; V177-M251 PolarHBondContact O-N 2.72Å; F179-M251 HydrophobicContact CE2-SD 4.44Å; F205-M251 HydrophobicContact CD2-CE 4.22Å; F205-M251 HydrophobicContact CE1-CE 3.98Å; F205-M251 HydrophobicContact CE2-CE 3.65Å; F205-M251 HydrophobicContact CZ-CE 3.52Å; I206-M251 HydrophobicContact CB-CG 3.88Å; I206-M251 HydrophobicContact CB-SD 4.5Å; I206-M251 HydrophobicContact CD1-CG 3.75Å; I206-M251 HydrophobicContact CD1-SD 3.71Å; I206-M251 HydrophobicContact CG1-CG 3.7Å; I206-M251 HydrophobicContact CG1-SD 4.31Å; M251-A253 PolarHBondContact O-N 3.45Å; M251-F256 HydrophobicContact CB-CE2 3.94Å; M251-F256 HydrophobicContact CE-CE2 4.11Å; M251-F256 HydrophobicContact CE-CZ 4.36Å; M251-F256 HydrophobicContact CG-CE2 4.37Å; M251-F256 HydrophobicContact SD-CE2 3.57Å; M251-F256 VanDerWaalsContact SD-CE2 3.57Å; M251-F256 HydrophobicContact SD-CZ 3.63Å; M251-V263 HydrophobicContact CE-CG2 4.38Å; M251-L278 HydrophobicContact CE-CD2 4.02Å; M251-L278 HydrophobicContact SD-CD1 3.99Å; M251-L278 HydrophobicContact SD-CD2 4.21Å |
| 252 | H | 98.7 | Very high | 97 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 130.5 | 168.9 | -68.2 | -95.4 | 0 | 0 | 0 | 110.6 | Y176 M198 P202 I204 D254 D255 | Y176-H252 AromaticContact CE1-CE1 3.62Å; Y176-H252 AromaticContact CE1-ND1 3.58Å; M198-H252 WeakPolarHBondContact CE-NE2 3.49Å; P202-H252 PolarHBondContact O-NE2 2.93Å; I204-H252 PolarHBondContact O-CD2 2.98Å; I204-H252 PolarHBondContact O-NE2 2.67Å; H252-D254 PolarHBondContact O-N 2.94Å; H252-D255 HydrophobicContact CB-CB 4.46Å; H252-D255 WeakPolarHBondContact O-CB 3.48Å; H252-D255 PolarHBondContact O-N 2.66Å; H252-D255 VanDerWaalsContact O-N 3.16Å |
| 253 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -33.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M170 T174 K175 M251 D255 F256 R257 | M170-A253 HydrophobicContact CE-CB 3.85Å; M170-A253 HydrophobicContact SD-CB 4.04Å; T174-A253 HydrophobicContact CG2-CB 4.11Å; T174-A253 VanDerWaalsContact O-CB 3.31Å; T174-A253 WeakPolarHBondContact O-CB 3.47Å; K175-A253 WeakPolarHBondContact O-CB 3.06Å; K175-A253 PolarHBondContact O-N 2.7Å; M251-A253 PolarHBondContact O-N 3.45Å; A253-D255 VanDerWaalsContact C-N 3.29Å; A253-D255 PolarHBondContact O-N 3.3Å; A253-F256 PolarHBondContact O-N 3.1Å; A253-F256 VanDerWaalsContact O-N 3.16Å; A253-R257 PolarHBondContact O-N 3.47Å |
| 254 | D | 98.4 | Very high | 97.6 | Very high | 59 Ų | 59 | 29.7 Ų | 29.7 | 32% | 0.316 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67.4 | -25.9 | 179.1 | -75.3 | -4.5 | 0 | 0 | 0 | 113.8 | H252 F256 R257 Q258 | H252-D254 PolarHBondContact O-N 2.94Å; D254-F256 PolarHBondContact O-N 3.49Å; D254-R257 PolarHBondContact O-N 2.99Å; D254-R257 IonicContact OD1-NH1 3.09Å; D254-R257 PolarHBondContact OD1-NH1 3.46Å; D254-R257 VanDerWaalsContact OD1-NH1 3.12Å; D254-Q258 WeakPolarHBondContact O-CB 3.32Å; D254-Q258 PolarHBondContact O-N 2.71Å |
| 255 | D | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -30.8 | 175.1 | -69.3 | -13.4 | 0 | 0 | 0 | 110.7 | F205 H252 A253 D259 R260 | F205-D255 WeakPolarHBondContact CD2-OD2 3.41Å; H252-D255 HydrophobicContact CB-CB 4.46Å; H252-D255 WeakPolarHBondContact O-CB 3.48Å; H252-D255 PolarHBondContact O-N 2.66Å; H252-D255 VanDerWaalsContact O-N 3.16Å; A253-D255 VanDerWaalsContact C-N 3.29Å; A253-D255 PolarHBondContact O-N 3.3Å; D255-D259 CarbonylContact O-C 3.56Å; D255-D259 WeakPolarHBondContact O-CA 3.33Å; D255-D259 PolarHBondContact O-N 3.36Å; D255-R260 HydrophobicContact CB-CB 4.42Å; D255-R260 PolarHBondContact O-N 3.34Å; D255-R260 VanDerWaalsContact OD1-CD 3.27Å; D255-R260 WeakPolarHBondContact OD1-CD 3.39Å; D255-R260 IonicContact OD1-NH1 2.95Å |
| 256 | F | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -84.3 | -47.3 | 172 | -66.8 | -95.5 | 0 | 0 | 0 | 113 | L164 V167 V177 F179 M251 A253 D254 Q258 D259 V263 V264 L267 | L164-F256 HydrophobicContact CD2-CD1 4.4Å; V167-F256 HydrophobicContact CG1-CB 3.49Å; V167-F256 VanDerWaalsContact CG1-CB 3.49Å; V167-F256 HydrophobicContact CG1-CD1 4.12Å; V167-F256 HydrophobicContact CG1-CG 3.91Å; V167-F256 HydrophobicContact CG2-CD1 4.01Å; V167-F256 HydrophobicContact CG2-CE1 4.35Å; V167-F256 HydrophobicContact CG2-CG 4.21Å; V177-F256 HydrophobicContact CG1-CD2 3.83Å; V177-F256 HydrophobicContact CG1-CE2 3.71Å; F179-F256 HydrophobicContact CE2-CE1 4.17Å; F179-F256 AromaticContact CE2-CE2 3.7Å; F179-F256 HydrophobicContact CE2-CE2 3.7Å; F179-F256 AromaticContact CE2-CZ 3.35Å; F179-F256 HydrophobicContact CE2-CZ 3.35Å; F179-F256 AromaticContact CZ-CE1 3.8Å; F179-F256 HydrophobicContact CZ-CE1 3.8Å; F179-F256 AromaticContact CZ-CE2 3.93Å; F179-F256 HydrophobicContact CZ-CE2 3.93Å; F179-F256 AromaticContact CZ-CZ 3.44Å; F179-F256 HydrophobicContact CZ-CZ 3.44Å; F179-F256 VanDerWaalsContact CZ-CZ 3.44Å; M251-F256 HydrophobicContact CB-CE2 3.94Å; M251-F256 HydrophobicContact CE-CE2 4.11Å; M251-F256 HydrophobicContact CE-CZ 4.36Å; M251-F256 HydrophobicContact CG-CE2 4.37Å; M251-F256 HydrophobicContact SD-CE2 3.57Å; M251-F256 VanDerWaalsContact SD-CE2 3.57Å; M251-F256 HydrophobicContact SD-CZ 3.63Å; A253-F256 PolarHBondContact O-N 3.1Å; A253-F256 VanDerWaalsContact O-N 3.16Å; D254-F256 PolarHBondContact O-N 3.49Å; F256-Q258 PolarHBondContact O-N 2.99Å; F256-D259 PolarHBondContact O-N 2.76Å; F256-D259 VanDerWaalsContact O-N 3.15Å; F256-V263 HydrophobicContact CD1-CG1 3.71Å; F256-V263 HydrophobicContact CD2-CG1 4.48Å; F256-V263 HydrophobicContact CE1-CG1 3.45Å; F256-V263 VanDerWaalsContact CE1-CG1 3.45Å; F256-V263 HydrophobicContact CE2-CG1 4.25Å; F256-V263 HydrophobicContact CG-CG1 4.22Å; F256-V263 HydrophobicContact CZ-CG1 3.73Å; F256-V264 HydrophobicContact CB-CG2 4.15Å; F256-V264 HydrophobicContact CD1-CG2 4.01Å; F256-V264 VanDerWaalsContact O-CG2 3.27Å; F256-V264 WeakPolarHBondContact O-CG2 3.33Å; F256-L267 HydrophobicContact CE1-CD1 4.19Å |
| 257 | R | 98.2 | Very high | 98.1 | Very high | 100 Ų | 100 | 30.8 Ų | 30.8 | 38% | 0.377 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -57.3 | -35.4 | -177.1 | -69.5 | -177.4 | -178.5 | 119.4 | 3.6 | 112.6 | M170 H171 K172 T174 A253 D254 | M170-R257 HydrophobicContact CE-CG 3.68Å; H171-R257 PolarHBondContact O-NH2 2.95Å; K172-R257 PolarHBondContact O-NH2 2.82Å; T174-R257 PolarHBondContact O-NH1 3Å; T174-R257 PolarHBondContact O-NH2 3.27Å; A253-R257 PolarHBondContact O-N 3.47Å; D254-R257 PolarHBondContact O-N 2.99Å; D254-R257 IonicContact OD1-NH1 3.09Å; D254-R257 PolarHBondContact OD1-NH1 3.46Å; D254-R257 VanDerWaalsContact OD1-NH1 3.12Å |
| 258 | Q | 98.3 | Very high | 98.3 | Very high | 112 Ų | 112 | 36.1 Ų | 36.1 | 52% | 0.523 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 7.7 | -175.6 | -58.8 | 169.7 | 22.1 | 0 | 0 | 112.4 | D254 F256 R260 | D254-Q258 WeakPolarHBondContact O-CB 3.32Å; D254-Q258 PolarHBondContact O-N 2.71Å; F256-Q258 PolarHBondContact O-N 2.99Å; Q258-R260 HydrophobicContact CB-CG 3.92Å; Q258-R260 PolarHBondContact O-N 3Å; Q258-R260 VanDerWaalsContact O-N 3.15Å; Q258-R260 VanDerWaalsContact OE1-CZ 3.26Å |
| 259 | D | 98.4 | Very high | 98.2 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 31% | 0.305 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 42.1 | -173.3 | -168.6 | 28.9 | 0 | 0 | 0 | 112.7 | D255 F256 Y261 G262 V263 V264 S265 | D255-D259 CarbonylContact O-C 3.56Å; D255-D259 WeakPolarHBondContact O-CA 3.33Å; D255-D259 PolarHBondContact O-N 3.36Å; F256-D259 PolarHBondContact O-N 2.76Å; F256-D259 VanDerWaalsContact O-N 3.15Å; D259-Y261 PolarHBondContact O-N 3Å; D259-G262 PolarHBondContact O-N 3.5Å; D259-G262 VanDerWaalsContact O-N 3.12Å; D259-G262 VanDerWaalsContact OD1-C 3.23Å; D259-G262 WeakPolarHBondContact OD1-CA 3.34Å; D259-V263 PolarHBondContact OD1-N 3.42Å; D259-V263 VanDerWaalsContact OD1-N 3.13Å; D259-V264 HydrophobicContact CB-CB 4.3Å; D259-V264 WeakPolarHBondContact OD1-CA 3.18Å; D259-V264 WeakPolarHBondContact OD1-CB 3.24Å; D259-V264 PolarHBondContact OD1-N 2.93Å; D259-S265 PolarHBondContact OD1-N 2.79Å; D259-S265 PolarHBondContact OD1-OG 2.97Å; D259-S265 WeakPolarHBondContact OD2-CB 3.22Å; D259-S265 PolarHBondContact OD2-N 3Å; D259-S265 PolarHBondContact OD2-OG 2.86Å |
| 260 | R | 98.2 | Very high | 98.2 | Very high | 86 Ų | 86 | 40.4 Ų | 40.4 | 33% | 0.325 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -63.1 | 140.3 | -178 | -62.9 | -177.4 | 177.2 | 167.1 | 1.9 | 108.5 | D255 Q258 G262 V263 | D255-R260 HydrophobicContact CB-CB 4.42Å; D255-R260 PolarHBondContact O-N 3.34Å; D255-R260 VanDerWaalsContact OD1-CD 3.27Å; D255-R260 WeakPolarHBondContact OD1-CD 3.39Å; D255-R260 IonicContact OD1-NH1 2.95Å; Q258-R260 HydrophobicContact CB-CG 3.92Å; Q258-R260 PolarHBondContact O-N 3Å; Q258-R260 VanDerWaalsContact O-N 3.15Å; Q258-R260 VanDerWaalsContact OE1-CZ 3.26Å; R260-G262 PolarHBondContact O-N 3.14Å; R260-V263 VanDerWaalsContact O-CG2 3.28Å; R260-V263 WeakPolarHBondContact O-CG2 3.42Å; R260-V263 PolarHBondContact O-N 2.92Å |
| 261 | Y | 97.6 | Very high | 98.1 | Very high | 74 Ų | 74 | 40.7 Ų | 40.7 | 29% | 0.29 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | 60 | 13.5 | -179.9 | -39.6 | -68.8 | 0 | 0 | 0 | 113.7 | F205 D259 L281 H285 | F205-Y261 HydrophobicContact CD2-CD2 4.1Å; F205-Y261 HydrophobicContact CD2-CE2 4.11Å; F205-Y261 AromaticContact CE2-CD2 3.63Å; F205-Y261 HydrophobicContact CE2-CD2 3.63Å; F205-Y261 HydrophobicContact CE2-CE2 4.1Å; D259-Y261 PolarHBondContact O-N 3Å; Y261-L281 WeakPolarHBondContact O-CD2 3.18Å; Y261-H285 HydrophobicContact CD1-CB 3.9Å; Y261-H285 AromaticContact CD1-CG 3.79Å; Y261-H285 AromaticContact CD1-ND1 3.9Å; Y261-H285 HydrophobicContact CG-CB 4.42Å; Y261-H285 PolarHBondContact O-NE2 2.72Å |
| 262 | G | 97.8 | Very high | 98.1 | Very high | 21 Ų | 21 | 41 Ų | 41 | 22% | 0.216 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | 68.5 | 31.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D259 R260 S265 G266 | D259-G262 PolarHBondContact O-N 3.5Å; D259-G262 VanDerWaalsContact O-N 3.12Å; D259-G262 VanDerWaalsContact OD1-C 3.23Å; D259-G262 WeakPolarHBondContact OD1-CA 3.34Å; R260-G262 PolarHBondContact O-N 3.14Å; G262-S265 VanDerWaalsContact CA-OG 3.27Å; G262-S265 WeakPolarHBondContact CA-OG 3.37Å; G262-G266 VanDerWaalsContact O-CA 3.29Å; G262-G266 WeakPolarHBondContact O-CA 3.11Å; G262-G266 PolarHBondContact O-N 3.29Å |
| 263 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.4 | -53.6 | 178.8 | 165.2 | 0 | 0 | 0 | 0 | 111.8 | F205 M251 F256 D259 R260 L267 L278 L281 | F205-V263 HydrophobicContact CE2-CG2 3.98Å; F205-V263 HydrophobicContact CZ-CG2 3.75Å; M251-V263 HydrophobicContact CE-CG2 4.38Å; F256-V263 HydrophobicContact CD1-CG1 3.71Å; F256-V263 HydrophobicContact CD2-CG1 4.48Å; F256-V263 HydrophobicContact CE1-CG1 3.45Å; F256-V263 VanDerWaalsContact CE1-CG1 3.45Å; F256-V263 HydrophobicContact CE2-CG1 4.25Å; F256-V263 HydrophobicContact CG-CG1 4.22Å; F256-V263 HydrophobicContact CZ-CG1 3.73Å; D259-V263 PolarHBondContact OD1-N 3.42Å; D259-V263 VanDerWaalsContact OD1-N 3.13Å; R260-V263 VanDerWaalsContact O-CG2 3.28Å; R260-V263 WeakPolarHBondContact O-CG2 3.42Å; R260-V263 PolarHBondContact O-N 2.92Å; V263-L267 HydrophobicContact CG1-CD1 4.15Å; V263-L267 VanDerWaalsContact O-CB 3.3Å; V263-L267 WeakPolarHBondContact O-CB 3.38Å; V263-L267 WeakPolarHBondContact O-CD1 3.3Å; V263-L267 WeakPolarHBondContact O-CG 3.48Å; V263-L267 PolarHBondContact O-N 3.44Å; V263-L267 VanDerWaalsContact O-N 3.1Å; V263-L278 HydrophobicContact CG1-CD2 4.03Å; V263-L278 HydrophobicContact CG2-CD2 4.27Å; V263-L281 HydrophobicContact CG2-CD1 4.22Å |
| 264 | V | 98.5 | Very high | 97.9 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.7 | -48.1 | -177.9 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | L164 F256 D259 G266 L267 R268 | L164-V264 HydrophobicContact CD2-CG1 4.25Å; L164-V264 HydrophobicContact CD2-CG2 4.4Å; F256-V264 HydrophobicContact CB-CG2 4.15Å; F256-V264 HydrophobicContact CD1-CG2 4.01Å; F256-V264 VanDerWaalsContact O-CG2 3.27Å; F256-V264 WeakPolarHBondContact O-CG2 3.33Å; D259-V264 HydrophobicContact CB-CB 4.3Å; D259-V264 WeakPolarHBondContact OD1-CA 3.18Å; D259-V264 WeakPolarHBondContact OD1-CB 3.24Å; D259-V264 PolarHBondContact OD1-N 2.93Å; V264-G266 VanDerWaalsContact C-N 3.34Å; V264-G266 PolarHBondContact O-N 2.67Å; V264-L267 PolarHBondContact O-N 2.78Å; V264-R268 WeakPolarHBondContact O-CB 3.29Å; V264-R268 PolarHBondContact O-N 2.61Å |
| 265 | S | 98 | Very high | 97.8 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 40% | 0.399 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 179.7 | 45 | 0 | 0 | 0 | 0 | 111.6 | D259 G262 R268 D269 | D259-S265 PolarHBondContact OD1-N 2.79Å; D259-S265 PolarHBondContact OD1-OG 2.97Å; D259-S265 WeakPolarHBondContact OD2-CB 3.22Å; D259-S265 PolarHBondContact OD2-N 3Å; D259-S265 PolarHBondContact OD2-OG 2.86Å; G262-S265 VanDerWaalsContact CA-OG 3.27Å; G262-S265 WeakPolarHBondContact CA-OG 3.37Å; S265-R268 PolarHBondContact O-N 3.43Å; S265-D269 VanDerWaalsContact O-CB 3.24Å; S265-D269 WeakPolarHBondContact O-CB 3.16Å; S265-D269 PolarHBondContact O-N 3.39Å |
| 266 | G | 97.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G262 V264 | G262-G266 VanDerWaalsContact O-CA 3.29Å; G262-G266 WeakPolarHBondContact O-CA 3.11Å; G262-G266 PolarHBondContact O-N 3.29Å; V264-G266 VanDerWaalsContact C-N 3.34Å; V264-G266 PolarHBondContact O-N 2.67Å |
| 267 | L | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.3 | -40.9 | 175 | -75.9 | 170.9 | 0 | 0 | 0 | 111.9 | C156 I160 L164 F256 V263 V264 G271 D274 T277 L278 | C156-L267 WeakPolarHBondContact CB-O 3.36Å; I160-L267 HydrophobicContact CD1-CD2 3.93Å; I160-L267 HydrophobicContact CG1-CD2 4.18Å; I160-L267 HydrophobicContact CG2-CB 3.78Å; I160-L267 HydrophobicContact CG2-CD2 4.31Å; L164-L267 HydrophobicContact CD1-CB 4.47Å; L164-L267 HydrophobicContact CD2-CD1 4.27Å; F256-L267 HydrophobicContact CE1-CD1 4.19Å; V263-L267 HydrophobicContact CG1-CD1 4.15Å; V263-L267 VanDerWaalsContact O-CB 3.3Å; V263-L267 WeakPolarHBondContact O-CB 3.38Å; V263-L267 WeakPolarHBondContact O-CD1 3.3Å; V263-L267 WeakPolarHBondContact O-CG 3.48Å; V263-L267 PolarHBondContact O-N 3.44Å; V263-L267 VanDerWaalsContact O-N 3.1Å; V264-L267 PolarHBondContact O-N 2.78Å; L267-G271 WeakPolarHBondContact O-CA 3.49Å; L267-G271 PolarHBondContact O-N 3.44Å; L267-D274 HydrophobicContact CD2-CB 4.37Å; L267-T277 HydrophobicContact CD2-CG2 3.81Å; L267-T277 HydrophobicContact CG-CG2 4.2Å; L267-L278 HydrophobicContact CD1-CD2 4.3Å |
| 268 | R | 98 | Very high | 97.5 | Very high | 111 Ų | 111 | 35.9 Ų | 35.9 | 42% | 0.419 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -72.3 | -29.6 | -177 | -169.6 | 175.7 | -75.1 | -152.2 | -1.9 | 112.5 | T155 L164 E168 V264 S265 G270 | T155-R268 WeakPolarHBondContact CB-O 3.46Å; T155-R268 PolarHBondContact OG1-O 2.96Å; L164-R268 HydrophobicContact CD1-CB 4.08Å; E168-R268 IonicContact OE1-NH2 2.7Å; E168-R268 PolarHBondContact OE1-NH2 3.2Å; V264-R268 WeakPolarHBondContact O-CB 3.29Å; V264-R268 PolarHBondContact O-N 2.61Å; S265-R268 PolarHBondContact O-N 3.43Å; R268-G270 PolarHBondContact O-N 3.25Å; R268-G270 VanDerWaalsContact O-N 3.14Å |
| 269 | D | 97.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 31.6 Ų | 31.6 | 46% | 0.46 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 77.1 | -179.2 | -178.7 | 19.3 | 0 | 0 | 0 | 112.5 | S265 G271 K467 | S265-D269 VanDerWaalsContact O-CB 3.24Å; S265-D269 WeakPolarHBondContact O-CB 3.16Å; S265-D269 PolarHBondContact O-N 3.39Å; D269-G271 VanDerWaalsContact C-N 3.25Å; D269-G271 PolarHBondContact O-N 3.06Å; D269-K467 VanDerWaalsContact CG-NZ 3.26Å; D269-K467 IonicContact OD1-NZ 2.66Å; D269-K467 PolarHBondContact OD1-NZ 2.95Å; D269-K467 IonicContact OD2-NZ 3.66Å; D269-K467 PolarHBondContact OD2-NZ 3Å |
| 270 | G | 97.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 7.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | T155 R268 Y272 I468 | T155-G270 WeakPolarHBondContact O-CA 3.49Å; T155-G270 PolarHBondContact O-N 3.34Å; R268-G270 PolarHBondContact O-N 3.25Å; R268-G270 VanDerWaalsContact O-N 3.14Å; G270-Y272 PolarHBondContact O-N 3.39Å; G270-I468 PolarHBondContact O-N 3.3Å |
| 271 | G | 97.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | trans | -59.6 | 129.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C156 S157 I160 L267 D269 I468 | C156-G271 CarbonylContact C-O 3.58Å; C156-G271 WeakPolarHBondContact CA-O 3.34Å; C156-G271 WeakPolarHBondContact CB-O 3.31Å; S157-G271 PolarHBondContact N-O 3.46Å; I160-G271 WeakPolarHBondContact CD1-O 3.43Å; L267-G271 WeakPolarHBondContact O-CA 3.49Å; L267-G271 PolarHBondContact O-N 3.44Å; D269-G271 VanDerWaalsContact C-N 3.25Å; D269-G271 PolarHBondContact O-N 3.06Å; G271-I468 WeakPolarHBondContact O-CD1 3.42Å | ||
| 272 | Y | 97.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 3% | 0.027 | 13% | 0.132 | C | C | . | . | trans | -103.8 | -58.1 | 174.6 | 171.5 | -104.8 | 0 | 0 | 0 | 111.8 | S157 G270 F319 V320 I454 W456 Y461 I468 | S157-Y272 WeakPolarHBondContact CB-O 3.24Å; S157-Y272 PolarHBondContact OG-O 3.25Å; G270-Y272 PolarHBondContact O-N 3.39Å; Y272-F319 HydrophobicContact CD1-CD1 4.26Å; Y272-F319 HydrophobicContact CD2-CE1 4.48Å; Y272-F319 AromaticContact CE1-CD1 3.76Å; Y272-F319 HydrophobicContact CE1-CD1 3.76Å; Y272-F319 HydrophobicContact CE1-CE1 4.47Å; Y272-F319 HydrophobicContact CE2-CD1 4.18Å; Y272-F319 HydrophobicContact CE2-CE1 4.29Å; Y272-F319 AromaticContact CZ-CD1 3.73Å; Y272-V320 HydrophobicContact CD1-CG2 4.17Å; Y272-V320 HydrophobicContact CE1-CB 4.39Å; Y272-V320 HydrophobicContact CE1-CG2 3.58Å; Y272-I454 HydrophobicContact CE2-CG2 3.82Å; Y272-W456 HydrophobicContact CE2-CE3 4.08Å; Y272-W456 HydrophobicContact CE2-CZ3 4.48Å; Y272-Y461 HydrophobicContact CD2-CD2 4.33Å; Y272-Y461 HydrophobicContact CD2-CG 4.41Å; Y272-Y461 AromaticContact CE2-CD2 4Å; Y272-Y461 HydrophobicContact CE2-CD2 4Å; Y272-Y461 HydrophobicContact CE2-CG 4.46Å; Y272-I468 HydrophobicContact CD2-CD1 4.14Å | ||
| 273 | S | 96 | Very high | 97.2 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 8% | 0.077 | 15% | 0.148 | C | C | . | . | trans | -97.5 | 123.5 | 176.5 | -139.1 | 0 | 0 | 0 | 0 | 109.7 | D275 T277 V320 | S273-D275 WeakPolarHBondContact CB-OD1 3.25Å; S273-D275 PolarHBondContact OG-OD1 2.86Å; S273-T277 VanDerWaalsContact O-CB 3.32Å; S273-T277 WeakPolarHBondContact O-CB 3.43Å; S273-T277 PolarHBondContact O-N 3.2Å; S273-T277 PolarHBondContact O-OG1 3.21Å; S273-V320 WeakPolarHBondContact OG-CG2 3.09Å | ||
| 274 | D | 97.2 | Very high | 97.1 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -49.7 | 175 | 49 | -16.6 | 0 | 0 | 0 | 110.6 | K159 I160 Q163 M249 L267 T277 L278 | K159-D274 VanDerWaalsContact CE-OD2 3.25Å; K159-D274 WeakPolarHBondContact CE-OD2 3.42Å; K159-D274 IonicContact NZ-OD1 2.7Å; K159-D274 PolarHBondContact NZ-OD1 3.33Å; K159-D274 IonicContact NZ-OD2 2.9Å; K159-D274 PolarHBondContact NZ-OD2 3.1Å; I160-D274 HydrophobicContact CD1-CB 4.43Å; I160-D274 HydrophobicContact CG1-CB 3.98Å; Q163-D274 PolarHBondContact NE2-OD2 2.91Å; Q163-D274 PolarHBondContact OE1-OD2 3.49Å; M249-D274 HydrophobicContact CE-CB 4.13Å; M249-D274 VanDerWaalsContact CE-OD2 3.28Å; M249-D274 WeakPolarHBondContact CE-OD2 3.45Å; L267-D274 HydrophobicContact CD2-CB 4.37Å; D274-T277 PolarHBondContact O-N 3.42Å; D274-L278 WeakPolarHBondContact O-CB 3.36Å; D274-L278 VanDerWaalsContact O-CG 3.24Å; D274-L278 WeakPolarHBondContact O-CG 3.46Å; D274-L278 PolarHBondContact O-N 3.26Å |
| 275 | D | 96 | Very high | 97 | Very high | 25 Ų | 25 | 30.4 Ų | 30.4 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -49.2 | 179.6 | 52.5 | 11.7 | 0 | 0 | 0 | 114.2 | L244 G246 S273 T277 L278 A279 | L244-D275 HydrophobicContact CB-CB 4.39Å; L244-D275 HydrophobicContact CD2-CB 4.41Å; L244-D275 WeakPolarHBondContact CD2-O 3.17Å; L244-D275 HydrophobicContact CG-CB 4Å; G246-D275 PolarHBondContact N-OD2 3.03Å; G246-D275 VanDerWaalsContact N-OD2 3.13Å; S273-D275 WeakPolarHBondContact CB-OD1 3.25Å; S273-D275 PolarHBondContact OG-OD1 2.86Å; D275-T277 VanDerWaalsContact C-N 3.31Å; D275-T277 PolarHBondContact O-N 3.03Å; D275-L278 PolarHBondContact O-N 3.47Å; D275-A279 WeakPolarHBondContact O-CB 3.48Å; D275-A279 PolarHBondContact O-N 3.38Å |
| 276 | M | 95 | Very high | 97 | Very high | 41 Ų | 41 | 37 Ų | 37 | 20% | 0.202 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -36 | 179.7 | -67.3 | -54.3 | 98.8 | 0 | 0 | 112.2 | S280 V320 | M276-S280 VanDerWaalsContact O-CB 3.23Å; M276-S280 WeakPolarHBondContact O-CB 3.24Å; M276-S280 PolarHBondContact O-N 2.99Å; M276-V320 HydrophobicContact CB-CG1 4.17Å; M276-V320 HydrophobicContact CG-CG1 3.15Å; M276-V320 HydrophobicContact SD-CG1 4.32Å |
| 277 | T | 96.8 | Very high | 97 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.3 | -50.7 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | L267 S273 D274 D275 S280 L281 I325 | L267-T277 HydrophobicContact CD2-CG2 3.81Å; L267-T277 HydrophobicContact CG-CG2 4.2Å; S273-T277 VanDerWaalsContact O-CB 3.32Å; S273-T277 WeakPolarHBondContact O-CB 3.43Å; S273-T277 PolarHBondContact O-N 3.2Å; S273-T277 PolarHBondContact O-OG1 3.21Å; D274-T277 PolarHBondContact O-N 3.42Å; D275-T277 VanDerWaalsContact C-N 3.31Å; D275-T277 PolarHBondContact O-N 3.03Å; T277-S280 WeakPolarHBondContact O-CB 3.45Å; T277-S280 PolarHBondContact O-N 2.65Å; T277-L281 HydrophobicContact CG2-CD1 4.41Å; T277-L281 WeakPolarHBondContact O-CG 3.47Å; T277-L281 PolarHBondContact O-N 2.92Å; T277-I325 HydrophobicContact CG2-CD1 4.09Å |
| 278 | L | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.6 | -37 | -178.9 | -70.6 | 172.6 | 0 | 0 | 0 | 112.8 | I206 L244 M249 M251 V263 L267 D274 D275 S280 L281 A282 | I206-L278 HydrophobicContact CD1-CD1 4.03Å; L244-L278 HydrophobicContact CD2-CB 3.66Å; M249-L278 HydrophobicContact CE-CD1 4.06Å; M249-L278 HydrophobicContact SD-CD1 3.78Å; M251-L278 HydrophobicContact CE-CD2 4.02Å; M251-L278 HydrophobicContact SD-CD1 3.99Å; M251-L278 HydrophobicContact SD-CD2 4.21Å; V263-L278 HydrophobicContact CG1-CD2 4.03Å; V263-L278 HydrophobicContact CG2-CD2 4.27Å; L267-L278 HydrophobicContact CD1-CD2 4.3Å; D274-L278 WeakPolarHBondContact O-CB 3.36Å; D274-L278 VanDerWaalsContact O-CG 3.24Å; D274-L278 WeakPolarHBondContact O-CG 3.46Å; D274-L278 PolarHBondContact O-N 3.26Å; D275-L278 PolarHBondContact O-N 3.47Å; L278-S280 VanDerWaalsContact C-N 3.35Å; L278-L281 PolarHBondContact O-N 3Å; L278-A282 WeakPolarHBondContact O-CB 3.16Å; L278-A282 PolarHBondContact O-N 3.37Å |
| 279 | A | 96.6 | Very high | 97 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L244 D275 A282 G283 I289 | L244-A279 HydrophobicContact CB-CB 4.04Å; L244-A279 HydrophobicContact CD2-CB 4.16Å; D275-A279 WeakPolarHBondContact O-CB 3.48Å; D275-A279 PolarHBondContact O-N 3.38Å; A279-A282 PolarHBondContact O-N 3.17Å; A279-G283 PolarHBondContact O-N 2.88Å; A279-I289 HydrophobicContact CB-CD1 4.44Å |
| 280 | S | 96.7 | Very high | 97 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.9 | 168.9 | 0 | 0 | 0 | 0 | 111.8 | M276 T277 L278 G283 A284 I325 N329 | M276-S280 VanDerWaalsContact O-CB 3.23Å; M276-S280 WeakPolarHBondContact O-CB 3.24Å; M276-S280 PolarHBondContact O-N 2.99Å; T277-S280 WeakPolarHBondContact O-CB 3.45Å; T277-S280 PolarHBondContact O-N 2.65Å; L278-S280 VanDerWaalsContact C-N 3.35Å; S280-G283 PolarHBondContact O-N 3.44Å; S280-A284 WeakPolarHBondContact O-CB 3.3Å; S280-A284 PolarHBondContact O-N 3.13Å; S280-I325 WeakPolarHBondContact OG-CG2 3.47Å; S280-N329 VanDerWaalsContact OG-CB 3.31Å; S280-N329 WeakPolarHBondContact OG-CB 3.47Å |
| 281 | L | 97.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.9 | -69.3 | 179 | 0 | 0 | 0 | 111.4 | Y261 V263 T277 L278 G283 A284 H285 I325 | Y261-L281 WeakPolarHBondContact O-CD2 3.18Å; V263-L281 HydrophobicContact CG2-CD1 4.22Å; T277-L281 HydrophobicContact CG2-CD1 4.41Å; T277-L281 WeakPolarHBondContact O-CG 3.47Å; T277-L281 PolarHBondContact O-N 2.92Å; L278-L281 PolarHBondContact O-N 3Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 2.99Å; L281-A284 PolarHBondContact O-N 3Å; L281-H285 WeakPolarHBondContact O-CB 3.5Å; L281-H285 PolarHBondContact O-CD2 2.76Å; L281-H285 VanDerWaalsContact O-CD2 3.27Å; L281-H285 PolarHBondContact O-N 3.45Å; L281-I325 HydrophobicContact CD2-CD1 3.94Å; L281-I325 HydrophobicContact CG-CD1 4.39Å |
| 282 | A | 97.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | F205 L278 A279 K286 R287 I289 | F205-A282 HydrophobicContact CD1-CB 3.74Å; F205-A282 HydrophobicContact CE1-CB 3.86Å; L278-A282 WeakPolarHBondContact O-CB 3.16Å; L278-A282 PolarHBondContact O-N 3.37Å; A279-A282 PolarHBondContact O-N 3.17Å; A282-K286 CarbonylContact O-C 3.58Å; A282-K286 WeakPolarHBondContact O-CA 3.14Å; A282-K286 PolarHBondContact O-N 3.27Å; A282-R287 HydrophobicContact CB-CB 4.3Å; A282-R287 PolarHBondContact O-N 3.43Å; A282-I289 HydrophobicContact CB-CD1 3.83Å; A282-I289 HydrophobicContact CB-CG1 3.84Å |
| 283 | G | 96.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 56% | 0.557 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -62.3 | -48.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | A279 S280 L281 H285 K286 | A279-G283 PolarHBondContact O-N 2.88Å; S280-G283 PolarHBondContact O-N 3.44Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 2.99Å; G283-H285 VanDerWaalsContact C-N 3.31Å; G283-H285 PolarHBondContact O-N 3.06Å; G283-K286 PolarHBondContact O-N 3.06Å |
| 284 | A | 96.3 | Very high | 96.6 | Very high | 69 Ų | 69 | 33.9 Ų | 33.9 | 57% | 0.57 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -61.6 | -38 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S280 L281 | S280-A284 WeakPolarHBondContact O-CB 3.3Å; S280-A284 PolarHBondContact O-N 3.13Å; L281-A284 PolarHBondContact O-N 3Å |
| 285 | H | 96.9 | Very high | 96.5 | Very high | 90 Ų | 90 | 33.7 Ų | 33.7 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 10.1 | -179.9 | -65 | -78.6 | 0 | 0 | 0 | 113.6 | Y261 L281 G283 R287 | Y261-H285 HydrophobicContact CD1-CB 3.9Å; Y261-H285 AromaticContact CD1-CG 3.79Å; Y261-H285 AromaticContact CD1-ND1 3.9Å; Y261-H285 HydrophobicContact CG-CB 4.42Å; Y261-H285 PolarHBondContact O-NE2 2.72Å; L281-H285 WeakPolarHBondContact O-CB 3.5Å; L281-H285 PolarHBondContact O-CD2 2.76Å; L281-H285 VanDerWaalsContact O-CD2 3.27Å; L281-H285 PolarHBondContact O-N 3.45Å; G283-H285 VanDerWaalsContact C-N 3.31Å; G283-H285 PolarHBondContact O-N 3.06Å; H285-R287 HydrophobicContact CB-CG 3.85Å; H285-R287 PolarHBondContact O-N 3.04Å |
| 286 | K | 96.7 | Very high | 96.5 | Very high | 194 Ų | 194 | 32.6 Ų | 32.6 | 84% | 0.843 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 39.4 | -179.5 | -57.6 | 179.5 | -178.5 | 177.6 | 0 | 113.3 | A282 G283 | A282-K286 CarbonylContact O-C 3.58Å; A282-K286 WeakPolarHBondContact O-CA 3.14Å; A282-K286 PolarHBondContact O-N 3.27Å; G283-K286 PolarHBondContact O-N 3.06Å |
| 287 | R | 97.7 | Very high | 96.6 | Very high | 68 Ų | 68 | 30.6 Ų | 30.6 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -88.8 | 154 | -178.7 | -61.6 | -57.2 | -63 | 161.6 | -2.1 | 112 | E203 F205 A282 H285 | E203-R287 PolarHBondContact O-NH2 3.04Å; F205-R287 HydrophobicContact CB-CB 3.49Å; F205-R287 VanDerWaalsContact CB-CB 3.49Å; F205-R287 HydrophobicContact CB-CG 4.18Å; F205-R287 HydrophobicContact CD1-CB 3.87Å; F205-R287 HydrophobicContact CD1-CG 4.49Å; F205-R287 HydrophobicContact CD2-CB 4.37Å; F205-R287 HydrophobicContact CD2-CG 4.3Å; F205-R287 HydrophobicContact CG-CB 3.66Å; F205-R287 HydrophobicContact CG-CG 4.08Å; A282-R287 HydrophobicContact CB-CB 4.3Å; A282-R287 PolarHBondContact O-N 3.43Å; H285-R287 HydrophobicContact CB-CG 3.85Å; H285-R287 PolarHBondContact O-N 3.04Å |
| 288 | L | 97.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 19% | 0.194 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.4 | -173.1 | 177.8 | 61.6 | 0 | 0 | 0 | 111.4 | N201 I204 F205 I206 R240 T290 | N201-L288 WeakPolarHBondContact ND2-CD2 3.42Å; I204-L288 HydrophobicContact CG1-CD2 3.78Å; I204-L288 HydrophobicContact CG1-CG 4.36Å; F205-L288 PolarHBondContact N-O 2.99Å; I206-L288 PolarHBondContact N-O 3.03Å; R240-L288 HydrophobicContact CB-CD1 4.14Å; R240-L288 HydrophobicContact CG-CD1 3.75Å; L288-T290 HydrophobicContact CD1-CG2 4.02Å; L288-T290 HydrophobicContact CD2-CG2 4Å; L288-T290 HydrophobicContact CG-CG2 3.76Å |
| 289 | I | 98.1 | Very high | 96.4 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133 | 166.9 | -52 | 180 | 0 | 0 | 0 | 108.1 | I206 T208 R240 T241 L244 A279 A282 | I206-I289 HydrophobicContact CG2-CB 4.15Å; I206-I289 HydrophobicContact CG2-CD1 4.4Å; I206-I289 HydrophobicContact CG2-CG1 3.69Å; I206-I289 HydrophobicContact CG2-CG2 4.04Å; I206-I289 WeakPolarHBondContact O-CA 3.34Å; T208-I289 HydrophobicContact CG2-CG2 4.4Å; R240-I289 WeakPolarHBondContact CA-O 3.25Å; T241-I289 HydrophobicContact CG2-CB 4.43Å; T241-I289 HydrophobicContact CG2-CG2 3.71Å; T241-I289 PolarHBondContact N-O 2.93Å; T241-I289 WeakPolarHBondContact O-CB 3.44Å; L244-I289 HydrophobicContact CD1-CG2 4.37Å; A279-I289 HydrophobicContact CB-CD1 4.44Å; A282-I289 HydrophobicContact CB-CD1 3.83Å; A282-I289 HydrophobicContact CB-CG1 3.84Å |
| 290 | T | 97.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 31 Ų | 31 | 7% | 0.067 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 155.5 | 173.3 | 69.4 | 0 | 0 | 0 | 0 | 112.8 | I204 I206 Q207 T208 G239 L288 | I204-T290 HydrophobicContact CD1-CG2 4.07Å; I204-T290 HydrophobicContact CG1-CG2 3.93Å; I204-T290 HydrophobicContact CG2-CG2 4.42Å; I206-T290 PolarHBondContact O-N 3.26Å; Q207-T290 CarbonylContact C-O 3.51Å; Q207-T290 VanDerWaalsContact CA-O 3.24Å; Q207-T290 WeakPolarHBondContact CA-O 3.5Å; Q207-T290 WeakPolarHBondContact CG-OG1 3.39Å; Q207-T290 PolarHBondContact NE2-OG1 3.31Å; T208-T290 PolarHBondContact N-O 2.58Å; G239-T290 CarbonylContact O-C 3.53Å; G239-T290 WeakPolarHBondContact O-CA 3.37Å; G239-T290 WeakPolarHBondContact O-CB 3.47Å; L288-T290 HydrophobicContact CD1-CG2 4.02Å; L288-T290 HydrophobicContact CD2-CG2 4Å; L288-T290 HydrophobicContact CG-CG2 3.76Å |
| 291 | S | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -133.8 | 102.5 | 174.5 | 172.8 | 0 | 0 | 0 | 0 | 108.4 | T208 F235 G239 | T208-S291 WeakPolarHBondContact O-CA 3.2Å; F235-S291 WeakPolarHBondContact O-CB 3.36Å; F235-S291 PolarHBondContact O-OG 3.16Å; G239-S291 PolarHBondContact O-N 3.39Å | ||
| 292 | P | 94.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 30 Ų | 30 | 7% | 0.065 | 17% | 0.17 | C | C | . | . | trans | -59.2 | 141.5 | 177.6 | -28.7 | 38.6 | 0 | 0 | 0 | 112 | L194 E197 Q207 T208 V294 A295 | L194-P292 HydrophobicContact CD2-CG 4.01Å; E197-P292 HydrophobicContact CG-CG 4.25Å; Q207-P292 VanDerWaalsContact NE2-CG 3.35Å; T208-P292 WeakPolarHBondContact O-CD 3.39Å; P292-V294 HydrophobicContact CB-CG2 4.43Å; P292-V294 PolarHBondContact O-N 2.93Å; P292-A295 HydrophobicContact CB-CB 4.28Å; P292-A295 WeakPolarHBondContact O-CB 3.29Å; P292-A295 PolarHBondContact O-N 2.86Å | ||
| 293 | P | 93.2 | Very high | 95 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 13% | 0.13 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -13 | 179.2 | -32.9 | 41.7 | 0 | 0 | 0 | 116.5 | V47 R48 E51 L409 | V47-P293 HydrophobicContact CG1-CB 4.31Å; V47-P293 HydrophobicContact CG1-CG 4.17Å; R48-P293 PolarHBondContact NH1-O 3.11Å; E51-P293 HydrophobicContact CG-CB 3.3Å; E51-P293 HydrophobicContact CG-CG 4.33Å; P293-L409 WeakPolarHBondContact O-CD2 3.21Å |
| 294 | V | 95 | Very high | 94.4 | Very high | 15 Ų | 15 | 31.5 Ų | 31.5 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -9.9 | 174.4 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | H187 A193 P292 V296 L413 | H187-V294 PolarHBondContact NE2-O 3.31Å; A193-V294 HydrophobicContact CB-CG2 3.72Å; P292-V294 HydrophobicContact CB-CG2 4.43Å; P292-V294 PolarHBondContact O-N 2.93Å; V294-V296 PolarHBondContact O-N 3.12Å; V294-L413 HydrophobicContact CB-CD1 4.01Å; V294-L413 HydrophobicContact CB-CD2 4.26Å; V294-L413 HydrophobicContact CG1-CD1 4.44Å; V294-L413 HydrophobicContact CG1-CD2 4.15Å; V294-L413 WeakPolarHBondContact O-CD1 3.19Å |
| 295 | A | 95.7 | Very high | 94 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | trans | -78.4 | 65.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G209 Y210 P292 F297 | G209-A295 CarbonylContact C-O 3.5Å; G209-A295 WeakPolarHBondContact CA-O 3.46Å; Y210-A295 PolarHBondContact N-O 2.89Å; P292-A295 HydrophobicContact CB-CB 4.28Å; P292-A295 WeakPolarHBondContact O-CB 3.29Å; P292-A295 PolarHBondContact O-N 2.86Å; A295-F297 HydrophobicContact CB-CE2 4.24Å; A295-F297 HydrophobicContact CB-CZ 4Å | ||
| 296 | V | 96.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 124.4 | 173.3 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | Y210 L212 V294 E406 L409 | Y210-V296 HydrophobicContact CD1-CG2 4.15Å; Y210-V296 WeakPolarHBondContact O-CA 3.29Å; L212-V296 HydrophobicContact CB-CG2 3.92Å; V294-V296 PolarHBondContact O-N 3.12Å; V296-E406 HydrophobicContact CG2-CB 4.34Å; V296-E406 HydrophobicContact CG2-CG 4.5Å; V296-L409 HydrophobicContact CG1-CD2 3.92Å; V296-L409 HydrophobicContact CG1-CG 4.34Å |
| 297 | F | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.4 | -165.9 | -53 | -62.5 | 0 | 0 | 0 | 111 | V184 L186 T190 Y210 P211 L212 W245 C248 A295 H299 | V184-F297 HydrophobicContact CB-CB 3.91Å; V184-F297 HydrophobicContact CG1-CB 4.34Å; V184-F297 HydrophobicContact CG2-CB 4.41Å; L186-F297 HydrophobicContact CD1-CD1 4.36Å; L186-F297 HydrophobicContact CG-CD1 4.34Å; L186-F297 HydrophobicContact CG-CE1 4.28Å; T190-F297 HydrophobicContact CG2-CE1 3.55Å; T190-F297 HydrophobicContact CG2-CZ 3.61Å; T190-F297 WeakPolarHBondContact OG1-CE1 3.17Å; Y210-F297 PolarHBondContact O-N 3.49Å; P211-F297 CarbonylContact C-O 3.53Å; P211-F297 WeakPolarHBondContact CA-O 3.22Å; L212-F297 PolarHBondContact N-O 2.8Å; W245-F297 HydrophobicContact CH2-CD2 4.2Å; W245-F297 AromaticContact CZ3-CD2 3.7Å; W245-F297 HydrophobicContact CZ3-CD2 3.7Å; W245-F297 HydrophobicContact CZ3-CE2 4.15Å; C248-F297 HydrophobicContact CB-CD2 4.3Å; C248-F297 HydrophobicContact CB-CE2 3.65Å; C248-F297 HydrophobicContact CB-CZ 4.44Å; A295-F297 HydrophobicContact CB-CE2 4.24Å; A295-F297 HydrophobicContact CB-CZ 4Å; F297-H299 PolarHBondContact O-N 2.86Å |
| 298 | P | 96.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 123.5 | 176.3 | -24.3 | 34.6 | 0 | 0 | 0 | 111.9 | R185 L214 P300 C410 L420 | R185-P298 HydrophobicContact CB-CB 4.39Å; R185-P298 PolarHBondContact N-O 3.43Å; R185-P298 WeakPolarHBondContact O-CD 3.47Å; L214-P298 HydrophobicContact CD1-CB 4.07Å; P298-P300 WeakPolarHBondContact O-CD 3.37Å; P298-C410 HydrophobicContact CG-CB 3.91Å; P298-L420 HydrophobicContact CB-CD1 3.77Å; P298-L420 HydrophobicContact CG-CD1 3.49Å; P298-L420 VanDerWaalsContact CG-CD1 3.49Å |
| 299 | H | 94.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.028 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 92.4 | -179.1 | 176.9 | -142.7 | 0 | 0 | 0 | 109.8 | D183 V184 P211 L212 D213 L214 F297 L301 | D183-H299 PolarHBondContact O-CD2 2.99Å; D183-H299 VanDerWaalsContact O-CD2 3.3Å; D183-H299 IonicContact OD2-NE2 2.95Å; V184-H299 HydrophobicContact CG1-CB 4.12Å; P211-H299 HydrophobicContact CB-CB 4.01Å; L212-H299 PolarHBondContact O-N 3.38Å; D213-H299 WeakPolarHBondContact CA-O 3.42Å; D213-H299 IonicContact OD1-CE1 2.8Å; D213-H299 IonicContact OD1-CG 3.52Å; D213-H299 IonicContact OD1-ND1 3.56Å; D213-H299 PolarHBondContact OD1-ND1 3.37Å; L214-H299 PolarHBondContact N-O 3.44Å; F297-H299 PolarHBondContact O-N 2.86Å; H299-L301 PolarHBondContact O-N 3.06Å |
| 300 | P | 93 | Very high | 92.6 | Very high | 20 Ų | 20 | 22.2 Ų | 22.2 | 13% | 0.13 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123.1 | 179.3 | 29.7 | -33.7 | 0 | 0 | 0 | 111.8 | H98 P298 | H98-P300 HydrophobicContact CB-CG 3.77Å; H98-P300 PolarHBondContact CD2-O 3.39Å; H98-P300 VanDerWaalsContact CD2-O 3.25Å; P298-P300 WeakPolarHBondContact O-CD 3.37Å |
| 301 | L | 92.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 146.4 | 179.2 | -61.6 | 177.9 | 0 | 0 | 0 | 111.5 | D213 L214 S216 S221 I224 H299 S303 L484 | D213-L301 HydrophobicContact CB-CD1 4.14Å; D213-L301 HydrophobicContact CB-CG 4.47Å; L214-L301 PolarHBondContact O-N 3.15Å; L214-L301 VanDerWaalsContact O-N 3.17Å; S216-L301 WeakPolarHBondContact CB-O 3.43Å; S221-L301 VanDerWaalsContact O-CD1 3.25Å; S221-L301 WeakPolarHBondContact O-CD1 3.27Å; I224-L301 HydrophobicContact CB-CD1 3.94Å; I224-L301 HydrophobicContact CD1-CD2 4.47Å; I224-L301 HydrophobicContact CG2-CD1 3.93Å; I224-L301 HydrophobicContact CG2-CD2 4.02Å; H299-L301 PolarHBondContact O-N 3.06Å; L301-S303 PolarHBondContact O-N 3.25Å; L301-L484 HydrophobicContact CD2-CD1 4.37Å |
| 302 | A | 87.6 | Confident | 92.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -51.1 | 138.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | S216 D304 L484 | S216-A302 WeakPolarHBondContact CB-O 3.42Å; S216-A302 PolarHBondContact OG-O 3.45Å; A302-D304 PolarHBondContact O-N 3.13Å; A302-L484 WeakPolarHBondContact CB-O 3.45Å; A302-L484 PolarHBondContact N-O 3.47Å |
| 303 | S | 84.8 | Confident | 92.5 | Very high | 59 Ų | 59 | 26.1 Ų | 26.1 | 41% | 0.413 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.9 | 175.3 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | E97 L301 | E97-S303 PolarHBondContact OE2-N 3.25Å; E97-S303 PolarHBondContact OE2-OG 2.89Å; L301-S303 PolarHBondContact O-N 3.25Å |
| 304 | D | 83.6 | Confident | 92.6 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 16% | 0.155 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 31.6 | -170.9 | 81.4 | -53.1 | 0 | 0 | 0 | 113.9 | A302 S306 R309 G486 K487 | A302-D304 PolarHBondContact O-N 3.13Å; D304-S306 PolarHBondContact O-N 3.37Å; D304-S306 VanDerWaalsContact O-N 3.08Å; D304-R309 IonicContact OD1-NH1 3.81Å; D304-R309 PolarHBondContact OD1-NH1 2.86Å; D304-R309 IonicContact OD2-NH1 3.35Å; D304-G486 WeakPolarHBondContact OD1-CA 3.26Å; D304-K487 PolarHBondContact OD1-N 2.66Å; D304-K487 WeakPolarHBondContact OD2-CB 3.4Å; D304-K487 WeakPolarHBondContact OD2-CD 3.4Å; D304-K487 WeakPolarHBondContact OD2-CE 3.23Å; D304-K487 WeakPolarHBondContact OD2-CG 3.41Å; D304-K487 PolarHBondContact OD2-N 3.38Å; D304-K487 IonicContact OD2-NZ 3.69Å |
| 305 | L | 87.8 | Confident | 92.7 | Very high | 12 Ų | 12 | 24.9 Ų | 24.9 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | trans | -63.7 | 111.6 | -178.4 | -166.4 | 73.4 | 0 | 0 | 0 | 111.4 | G220 I224 R309 L484 | G220-L305 VanDerWaalsContact C-CD2 3.46Å; I224-L305 HydrophobicContact CD1-CD2 3.61Å; I224-L305 HydrophobicContact CG1-CD2 4.49Å; L305-R309 HydrophobicContact CD1-CB 3.71Å; L305-R309 HydrophobicContact CG-CB 4.49Å; L305-L484 HydrophobicContact CD1-CD2 4.29Å | ||
| 306 | S | 90.2 | Very high | 92.6 | Very high | 49 Ų | 49 | 26 Ų | 26 | 34% | 0.343 | 15% | 0.145 | S | C | . | . | trans | -84.1 | 159.3 | 174.4 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | D304 G308 R309 Y310 | D304-S306 PolarHBondContact O-N 3.37Å; D304-S306 VanDerWaalsContact O-N 3.08Å; S306-G308 PolarHBondContact O-N 2.9Å; S306-R309 PolarHBondContact O-N 3.36Å; S306-Y310 PolarHBondContact O-N 3.3Å | ||
| 307 | F | 91.7 | Very high | 92.6 | Very high | 130 Ų | 130 | 28.3 Ų | 28.3 | 57% | 0.57 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -53.9 | -41.5 | 174.8 | -179.5 | -100.3 | 0 | 0 | 0 | 112.4 | R309 Y310 W311 L440 | F307-R309 VanDerWaalsContact C-N 3.32Å; F307-R309 PolarHBondContact O-N 2.78Å; F307-Y310 AromaticContact CD2-CD1 3.94Å; F307-Y310 HydrophobicContact CD2-CD1 3.94Å; F307-Y310 HydrophobicContact CD2-CE1 4.4Å; F307-Y310 HydrophobicContact CE2-CD1 4Å; F307-Y310 HydrophobicContact CE2-CE1 4.05Å; F307-Y310 PolarHBondContact O-N 2.98Å; F307-W311 HydrophobicContact CE1-CB 4.37Å; F307-W311 HydrophobicContact CZ-CE3 4.3Å; F307-W311 WeakPolarHBondContact O-CB 3.45Å; F307-W311 PolarHBondContact O-N 2.83Å; F307-L440 HydrophobicContact CE2-CD1 3.83Å; F307-L440 HydrophobicContact CZ-CD1 4.17Å |
| 308 | G | 92.1 | Very high | 92.5 | Very high | 48 Ų | 48 | 28.3 Ų | 28.3 | 50% | 0.495 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.1 | -34.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S306 N312 | S306-G308 PolarHBondContact O-N 2.9Å; G308-N312 WeakPolarHBondContact O-CB 3.27Å; G308-N312 PolarHBondContact O-N 2.58Å |
| 309 | R | 90.7 | Very high | 92.6 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 11% | 0.113 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.4 | -43.6 | 175.6 | -73.6 | 173.3 | 61.6 | -176.6 | 7.3 | 111.6 | D304 L305 S306 F307 N312 Y313 T482 D483 L484 G485 | D304-R309 IonicContact OD1-NH1 3.81Å; D304-R309 PolarHBondContact OD1-NH1 2.86Å; D304-R309 IonicContact OD2-NH1 3.35Å; L305-R309 HydrophobicContact CD1-CB 3.71Å; L305-R309 HydrophobicContact CG-CB 4.49Å; S306-R309 PolarHBondContact O-N 3.36Å; F307-R309 VanDerWaalsContact C-N 3.32Å; F307-R309 PolarHBondContact O-N 2.78Å; R309-N312 PolarHBondContact O-N 3.3Å; R309-Y313 PolarHBondContact O-N 3.06Å; R309-T482 PolarHBondContact NH2-O 3.29Å; R309-D483 PolarHBondContact NE-O 3.4Å; R309-D483 VanDerWaalsContact NH2-C 3.25Å; R309-D483 PolarHBondContact NH2-O 2.97Å; R309-L484 VanDerWaalsContact NH2-C 3.26Å; R309-G485 PolarHBondContact NH1-O 3.02Å; R309-G485 PolarHBondContact NH2-O 3.47Å |
| 310 | Y | 94.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 172.1 | 157.7 | -105.7 | 0 | 0 | 0 | 111.4 | C223 I224 S306 F307 N312 Y313 L314 D437 L440 | C223-Y310 HydrophobicContact CB-CD2 3.92Å; C223-Y310 HydrophobicContact CB-CE1 4.49Å; C223-Y310 HydrophobicContact CB-CE2 3.27Å; I224-Y310 HydrophobicContact CG1-CD2 4.14Å; S306-Y310 PolarHBondContact O-N 3.3Å; F307-Y310 AromaticContact CD2-CD1 3.94Å; F307-Y310 HydrophobicContact CD2-CD1 3.94Å; F307-Y310 HydrophobicContact CD2-CE1 4.4Å; F307-Y310 HydrophobicContact CE2-CD1 4Å; F307-Y310 HydrophobicContact CE2-CE1 4.05Å; F307-Y310 PolarHBondContact O-N 2.98Å; Y310-N312 VanDerWaalsContact C-N 3.34Å; Y310-N312 PolarHBondContact O-N 3.4Å; Y310-Y313 CarbonylContact O-C 3.56Å; Y310-Y313 WeakPolarHBondContact O-CA 3.39Å; Y310-Y313 WeakPolarHBondContact O-CB 3.49Å; Y310-Y313 PolarHBondContact O-N 3.48Å; Y310-Y313 VanDerWaalsContact O-N 3.08Å; Y310-L314 HydrophobicContact CE2-CB 4.45Å; Y310-L314 PolarHBondContact O-N 3.28Å; Y310-D437 VanDerWaalsContact CE2-OD1 3.31Å; Y310-D437 WeakPolarHBondContact CE2-OD1 3.48Å; Y310-D437 VanDerWaalsContact CZ-OD1 3.31Å; Y310-D437 PolarHBondContact OH-OD1 3.47Å; Y310-L440 HydrophobicContact CE1-CD1 3.75Å |
| 311 | W | 95.9 | Very high | 92.8 | Very high | 65 Ų | 65 | 27.8 Ų | 27.8 | 25% | 0.246 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 175.8 | -177.9 | -103.9 | 0 | 0 | 0 | 111 | F307 Y313 L314 R315 L440 I443 | F307-W311 HydrophobicContact CE1-CB 4.37Å; F307-W311 HydrophobicContact CZ-CE3 4.3Å; F307-W311 WeakPolarHBondContact O-CB 3.45Å; F307-W311 PolarHBondContact O-N 2.83Å; W311-Y313 VanDerWaalsContact C-N 3.3Å; W311-Y313 PolarHBondContact O-N 2.96Å; W311-L314 HydrophobicContact CE3-CD2 4.44Å; W311-L314 HydrophobicContact CZ3-CD2 4.37Å; W311-L314 PolarHBondContact O-N 2.99Å; W311-R315 HydrophobicContact CD2-CG 4.36Å; W311-R315 HydrophobicContact CG-CG 4.29Å; W311-R315 VanDerWaalsContact O-CB 3.23Å; W311-R315 WeakPolarHBondContact O-CB 3.32Å; W311-R315 WeakPolarHBondContact O-CG 2.99Å; W311-R315 PolarHBondContact O-N 2.69Å; W311-L440 HydrophobicContact CZ3-CB 4.19Å; W311-L440 HydrophobicContact CZ3-CD2 4.08Å; W311-I443 HydrophobicContact CH2-CB 4.3Å; W311-I443 HydrophobicContact CH2-CG2 3.91Å |
| 312 | N | 94.7 | Very high | 93 | Very high | 33 Ų | 33 | 28 Ų | 28 | 18% | 0.176 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -37.2 | 175.2 | -163.9 | 54.6 | 0 | 0 | 0 | 112.4 | G308 R309 Y310 R315 K316 N455 D483 | G308-N312 WeakPolarHBondContact O-CB 3.27Å; G308-N312 PolarHBondContact O-N 2.58Å; R309-N312 PolarHBondContact O-N 3.3Å; Y310-N312 VanDerWaalsContact C-N 3.34Å; Y310-N312 PolarHBondContact O-N 3.4Å; N312-R315 WeakPolarHBondContact O-CB 3.4Å; N312-R315 PolarHBondContact O-N 2.86Å; N312-K316 WeakPolarHBondContact O-CG 3.47Å; N312-K316 PolarHBondContact O-N 3.33Å; N312-N455 PolarHBondContact ND2-O 3.41Å; N312-N455 PolarHBondContact OD1-O 3.31Å; N312-D483 PolarHBondContact ND2-OD1 3.15Å; N312-D483 PolarHBondContact ND2-OD2 3.28Å |
| 313 | Y | 94.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -53.4 | 173 | 167 | -86.6 | 0 | 0 | 0 | 111.6 | I224 Y227 H228 R309 Y310 W311 R315 K316 Q317 L484 | I224-Y313 HydrophobicContact CB-CE1 4.25Å; I224-Y313 HydrophobicContact CD1-CD1 4.02Å; I224-Y313 HydrophobicContact CD1-CD2 4.41Å; I224-Y313 HydrophobicContact CD1-CE1 4.31Å; I224-Y313 HydrophobicContact CD1-CG 4.08Å; I224-Y313 HydrophobicContact CG1-CD1 3.68Å; I224-Y313 HydrophobicContact CG1-CE1 3.68Å; I224-Y313 HydrophobicContact CG1-CG 4.26Å; I224-Y313 HydrophobicContact CG2-CE1 4.04Å; I224-Y313 HydrophobicContact CG2-CE2 4.36Å; Y227-Y313 HydrophobicContact CD1-CE1 4.21Å; Y227-Y313 WeakPolarHBondContact CD1-OH 3.44Å; H228-Y313 PolarHBondContact CE1-OH 2.88Å; H228-Y313 PolarHBondContact NE2-OH 2.97Å; R309-Y313 PolarHBondContact O-N 3.06Å; Y310-Y313 CarbonylContact O-C 3.56Å; Y310-Y313 WeakPolarHBondContact O-CA 3.39Å; Y310-Y313 WeakPolarHBondContact O-CB 3.49Å; Y310-Y313 PolarHBondContact O-N 3.48Å; Y310-Y313 VanDerWaalsContact O-N 3.08Å; W311-Y313 VanDerWaalsContact C-N 3.3Å; W311-Y313 PolarHBondContact O-N 2.96Å; Y313-R315 PolarHBondContact O-N 2.97Å; Y313-K316 WeakPolarHBondContact O-CA 3.36Å; Y313-K316 WeakPolarHBondContact O-CB 3.23Å; Y313-K316 PolarHBondContact O-N 3.47Å; Y313-Q317 HydrophobicContact CD1-CG 4.32Å; Y313-Q317 HydrophobicContact CE1-CG 3.82Å; Y313-Q317 HydrophobicContact CE2-CG 4.32Å; Y313-Q317 VanDerWaalsContact CZ-NE2 3.28Å; Y313-Q317 WeakPolarHBondContact O-CG 3.42Å; Y313-Q317 PolarHBondContact O-N 2.87Å; Y313-Q317 PolarHBondContact OH-NE2 3.04Å; Y313-L484 HydrophobicContact CD2-CD1 4.07Å; Y313-L484 HydrophobicContact CD2-CD2 3.95Å; Y313-L484 HydrophobicContact CD2-CG 4.33Å; Y313-L484 HydrophobicContact CE2-CD1 4.12Å; Y313-L484 HydrophobicContact CG-CD2 4.36Å |
| 314 | L | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -37.5 | 178.4 | -178.1 | 64.6 | 0 | 0 | 0 | 111.6 | Y227 Y310 W311 Q317 T318 L440 Y441 S444 | Y227-L314 HydrophobicContact CD2-CD1 4.31Å; Y227-L314 HydrophobicContact CE2-CD1 4.46Å; Y310-L314 HydrophobicContact CE2-CB 4.45Å; Y310-L314 PolarHBondContact O-N 3.28Å; W311-L314 HydrophobicContact CE3-CD2 4.44Å; W311-L314 HydrophobicContact CZ3-CD2 4.37Å; W311-L314 PolarHBondContact O-N 2.99Å; L314-Q317 PolarHBondContact O-N 3.06Å; L314-T318 PolarHBondContact O-N 3.42Å; L314-T318 PolarHBondContact O-OG1 3.16Å; L314-L440 HydrophobicContact CD2-CB 3.91Å; L314-Y441 HydrophobicContact CD1-CD2 4.05Å; L314-S444 PolarHBondContact O-OG 2.75Å |
| 315 | R | 96.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 171.2 | -73.6 | -77.4 | -55.2 | 147.1 | 8.5 | 111.5 | W311 N312 Y313 Q317 T318 F319 S444 R447 S448 I454 | W311-R315 HydrophobicContact CD2-CG 4.36Å; W311-R315 HydrophobicContact CG-CG 4.29Å; W311-R315 VanDerWaalsContact O-CB 3.23Å; W311-R315 WeakPolarHBondContact O-CB 3.32Å; W311-R315 WeakPolarHBondContact O-CG 2.99Å; W311-R315 PolarHBondContact O-N 2.69Å; N312-R315 WeakPolarHBondContact O-CB 3.4Å; N312-R315 PolarHBondContact O-N 2.86Å; Y313-R315 PolarHBondContact O-N 2.97Å; R315-Q317 PolarHBondContact O-N 2.6Å; R315-T318 PolarHBondContact O-N 2.83Å; R315-T318 PolarHBondContact O-OG1 2.84Å; R315-F319 WeakPolarHBondContact O-CB 3.29Å; R315-F319 PolarHBondContact O-N 3.44Å; R315-S444 WeakPolarHBondContact CA-OG 3.49Å; R315-S444 PolarHBondContact N-OG 2.81Å; R315-S444 PolarHBondContact NH1-O 3.25Å; R315-R447 VanDerWaalsContact NH1-CB 3.32Å; R315-R447 VanDerWaalsContact NH1-CG 3.31Å; R315-R447 PolarHBondContact NH1-O 2.79Å; R315-R447 VanDerWaalsContact NH1-O 3.11Å; R315-R447 PolarHBondContact NH2-O 3.01Å; R315-S448 VanDerWaalsContact CZ-OG 3.27Å; R315-S448 PolarHBondContact NH1-OG 3.2Å; R315-I454 HydrophobicContact CB-CD1 3.74Å |
| 316 | K | 95.3 | Very high | 95 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 11% | 0.113 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 176 | -72 | -175.7 | -55.1 | -179.8 | 0 | 111.4 | N312 Y313 T318 F319 V320 I454 W456 D483 | N312-K316 WeakPolarHBondContact O-CG 3.47Å; N312-K316 PolarHBondContact O-N 3.33Å; Y313-K316 WeakPolarHBondContact O-CA 3.36Å; Y313-K316 WeakPolarHBondContact O-CB 3.23Å; Y313-K316 PolarHBondContact O-N 3.47Å; K316-T318 VanDerWaalsContact C-N 3.35Å; K316-T318 PolarHBondContact O-N 3.02Å; K316-F319 PolarHBondContact O-N 3.42Å; K316-F319 VanDerWaalsContact O-N 3.16Å; K316-V320 WeakPolarHBondContact O-CG2 3.14Å; K316-V320 PolarHBondContact O-N 2.84Å; K316-I454 HydrophobicContact CG-CD1 4.29Å; K316-I454 HydrophobicContact CG-CG1 3.85Å; K316-W456 HydrophobicContact CD-CB 4.06Å; K316-W456 HydrophobicContact CD-CG 3.86Å; K316-D483 WeakPolarHBondContact CE-OD2 3.07Å; K316-D483 IonicContact NZ-OD2 3.73Å; K316-D483 PolarHBondContact NZ-OD2 3.29Å |
| 317 | Q | 94.6 | Very high | 95.2 | Very high | 51 Ų | 51 | 35.3 Ų | 35.3 | 24% | 0.238 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 179.7 | -60.3 | -52.8 | -20.9 | 0 | 0 | 112.4 | Y227 Y313 L314 R315 | Y227-Q317 HydrophobicContact CD1-CG 4.29Å; Y227-Q317 HydrophobicContact CE1-CB 3.99Å; Y227-Q317 HydrophobicContact CE1-CG 3.58Å; Y227-Q317 HydrophobicContact CE2-CB 4.4Å; Y227-Q317 WeakPolarHBondContact OH-CB 3.24Å; Y313-Q317 HydrophobicContact CD1-CG 4.32Å; Y313-Q317 HydrophobicContact CE1-CG 3.82Å; Y313-Q317 HydrophobicContact CE2-CG 4.32Å; Y313-Q317 VanDerWaalsContact CZ-NE2 3.28Å; Y313-Q317 WeakPolarHBondContact O-CG 3.42Å; Y313-Q317 PolarHBondContact O-N 2.87Å; Y313-Q317 PolarHBondContact OH-NE2 3.04Å; L314-Q317 PolarHBondContact O-N 3.06Å; R315-Q317 PolarHBondContact O-N 2.6Å |
| 318 | T | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.6 | -30 | 176.1 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | L314 R315 K316 V320 L321 Y441 S444 A445 S448 | L314-T318 PolarHBondContact O-N 3.42Å; L314-T318 PolarHBondContact O-OG1 3.16Å; R315-T318 PolarHBondContact O-N 2.83Å; R315-T318 PolarHBondContact O-OG1 2.84Å; K316-T318 VanDerWaalsContact C-N 3.35Å; K316-T318 PolarHBondContact O-N 3.02Å; T318-V320 VanDerWaalsContact C-N 3.34Å; T318-L321 PolarHBondContact O-N 3.13Å; T318-Y441 HydrophobicContact CG2-CD2 3.89Å; T318-Y441 HydrophobicContact CG2-CE2 3.54Å; T318-S444 PolarHBondContact OG1-OG 2.98Å; T318-A445 HydrophobicContact CG2-CB 3.97Å; T318-S448 PolarHBondContact OG1-OG 3.47Å |
| 319 | F | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.8 | -30.2 | 178.9 | -168.7 | -98.3 | 0 | 0 | 0 | 112.5 | Y272 R315 K316 L321 E322 S448 I454 L463 | Y272-F319 HydrophobicContact CD1-CD1 4.26Å; Y272-F319 HydrophobicContact CD2-CE1 4.48Å; Y272-F319 AromaticContact CE1-CD1 3.76Å; Y272-F319 HydrophobicContact CE1-CD1 3.76Å; Y272-F319 HydrophobicContact CE1-CE1 4.47Å; Y272-F319 HydrophobicContact CE2-CD1 4.18Å; Y272-F319 HydrophobicContact CE2-CE1 4.29Å; Y272-F319 AromaticContact CZ-CD1 3.73Å; R315-F319 WeakPolarHBondContact O-CB 3.29Å; R315-F319 PolarHBondContact O-N 3.44Å; K316-F319 PolarHBondContact O-N 3.42Å; K316-F319 VanDerWaalsContact O-N 3.16Å; F319-L321 PolarHBondContact O-N 2.85Å; F319-E322 WeakPolarHBondContact O-CB 3.26Å; F319-E322 PolarHBondContact O-N 2.95Å; F319-S448 PolarHBondContact N-OG 2.89Å; F319-I454 HydrophobicContact CD1-CB 3.84Å; F319-I454 HydrophobicContact CD1-CG2 3.42Å; F319-I454 VanDerWaalsContact CD1-CG2 3.42Å; F319-I454 HydrophobicContact CD2-CB 4.14Å; F319-I454 HydrophobicContact CE1-CB 3.92Å; F319-I454 HydrophobicContact CE1-CG2 3.31Å; F319-I454 HydrophobicContact CE2-CB 4.22Å; F319-I454 HydrophobicContact CE2-CG2 4.48Å; F319-I454 HydrophobicContact CG-CB 3.93Å; F319-I454 HydrophobicContact CG-CG1 4.44Å; F319-I454 HydrophobicContact CG-CG2 4.05Å; F319-I454 HydrophobicContact CZ-CB 4.09Å; F319-I454 HydrophobicContact CZ-CG2 3.88Å; F319-L463 HydrophobicContact CD1-CD1 4.14Å; F319-L463 HydrophobicContact CE1-CD1 3.42Å; F319-L463 VanDerWaalsContact CE1-CD1 3.42Å; F319-L463 HydrophobicContact CE1-CD2 4.45Å; F319-L463 HydrophobicContact CE1-CG 3.67Å; F319-L463 HydrophobicContact CE2-CD1 4.19Å; F319-L463 HydrophobicContact CZ-CB 4.34Å; F319-L463 HydrophobicContact CZ-CD1 3.47Å; F319-L463 VanDerWaalsContact CZ-CD1 3.47Å; F319-L463 HydrophobicContact CZ-CG 3.55Å |
| 320 | V | 96 | Very high | 95.9 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 11% | 0.109 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.2 | -38.9 | 171.4 | 165 | 0 | 0 | 0 | 0 | 111.3 | Y272 S273 M276 K316 T318 E322 S323 | Y272-V320 HydrophobicContact CD1-CG2 4.17Å; Y272-V320 HydrophobicContact CE1-CB 4.39Å; Y272-V320 HydrophobicContact CE1-CG2 3.58Å; S273-V320 WeakPolarHBondContact OG-CG2 3.09Å; M276-V320 HydrophobicContact CB-CG1 4.17Å; M276-V320 HydrophobicContact CG-CG1 3.15Å; M276-V320 HydrophobicContact SD-CG1 4.32Å; K316-V320 WeakPolarHBondContact O-CG2 3.14Å; K316-V320 PolarHBondContact O-N 2.84Å; T318-V320 VanDerWaalsContact C-N 3.34Å; V320-E322 PolarHBondContact O-N 3.09Å; V320-S323 PolarHBondContact O-N 2.96Å; V320-S323 PolarHBondContact O-OG 3.49Å |
| 321 | L | 96.1 | Very high | 96 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -15.4 | 178.5 | -57.6 | -178 | 0 | 0 | 0 | 114.1 | T318 F319 N333 L336 F337 Y441 | T318-L321 PolarHBondContact O-N 3.13Å; F319-L321 PolarHBondContact O-N 2.85Å; L321-N333 WeakPolarHBondContact O-CB 3.38Å; L321-L336 HydrophobicContact CD1-CG 4.43Å; L321-L336 HydrophobicContact CD2-CD2 3.6Å; L321-L336 HydrophobicContact CD2-CG 4.11Å; L321-F337 HydrophobicContact CD1-CB 4.2Å; L321-Y441 WeakPolarHBondContact CD1-OH 3.32Å |
| 322 | E | 96.5 | Very high | 96 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -19.3 | 172.6 | -62.4 | -59.7 | 125.5 | 0 | 0 | 112.2 | F319 V320 Y324 K334 H449 Q452 L463 G466 | F319-E322 WeakPolarHBondContact O-CB 3.26Å; F319-E322 PolarHBondContact O-N 2.95Å; V320-E322 PolarHBondContact O-N 3.09Å; E322-Y324 WeakPolarHBondContact O-CD1 3.21Å; E322-K334 IonicContact OE1-NZ 3.53Å; E322-K334 PolarHBondContact OE1-NZ 3.12Å; E322-K334 IonicContact OE2-NZ 3.62Å; E322-K334 PolarHBondContact OE2-NZ 3.43Å; E322-H449 IonicContact OE1-ND1 3.73Å; E322-H449 IonicContact OE2-ND1 2.78Å; E322-H449 PolarHBondContact OE2-ND1 3.19Å; E322-H449 VanDerWaalsContact OE2-ND1 3.09Å; E322-Q452 PolarHBondContact OE2-NE2 3.06Å; E322-L463 HydrophobicContact CB-CD1 4.03Å; E322-G466 WeakPolarHBondContact O-CA 3.45Å |
| 323 | S | 96.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | trans | -84.3 | 142.3 | 175.9 | 71.2 | 0 | 0 | 0 | 0 | 111.9 | V320 N333 G466 | V320-S323 PolarHBondContact O-N 2.96Å; V320-S323 PolarHBondContact O-OG 3.49Å; S323-N333 PolarHBondContact O-ND2 3.01Å; S323-G466 VanDerWaalsContact CA-O 3.23Å; S323-G466 WeakPolarHBondContact CA-O 3.48Å | ||
| 324 | Y | 97.2 | Very high | 96.1 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | trans | -159.9 | 152.7 | 177.5 | 57.3 | -92.9 | 0 | 0 | 0 | 112.6 | E322 N329 W330 D465 G466 | E322-Y324 WeakPolarHBondContact O-CD1 3.21Å; Y324-N329 WeakPolarHBondContact CA-OD1 3.4Å; Y324-N329 WeakPolarHBondContact CB-OD1 3.37Å; Y324-W330 HydrophobicContact CD1-CB 3.92Å; Y324-W330 AromaticContact CD1-CD1 3.49Å; Y324-W330 VanDerWaalsContact CD1-CD1 3.49Å; Y324-W330 HydrophobicContact CD1-CG 4.07Å; Y324-W330 HydrophobicContact CD2-CB 3.75Å; Y324-W330 HydrophobicContact CD2-CG 4.47Å; Y324-W330 HydrophobicContact CE1-CB 4.21Å; Y324-W330 AromaticContact CE1-CD1 3.25Å; Y324-W330 AromaticContact CE1-CG 3.99Å; Y324-W330 HydrophobicContact CE1-CG 3.99Å; Y324-W330 HydrophobicContact CE2-CB 4.08Å; Y324-W330 HydrophobicContact CE2-CG 4.4Å; Y324-W330 HydrophobicContact CG-CB 3.66Å; Y324-W330 HydrophobicContact CG-CG 4.31Å; Y324-W330 AromaticContact CZ-CD1 3.76Å; Y324-D465 WeakPolarHBondContact CE2-O 3.49Å; Y324-D465 WeakPolarHBondContact OH-CA 3.46Å; Y324-D465 PolarHBondContact OH-O 2.89Å; Y324-G466 PolarHBondContact N-O 3.27Å; Y324-G466 VanDerWaalsContact N-O 3.12Å | ||
| 325 | I | 96.1 | Very high | 96.2 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -97.1 | -27.1 | 178.3 | -170 | 170 | 0 | 0 | 0 | 113.5 | T277 S280 L281 N329 | T277-I325 HydrophobicContact CG2-CD1 4.09Å; S280-I325 WeakPolarHBondContact OG-CG2 3.47Å; L281-I325 HydrophobicContact CD2-CD1 3.94Å; L281-I325 HydrophobicContact CG-CD1 4.39Å; I325-N329 HydrophobicContact CG2-CB 4.31Å; I325-N329 PolarHBondContact N-OD1 2.98Å |
| 326 | S | 95.4 | Very high | 96.1 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -142.8 | 165.3 | -175 | 75.7 | 0 | 0 | 0 | 0 | 111.8 | V328 N329 W330 | S326-V328 VanDerWaalsContact C-N 3.27Å; S326-V328 PolarHBondContact O-N 2.93Å; S326-N329 PolarHBondContact O-N 3.3Å; S326-N329 WeakPolarHBondContact OG-CB 3.26Å; S326-N329 PolarHBondContact OG-N 2.97Å; S326-N329 VanDerWaalsContact OG-N 3.16Å; S326-W330 PolarHBondContact O-N 3.4Å |
| 327 | K | 95.6 | Very high | 96.2 | Very high | 159 Ų | 159 | 48.7 Ų | 48.7 | 69% | 0.691 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.6 | -35.4 | 175.7 | -171.7 | 175 | -178.3 | 178.2 | 0 | 112.4 | W330 I331 | K327-W330 HydrophobicContact CG-CE3 4.46Å; K327-W330 PolarHBondContact O-N 3.34Å; K327-I331 WeakPolarHBondContact O-CG1 3.41Å; K327-I331 PolarHBondContact O-N 2.94Å |
| 328 | V | 95.3 | Very high | 96.3 | Very high | 99 Ų | 99 | 48.9 Ų | 48.9 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.4 | -46.2 | 176.6 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | S326 W330 I331 M332 | S326-V328 VanDerWaalsContact C-N 3.27Å; S326-V328 PolarHBondContact O-N 2.93Å; V328-W330 VanDerWaalsContact C-N 3.32Å; V328-W330 PolarHBondContact O-N 3.46Å; V328-I331 PolarHBondContact O-N 2.9Å; V328-M332 HydrophobicContact CG1-SD 4.27Å; V328-M332 WeakPolarHBondContact O-CG 3.5Å; V328-M332 PolarHBondContact O-N 2.98Å |
| 329 | N | 95.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 176.3 | 178 | -148.4 | 0 | 0 | 0 | 112.2 | S280 Y324 I325 S326 I331 M332 N333 | S280-N329 VanDerWaalsContact OG-CB 3.31Å; S280-N329 WeakPolarHBondContact OG-CB 3.47Å; Y324-N329 WeakPolarHBondContact CA-OD1 3.4Å; Y324-N329 WeakPolarHBondContact CB-OD1 3.37Å; I325-N329 HydrophobicContact CG2-CB 4.31Å; I325-N329 PolarHBondContact N-OD1 2.98Å; S326-N329 PolarHBondContact O-N 3.3Å; S326-N329 WeakPolarHBondContact OG-CB 3.26Å; S326-N329 PolarHBondContact OG-N 2.97Å; S326-N329 VanDerWaalsContact OG-N 3.16Å; N329-I331 PolarHBondContact O-N 3.18Å; N329-M332 PolarHBondContact O-N 2.93Å; N329-N333 PolarHBondContact ND2-ND2 2.78Å; N329-N333 PolarHBondContact ND2-OD1 3.31Å; N329-N333 WeakPolarHBondContact O-CB 3.33Å; N329-N333 PolarHBondContact O-N 3.31Å; N329-N333 PolarHBondContact O-OD1 3.22Å |
| 330 | W | 96.9 | Very high | 96.3 | Very high | 104 Ų | 104 | 55 Ų | 55 | 39% | 0.394 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.4 | -47.9 | 172.3 | 174.1 | 71.8 | 0 | 0 | 0 | 112.3 | Y324 S326 K327 V328 M332 N333 K334 | Y324-W330 HydrophobicContact CD1-CB 3.92Å; Y324-W330 AromaticContact CD1-CD1 3.49Å; Y324-W330 VanDerWaalsContact CD1-CD1 3.49Å; Y324-W330 HydrophobicContact CD1-CG 4.07Å; Y324-W330 HydrophobicContact CD2-CB 3.75Å; Y324-W330 HydrophobicContact CD2-CG 4.47Å; Y324-W330 HydrophobicContact CE1-CB 4.21Å; Y324-W330 AromaticContact CE1-CD1 3.25Å; Y324-W330 AromaticContact CE1-CG 3.99Å; Y324-W330 HydrophobicContact CE1-CG 3.99Å; Y324-W330 HydrophobicContact CE2-CB 4.08Å; Y324-W330 HydrophobicContact CE2-CG 4.4Å; Y324-W330 HydrophobicContact CG-CB 3.66Å; Y324-W330 HydrophobicContact CG-CG 4.31Å; Y324-W330 AromaticContact CZ-CD1 3.76Å; S326-W330 PolarHBondContact O-N 3.4Å; K327-W330 HydrophobicContact CG-CE3 4.46Å; K327-W330 PolarHBondContact O-N 3.34Å; V328-W330 VanDerWaalsContact C-N 3.32Å; V328-W330 PolarHBondContact O-N 3.46Å; W330-M332 VanDerWaalsContact C-N 3.33Å; W330-M332 PolarHBondContact O-N 2.68Å; W330-N333 PolarHBondContact O-N 3.06Å; W330-K334 HydrophobicContact CD2-CG 4.49Å; W330-K334 HydrophobicContact CZ2-CG 4.34Å; W330-K334 WeakPolarHBondContact O-CG 3.45Å; W330-K334 PolarHBondContact O-N 2.94Å |
| 331 | I | 97.3 | Very high | 96.4 | Very high | 92 Ų | 92 | 54.8 Ų | 54.8 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 176.4 | -67.6 | 167 | 0 | 0 | 0 | 110.4 | K327 V328 N329 N333 K334 A335 | K327-I331 WeakPolarHBondContact O-CG1 3.41Å; K327-I331 PolarHBondContact O-N 2.94Å; V328-I331 PolarHBondContact O-N 2.9Å; N329-I331 PolarHBondContact O-N 3.18Å; I331-N333 PolarHBondContact O-N 2.58Å; I331-K334 PolarHBondContact O-N 3.4Å; I331-A335 WeakPolarHBondContact O-CB 3.45Å; I331-A335 PolarHBondContact O-N 2.92Å |
| 332 | M | 95.5 | Very high | 96.5 | Very high | 116 Ų | 116 | 60.3 Ų | 60.3 | 57% | 0.571 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.3 | -44.9 | 178.8 | -70.6 | 178.4 | 65.6 | 0 | 0 | 112 | V328 N329 W330 K334 A335 L336 | V328-M332 HydrophobicContact CG1-SD 4.27Å; V328-M332 WeakPolarHBondContact O-CG 3.5Å; V328-M332 PolarHBondContact O-N 2.98Å; N329-M332 PolarHBondContact O-N 2.93Å; W330-M332 VanDerWaalsContact C-N 3.33Å; W330-M332 PolarHBondContact O-N 2.68Å; M332-K334 VanDerWaalsContact C-N 3.34Å; M332-K334 PolarHBondContact O-N 2.92Å; M332-A335 PolarHBondContact O-N 3.33Å; M332-L336 WeakPolarHBondContact O-CB 3.45Å; M332-L336 PolarHBondContact O-N 2.94Å |
| 333 | N | 96.1 | Very high | 96.6 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 179.3 | -71.7 | 3.8 | 0 | 0 | 0 | 111.7 | L321 S323 N329 W330 I331 L336 F337 | L321-N333 WeakPolarHBondContact O-CB 3.38Å; S323-N333 PolarHBondContact O-ND2 3.01Å; N329-N333 PolarHBondContact ND2-ND2 2.78Å; N329-N333 PolarHBondContact ND2-OD1 3.31Å; N329-N333 WeakPolarHBondContact O-CB 3.33Å; N329-N333 PolarHBondContact O-N 3.31Å; N329-N333 PolarHBondContact O-OD1 3.22Å; W330-N333 PolarHBondContact O-N 3.06Å; I331-N333 PolarHBondContact O-N 2.58Å; N333-L336 PolarHBondContact O-N 3.22Å; N333-F337 VanDerWaalsContact O-CB 3.3Å; N333-F337 WeakPolarHBondContact O-CB 3.45Å; N333-F337 PolarHBondContact O-N 2.87Å |
| 334 | K | 96.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 63 Ų | 63 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.7 | -34.7 | 173.4 | -67.7 | -61 | 173.5 | -171.3 | 0 | 113 | E322 W330 I331 M332 F337 A338 H449 | E322-K334 IonicContact OE1-NZ 3.53Å; E322-K334 PolarHBondContact OE1-NZ 3.12Å; E322-K334 IonicContact OE2-NZ 3.62Å; E322-K334 PolarHBondContact OE2-NZ 3.43Å; W330-K334 HydrophobicContact CD2-CG 4.49Å; W330-K334 HydrophobicContact CZ2-CG 4.34Å; W330-K334 WeakPolarHBondContact O-CG 3.45Å; W330-K334 PolarHBondContact O-N 2.94Å; I331-K334 PolarHBondContact O-N 3.4Å; M332-K334 VanDerWaalsContact C-N 3.34Å; M332-K334 PolarHBondContact O-N 2.92Å; K334-F337 WeakPolarHBondContact O-CB 3.28Å; K334-A338 WeakPolarHBondContact O-CB 2.95Å; K334-A338 PolarHBondContact O-N 3.43Å; K334-H449 PolarHBondContact NZ-ND1 3.35Å; K334-H449 VanDerWaalsContact NZ-ND1 3.17Å |
| 335 | A | 96.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 66.5 Ų | 66.5 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.5 | -47 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111 | I331 M332 F337 A338 V339 | I331-A335 WeakPolarHBondContact O-CB 3.45Å; I331-A335 PolarHBondContact O-N 2.92Å; M332-A335 PolarHBondContact O-N 3.33Å; A335-F337 VanDerWaalsContact C-N 3.34Å; A335-F337 PolarHBondContact O-N 2.92Å; A335-A338 PolarHBondContact O-N 3.4Å; A335-V339 WeakPolarHBondContact O-CB 3.11Å; A335-V339 VanDerWaalsContact O-CG2 3.29Å; A335-V339 WeakPolarHBondContact O-CG2 3.2Å; A335-V339 PolarHBondContact O-N 3.27Å |
| 336 | L | 95.2 | Very high | 96.7 | Very high | 85 Ų | 85 | 65 Ų | 65 | 45% | 0.445 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.7 | -178.6 | 57 | 0 | 0 | 0 | 111.6 | L321 M332 N333 H340 | L321-L336 HydrophobicContact CD1-CG 4.43Å; L321-L336 HydrophobicContact CD2-CD2 3.6Å; L321-L336 HydrophobicContact CD2-CG 4.11Å; M332-L336 WeakPolarHBondContact O-CB 3.45Å; M332-L336 PolarHBondContact O-N 2.94Å; N333-L336 PolarHBondContact O-N 3.22Å; L336-H340 WeakPolarHBondContact O-CB 3.38Å; L336-H340 PolarHBondContact O-N 3.34Å |
| 337 | F | 96.4 | Very high | 96.8 | Very high | 23 Ų | 23 | 63.1 Ų | 63.1 | 10% | 0.101 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.1 | -53.9 | 171.9 | 175.7 | -77.1 | 0 | 0 | 0 | 111.4 | L321 N333 K334 A335 C341 A445 F446 H449 | L321-F337 HydrophobicContact CD1-CB 4.2Å; N333-F337 VanDerWaalsContact O-CB 3.3Å; N333-F337 WeakPolarHBondContact O-CB 3.45Å; N333-F337 PolarHBondContact O-N 2.87Å; K334-F337 WeakPolarHBondContact O-CB 3.28Å; A335-F337 VanDerWaalsContact C-N 3.34Å; A335-F337 PolarHBondContact O-N 2.92Å; F337-C341 WeakPolarHBondContact O-CB 3.33Å; F337-C341 PolarHBondContact O-N 3.26Å; F337-C341 PolarHBondContact O-SG 3.21Å; F337-A445 HydrophobicContact CD2-CB 3.99Å; F337-A445 VanDerWaalsContact CE2-C 3.5Å; F337-A445 HydrophobicContact CE2-CB 3.41Å; F337-A445 VanDerWaalsContact CE2-CB 3.41Å; F337-A445 WeakPolarHBondContact CE2-O 3.31Å; F337-A445 HydrophobicContact CZ-CB 3.86Å; F337-F446 HydrophobicContact CE1-CE1 4.47Å; F337-F446 HydrophobicContact CE1-CZ 4.42Å; F337-F446 HydrophobicContact CZ-CD1 4.32Å; F337-F446 HydrophobicContact CZ-CE1 4.39Å; F337-F446 HydrophobicContact CZ-CG 4.45Å; F337-H449 HydrophobicContact CE2-CB 4.43Å |
| 338 | A | 97.7 | Very high | 97 | Very high | 55 Ų | 55 | 56.1 Ų | 56.1 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K334 A335 C341 Y342 | K334-A338 WeakPolarHBondContact O-CB 2.95Å; K334-A338 PolarHBondContact O-N 3.43Å; A335-A338 PolarHBondContact O-N 3.4Å; A338-C341 PolarHBondContact O-N 3.31Å; A338-Y342 WeakPolarHBondContact O-CB 3.36Å; A338-Y342 PolarHBondContact O-N 2.53Å |
| 339 | V | 97.3 | Very high | 97.1 | Very high | 80 Ų | 80 | 52.8 Ų | 52.8 | 49% | 0.485 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 178.4 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | A335 C341 Y342 L343 | A335-V339 WeakPolarHBondContact O-CB 3.11Å; A335-V339 VanDerWaalsContact O-CG2 3.29Å; A335-V339 WeakPolarHBondContact O-CG2 3.2Å; A335-V339 PolarHBondContact O-N 3.27Å; V339-C341 PolarHBondContact O-N 3.41Å; V339-Y342 PolarHBondContact O-N 3.26Å; V339-L343 HydrophobicContact CG1-CD1 3.75Å; V339-L343 HydrophobicContact CG1-CG 4.23Å; V339-L343 WeakPolarHBondContact O-CB 2.97Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 3.46Å; V339-L343 PolarHBondContact O-N 2.8Å |
| 340 | H | 96.5 | Very high | 97.2 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 179.9 | -161 | 163 | 0 | 0 | 0 | 110.6 | L336 Y342 L343 S344 Y441 | L336-H340 WeakPolarHBondContact O-CB 3.38Å; L336-H340 PolarHBondContact O-N 3.34Å; H340-Y342 VanDerWaalsContact C-N 3.32Å; H340-Y342 PolarHBondContact O-N 3.27Å; H340-L343 PolarHBondContact O-N 2.95Å; H340-S344 PolarHBondContact CD2-OG 2.86Å; H340-S344 WeakPolarHBondContact O-CB 3.28Å; H340-S344 PolarHBondContact O-N 3.38Å; H340-S344 PolarHBondContact O-OG 3.18Å; H340-S344 VanDerWaalsContact O-OG 3.05Å; H340-Y441 HydrophobicContact CB-CE1 3.59Å; H340-Y441 AromaticContact CD2-CD1 3.9Å; H340-Y441 AromaticContact CD2-CE1 3.72Å; H340-Y441 AromaticContact CD2-CZ 3.89Å; H340-Y441 AromaticContact CE1-CD2 3.84Å; H340-Y441 AromaticContact CE1-CE2 3.4Å; H340-Y441 WeakPolarHBondContact CE1-CE2 3.33Å; H340-Y441 AromaticContact CE1-CZ 3.61Å; H340-Y441 AromaticContact CG-CE1 3.37Å; H340-Y441 AromaticContact CG-CE2 3.92Å; H340-Y441 AromaticContact CG-CZ 3.3Å; H340-Y441 AromaticContact ND1-CE1 3.73Å; H340-Y441 AromaticContact ND1-CE2 3.4Å; H340-Y441 WeakPolarHBondContact ND1-CE2 3.48Å; H340-Y441 AromaticContact ND1-CZ 3.11Å; H340-Y441 PolarHBondContact ND1-OH 2.97Å; H340-Y441 VanDerWaalsContact ND1-OH 3.07Å; H340-Y441 AromaticContact NE2-CD2 3.98Å; H340-Y441 AromaticContact NE2-CE2 3.93Å |
| 341 | C | 97.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 10% | 0.095 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -44 | 175.3 | -74.7 | 0 | 0 | 0 | 0 | 113.1 | F337 A338 V339 W345 P442 | F337-C341 WeakPolarHBondContact O-CB 3.33Å; F337-C341 PolarHBondContact O-N 3.26Å; F337-C341 PolarHBondContact O-SG 3.21Å; A338-C341 PolarHBondContact O-N 3.31Å; V339-C341 PolarHBondContact O-N 3.41Å; C341-W345 PolarHBondContact O-N 3.41Å; C341-P442 HydrophobicContact CB-CB 4.22Å; C341-P442 HydrophobicContact CB-CG 4.22Å |
| 342 | Y | 97.8 | Very high | 97.2 | Very high | 125 Ų | 125 | 47.9 Ų | 47.9 | 49% | 0.49 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 177.2 | 175.5 | -100.9 | 0 | 0 | 0 | 111.9 | Q29 A338 V339 H340 G346 | Q29-Y342 PolarHBondContact NE2-OH 3.05Å; Q29-Y342 PolarHBondContact OE1-OH 2.79Å; A338-Y342 WeakPolarHBondContact O-CB 3.36Å; A338-Y342 PolarHBondContact O-N 2.53Å; V339-Y342 PolarHBondContact O-N 3.26Å; H340-Y342 VanDerWaalsContact C-N 3.32Å; H340-Y342 PolarHBondContact O-N 3.27Å; Y342-G346 WeakPolarHBondContact O-CA 3.31Å; Y342-G346 PolarHBondContact O-N 3.33Å |
| 343 | L | 97.6 | Very high | 97.4 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 37% | 0.372 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.2 | -42 | 179.2 | -69.4 | 175.8 | 0 | 0 | 0 | 111.8 | I33 V339 H340 G346 F347 | I33-L343 HydrophobicContact CD1-CD2 3.93Å; I33-L343 HydrophobicContact CG1-CD2 4.07Å; V339-L343 HydrophobicContact CG1-CD1 3.75Å; V339-L343 HydrophobicContact CG1-CG 4.23Å; V339-L343 WeakPolarHBondContact O-CB 2.97Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 3.46Å; V339-L343 PolarHBondContact O-N 2.8Å; H340-L343 PolarHBondContact O-N 2.95Å; L343-G346 PolarHBondContact O-N 2.97Å; L343-F347 WeakPolarHBondContact O-CB 3.31Å; L343-F347 PolarHBondContact O-N 3.23Å |
| 344 | S | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.2 | -46.8 | -178.9 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | H340 F347 V348 N438 | H340-S344 PolarHBondContact CD2-OG 2.86Å; H340-S344 WeakPolarHBondContact O-CB 3.28Å; H340-S344 PolarHBondContact O-N 3.38Å; H340-S344 PolarHBondContact O-OG 3.18Å; H340-S344 VanDerWaalsContact O-OG 3.05Å; S344-F347 WeakPolarHBondContact O-CB 3.4Å; S344-F347 PolarHBondContact O-N 3.44Å; S344-V348 WeakPolarHBondContact O-CG2 3.31Å; S344-V348 PolarHBondContact O-N 2.79Å; S344-V348 VanDerWaalsContact O-N 3.08Å; S344-N438 WeakPolarHBondContact CA-OD1 3.32Å; S344-N438 VanDerWaalsContact CB-O 3.23Å; S344-N438 WeakPolarHBondContact CB-O 3.35Å; S344-N438 WeakPolarHBondContact CB-OD1 3.43Å; S344-N438 PolarHBondContact OG-OD1 3.14Å; S344-N438 VanDerWaalsContact OG-OD1 3.12Å |
| 345 | W | 98 | Very high | 97.4 | Very high | 128 Ų | 128 | 46.3 Ų | 46.3 | 49% | 0.485 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74.7 | -31.3 | 175.7 | -82 | 6.2 | 0 | 0 | 0 | 113 | C341 F347 V348 A349 F439 P442 I443 | C341-W345 PolarHBondContact O-N 3.41Å; W345-F347 VanDerWaalsContact C-N 3.26Å; W345-F347 PolarHBondContact O-N 3.18Å; W345-V348 PolarHBondContact O-N 3.49Å; W345-A349 VanDerWaalsContact O-CB 3.27Å; W345-A349 WeakPolarHBondContact O-CB 3.49Å; W345-A349 PolarHBondContact O-N 3.07Å; W345-F439 PolarHBondContact NE1-O 3.26Å; W345-P442 VanDerWaalsContact CD1-CG 3.46Å; W345-P442 HydrophobicContact CD2-CB 4.29Å; W345-P442 HydrophobicContact CD2-CG 4.2Å; W345-P442 HydrophobicContact CG-CG 3.94Å; W345-P442 HydrophobicContact CZ2-CB 4.08Å; W345-I443 HydrophobicContact CZ2-CG1 4.47Å |
| 346 | G | 97.7 | Very high | 97.4 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -32.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G30 Y342 L343 P350 | G30-G346 WeakPolarHBondContact CA-O 3.48Å; Y342-G346 WeakPolarHBondContact O-CA 3.31Å; Y342-G346 PolarHBondContact O-N 3.33Å; L343-G346 PolarHBondContact O-N 2.97Å; G346-P350 WeakPolarHBondContact O-CD 3.33Å |
| 347 | F | 97.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.9 | -43.9 | 172 | 177.4 | -97.6 | 0 | 0 | 0 | 112 | I33 C34 L343 S344 W345 P350 Y351 E395 M434 L435 N438 | I33-F347 HydrophobicContact CG2-CB 4.32Å; I33-F347 HydrophobicContact CG2-CD2 3.97Å; C34-F347 VanDerWaalsContact SG-CE2 3.59Å; L343-F347 WeakPolarHBondContact O-CB 3.31Å; L343-F347 PolarHBondContact O-N 3.23Å; S344-F347 WeakPolarHBondContact O-CB 3.4Å; S344-F347 PolarHBondContact O-N 3.44Å; W345-F347 VanDerWaalsContact C-N 3.26Å; W345-F347 PolarHBondContact O-N 3.18Å; F347-P350 WeakPolarHBondContact O-CD 3.44Å; F347-Y351 HydrophobicContact CD1-CE2 4.32Å; F347-Y351 AromaticContact CE1-CE2 3.94Å; F347-Y351 HydrophobicContact CE1-CE2 3.94Å; F347-Y351 HydrophobicContact CE2-CE2 4.2Å; F347-Y351 AromaticContact CZ-CE2 3.87Å; F347-Y351 HydrophobicContact CZ-CE2 3.87Å; F347-Y351 WeakPolarHBondContact O-CD2 3.38Å; F347-Y351 VanDerWaalsContact O-CE2 3.23Å; F347-Y351 WeakPolarHBondContact O-CE2 3.21Å; F347-E395 WeakPolarHBondContact CE2-OE1 3.36Å; F347-M434 HydrophobicContact CE1-CB 4.17Å; F347-M434 HydrophobicContact CZ-CB 4.37Å; F347-M434 HydrophobicContact CZ-CE 3.84Å; F347-L435 HydrophobicContact CE1-CD2 3.98Å; F347-N438 HydrophobicContact CD1-CB 4.04Å |
| 348 | V | 98.2 | Very high | 97.4 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -77.3 | -35.3 | -176.2 | 174.5 | 0 | 0 | 0 | 0 | 113.4 | S344 W345 Y351 V352 N438 F439 | S344-V348 WeakPolarHBondContact O-CG2 3.31Å; S344-V348 PolarHBondContact O-N 2.79Å; S344-V348 VanDerWaalsContact O-N 3.08Å; W345-V348 PolarHBondContact O-N 3.49Å; V348-Y351 WeakPolarHBondContact O-CB 3.18Å; V348-Y351 PolarHBondContact O-N 3.03Å; V348-V352 HydrophobicContact CG1-CG2 4.22Å; V348-V352 PolarHBondContact O-N 3.47Å; V348-N438 HydrophobicContact CG2-CB 3.69Å; V348-F439 HydrophobicContact CG1-CB 4.39Å; V348-F439 HydrophobicContact CG1-CD2 4.19Å; V348-F439 HydrophobicContact CG2-CB 4.29Å |
| 349 | A | 98 | Very high | 97.2 | Very high | 28 Ų | 28 | 43.8 Ų | 43.8 | 23% | 0.231 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.7 | -42.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V26 W345 Y351 V352 M353 | V26-A349 HydrophobicContact CG1-CB 3.86Å; W345-A349 VanDerWaalsContact O-CB 3.27Å; W345-A349 WeakPolarHBondContact O-CB 3.49Å; W345-A349 PolarHBondContact O-N 3.07Å; A349-Y351 VanDerWaalsContact C-N 3.29Å; A349-Y351 PolarHBondContact O-N 2.96Å; A349-V352 WeakPolarHBondContact O-CB 3.35Å; A349-V352 PolarHBondContact O-N 3.22Å; A349-V352 VanDerWaalsContact O-N 3.17Å; A349-M353 WeakPolarHBondContact O-CG 3.47Å; A349-M353 PolarHBondContact O-N 3.49Å |
| 350 | P | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -29.5 | 178.5 | -25.5 | 39.4 | 0 | 0 | 0 | 113.6 | Q27 G346 F347 M353 A354 L388 | Q27-P350 HydrophobicContact CB-CB 4.39Å; Q27-P350 HydrophobicContact CG-CB 4.12Å; Q27-P350 HydrophobicContact CG-CG 4.5Å; G346-P350 WeakPolarHBondContact O-CD 3.33Å; F347-P350 WeakPolarHBondContact O-CD 3.44Å; P350-M353 PolarHBondContact O-N 3.26Å; P350-A354 WeakPolarHBondContact O-CB 3.42Å; P350-A354 PolarHBondContact O-N 2.99Å; P350-L388 HydrophobicContact CB-CD1 4.16Å; P350-L388 HydrophobicContact CB-CD2 3.9Å |
| 351 | Y | 98.1 | Very high | 96.7 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.6 | -37.5 | 174.5 | -63.3 | -84.3 | 0 | 0 | 0 | 111.6 | F347 V348 A349 A354 I355 L388 T392 F431 L435 | F347-Y351 HydrophobicContact CD1-CE2 4.32Å; F347-Y351 AromaticContact CE1-CE2 3.94Å; F347-Y351 HydrophobicContact CE1-CE2 3.94Å; F347-Y351 HydrophobicContact CE2-CE2 4.2Å; F347-Y351 AromaticContact CZ-CE2 3.87Å; F347-Y351 HydrophobicContact CZ-CE2 3.87Å; F347-Y351 WeakPolarHBondContact O-CD2 3.38Å; F347-Y351 VanDerWaalsContact O-CE2 3.23Å; F347-Y351 WeakPolarHBondContact O-CE2 3.21Å; V348-Y351 WeakPolarHBondContact O-CB 3.18Å; V348-Y351 PolarHBondContact O-N 3.03Å; A349-Y351 VanDerWaalsContact C-N 3.29Å; A349-Y351 PolarHBondContact O-N 2.96Å; Y351-A354 PolarHBondContact O-N 2.71Å; Y351-I355 WeakPolarHBondContact O-CG1 3.32Å; Y351-I355 PolarHBondContact O-N 2.94Å; Y351-I355 VanDerWaalsContact O-N 3.11Å; Y351-L388 HydrophobicContact CD1-CD2 3.83Å; Y351-L388 HydrophobicContact CD1-CG 4.43Å; Y351-L388 HydrophobicContact CE1-CD1 4.26Å; Y351-L388 HydrophobicContact CE1-CD2 4.04Å; Y351-L388 HydrophobicContact CE1-CG 4.12Å; Y351-L388 HydrophobicContact CE2-CD1 4.33Å; Y351-L388 HydrophobicContact CG-CD2 4.13Å; Y351-T392 HydrophobicContact CE1-CG2 4.34Å; Y351-T392 WeakPolarHBondContact CE1-OG1 3.4Å; Y351-T392 PolarHBondContact OH-OG1 3.01Å; Y351-F431 HydrophobicContact CD1-CE2 4.23Å; Y351-F431 AromaticContact CD1-CZ 3.98Å; Y351-F431 HydrophobicContact CD1-CZ 3.98Å; Y351-F431 AromaticContact CE1-CE2 3.58Å; Y351-F431 HydrophobicContact CE1-CE2 3.58Å; Y351-F431 AromaticContact CE1-CZ 3.76Å; Y351-F431 HydrophobicContact CE1-CZ 3.76Å; Y351-L435 HydrophobicContact CD1-CD1 4.41Å; Y351-L435 HydrophobicContact CD1-CD2 3.96Å; Y351-L435 HydrophobicContact CD2-CD2 3.3Å; Y351-L435 HydrophobicContact CE1-CD2 4.19Å; Y351-L435 HydrophobicContact CE2-CD2 3.55Å; Y351-L435 HydrophobicContact CG-CD1 4.39Å; Y351-L435 HydrophobicContact CG-CD2 3.5Å |
| 352 | V | 97.2 | Very high | 96.4 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 49% | 0.485 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 173.3 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | V348 A349 I355 I356 | V348-V352 HydrophobicContact CG1-CG2 4.22Å; V348-V352 PolarHBondContact O-N 3.47Å; A349-V352 WeakPolarHBondContact O-CB 3.35Å; A349-V352 PolarHBondContact O-N 3.22Å; A349-V352 VanDerWaalsContact O-N 3.17Å; V352-I355 PolarHBondContact O-N 3.11Å; V352-I356 PolarHBondContact O-N 3.12Å |
| 353 | M | 97.6 | Very high | 96.1 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.2 | -64 | 179 | -174.3 | 0 | 0 | 111.9 | F18 A23 V26 Q27 A349 P350 I355 I356 H357 | F18-M353 HydrophobicContact CB-CG 4.46Å; F18-M353 HydrophobicContact CD1-CE 4.35Å; F18-M353 HydrophobicContact CD1-CG 4.11Å; F18-M353 HydrophobicContact CD1-SD 4.34Å; F18-M353 HydrophobicContact CD2-CB 3.82Å; F18-M353 HydrophobicContact CD2-CG 3.74Å; F18-M353 HydrophobicContact CE1-CE 4.4Å; F18-M353 HydrophobicContact CE1-CG 4.25Å; F18-M353 HydrophobicContact CE2-CB 4.2Å; F18-M353 HydrophobicContact CE2-CG 3.86Å; F18-M353 HydrophobicContact CG-CB 4.22Å; F18-M353 HydrophobicContact CG-CG 3.87Å; F18-M353 HydrophobicContact CG-SD 4.35Å; F18-M353 HydrophobicContact CZ-CG 4.13Å; A23-M353 HydrophobicContact CB-CE 4.44Å; A23-M353 HydrophobicContact CB-SD 4.37Å; V26-M353 HydrophobicContact CB-CE 4.29Å; V26-M353 HydrophobicContact CG1-CE 3.97Å; Q27-M353 HydrophobicContact CG-CB 4.37Å; Q27-M353 HydrophobicContact CG-SD 3.54Å; Q27-M353 VanDerWaalsContact CG-SD 3.54Å; A349-M353 WeakPolarHBondContact O-CG 3.47Å; A349-M353 PolarHBondContact O-N 3.49Å; P350-M353 PolarHBondContact O-N 3.26Å; M353-I355 VanDerWaalsContact C-N 3.35Å; M353-I355 PolarHBondContact O-N 2.96Å; M353-I356 WeakPolarHBondContact O-CB 3.38Å; M353-I356 PolarHBondContact O-N 3.4Å; M353-I356 VanDerWaalsContact O-N 3.1Å; M353-H357 PolarHBondContact O-CD2 3.45Å; M353-H357 PolarHBondContact O-N 3.32Å |
| 354 | A | 97.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P350 Y351 I356 H357 I358 V385 L388 | P350-A354 WeakPolarHBondContact O-CB 3.42Å; P350-A354 PolarHBondContact O-N 2.99Å; Y351-A354 PolarHBondContact O-N 2.71Å; A354-I356 VanDerWaalsContact C-N 3.28Å; A354-I356 PolarHBondContact O-N 2.97Å; A354-H357 PolarHBondContact O-N 3.3Å; A354-I358 WeakPolarHBondContact O-CB 3.48Å; A354-I358 VanDerWaalsContact O-CG1 3.24Å; A354-I358 WeakPolarHBondContact O-CG1 3.33Å; A354-I358 PolarHBondContact O-N 3.31Å; A354-V385 HydrophobicContact CB-CG2 3.89Å; A354-L388 HydrophobicContact CB-CD2 3.99Å |
| 355 | I | 96.9 | Very high | 95.1 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 54% | 0.538 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.9 | -42.2 | 174.8 | -69.2 | 165.3 | 0 | 0 | 0 | 110.8 | Y351 V352 M353 T359 | Y351-I355 WeakPolarHBondContact O-CG1 3.32Å; Y351-I355 PolarHBondContact O-N 2.94Å; Y351-I355 VanDerWaalsContact O-N 3.11Å; V352-I355 PolarHBondContact O-N 3.11Å; M353-I355 VanDerWaalsContact C-N 3.35Å; M353-I355 PolarHBondContact O-N 2.96Å; I355-T359 WeakPolarHBondContact O-CB 3.43Å; I355-T359 PolarHBondContact O-N 3.19Å; I355-T359 PolarHBondContact O-OG1 3.48Å |
| 356 | I | 95.9 | Very high | 94.6 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 19% | 0.185 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.9 | -44.1 | 178.1 | -66.4 | -60.2 | 0 | 0 | 0 | 111.3 | L11 L14 F18 V352 M353 A354 T359 S360 | L11-I356 HydrophobicContact CD1-CD1 4.03Å; L11-I356 HydrophobicContact CD1-CG2 4.07Å; L14-I356 HydrophobicContact CB-CG2 4.02Å; F18-I356 HydrophobicContact CD2-CB 3.99Å; F18-I356 HydrophobicContact CD2-CG1 4.43Å; F18-I356 HydrophobicContact CD2-CG2 3.88Å; F18-I356 HydrophobicContact CE2-CB 3.89Å; F18-I356 HydrophobicContact CE2-CG1 3.82Å; F18-I356 HydrophobicContact CE2-CG2 4Å; V352-I356 PolarHBondContact O-N 3.12Å; M353-I356 WeakPolarHBondContact O-CB 3.38Å; M353-I356 PolarHBondContact O-N 3.4Å; M353-I356 VanDerWaalsContact O-N 3.1Å; A354-I356 VanDerWaalsContact C-N 3.28Å; A354-I356 PolarHBondContact O-N 2.97Å; I356-T359 PolarHBondContact O-N 3.17Å; I356-S360 WeakPolarHBondContact O-CB 3.19Å; I356-S360 PolarHBondContact O-N 3.27Å; I356-S360 PolarHBondContact O-OG 3.16Å |
| 357 | H | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 175.9 | -70.7 | -44.3 | 0 | 0 | 0 | 112.3 | S15 Q27 M353 A354 T359 S360 A361 V385 | S15-H357 PolarHBondContact O-CE1 2.86Å; S15-H357 PolarHBondContact OG-ND1 3.47Å; Q27-H357 PolarHBondContact NE2-NE2 3.43Å; M353-H357 PolarHBondContact O-CD2 3.45Å; M353-H357 PolarHBondContact O-N 3.32Å; A354-H357 PolarHBondContact O-N 3.3Å; H357-T359 PolarHBondContact O-N 3.19Å; H357-S360 PolarHBondContact O-N 2.86Å; H357-A361 WeakPolarHBondContact O-CB 3.23Å; H357-A361 PolarHBondContact O-N 3.42Å; H357-V385 HydrophobicContact CB-CG2 3.71Å |
| 358 | I | 95.7 | Very high | 93.2 | Very high | 67 Ų | 67 | 53 Ų | 53 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 177.8 | -68.1 | 165.1 | 0 | 0 | 0 | 110.5 | A354 S360 A361 L362 M382 V385 | A354-I358 WeakPolarHBondContact O-CB 3.48Å; A354-I358 VanDerWaalsContact O-CG1 3.24Å; A354-I358 WeakPolarHBondContact O-CG1 3.33Å; A354-I358 PolarHBondContact O-N 3.31Å; I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3Å; I358-A361 PolarHBondContact O-N 3.26Å; I358-L362 HydrophobicContact CG2-CD1 3.79Å; I358-L362 HydrophobicContact CG2-CG 4.33Å; I358-L362 WeakPolarHBondContact O-CB 3.41Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.42Å; I358-L362 PolarHBondContact O-N 2.94Å; I358-M382 HydrophobicContact CG1-SD 4.47Å; I358-V385 HydrophobicContact CD1-CG1 3.83Å; I358-V385 HydrophobicContact CG1-CG1 3.86Å; I358-V385 HydrophobicContact CG1-CG2 4.09Å |
| 359 | T | 93.8 | Very high | 92.1 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 34% | 0.344 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | -178.8 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | L11 I355 I356 H357 R363 | L11-T359 HydrophobicContact CD1-CG2 4.22Å; L11-T359 HydrophobicContact CD2-CG2 3.77Å; I355-T359 WeakPolarHBondContact O-CB 3.43Å; I355-T359 PolarHBondContact O-N 3.19Å; I355-T359 PolarHBondContact O-OG1 3.48Å; I356-T359 PolarHBondContact O-N 3.17Å; H357-T359 PolarHBondContact O-N 3.19Å; T359-R363 WeakPolarHBondContact O-CB 3.19Å; T359-R363 VanDerWaalsContact O-CG 3.32Å; T359-R363 WeakPolarHBondContact O-CG 3.49Å; T359-R363 PolarHBondContact O-N 3.22Å |
| 360 | S | 91.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -49 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | L11 S15 I356 H357 I358 L362 R363 I364 | L11-S360 WeakPolarHBondContact CG-OG 3.48Å; S15-S360 VanDerWaalsContact CB-OG 3.25Å; S15-S360 WeakPolarHBondContact CB-OG 3.44Å; I356-S360 WeakPolarHBondContact O-CB 3.19Å; I356-S360 PolarHBondContact O-N 3.27Å; I356-S360 PolarHBondContact O-OG 3.16Å; H357-S360 PolarHBondContact O-N 2.86Å; I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3Å; S360-L362 PolarHBondContact O-N 3.45Å; S360-R363 PolarHBondContact O-N 3.01Å; S360-I364 WeakPolarHBondContact O-CG1 3.32Å; S360-I364 PolarHBondContact O-N 3.37Å |
| 361 | A | 91.8 | Very high | 89.5 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 19% | 0.19 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H357 I358 I364 Y365 M382 | H357-A361 WeakPolarHBondContact O-CB 3.23Å; H357-A361 PolarHBondContact O-N 3.42Å; I358-A361 PolarHBondContact O-N 3.26Å; A361-I364 PolarHBondContact O-N 2.96Å; A361-Y365 WeakPolarHBondContact O-CB 3.36Å; A361-Y365 PolarHBondContact O-N 3.42Å; A361-M382 HydrophobicContact CB-CG 3.87Å; A361-M382 HydrophobicContact CB-SD 3.71Å |
| 362 | L | 91.5 | Very high | 88.4 | Confident | 93 Ų | 93 | 73.4 Ų | 73.4 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.3 | -73.6 | 172 | 0 | 0 | 0 | 111.9 | I358 S360 Y365 I366 | I358-L362 HydrophobicContact CG2-CD1 3.79Å; I358-L362 HydrophobicContact CG2-CG 4.33Å; I358-L362 WeakPolarHBondContact O-CB 3.41Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.42Å; I358-L362 PolarHBondContact O-N 2.94Å; S360-L362 PolarHBondContact O-N 3.45Å; L362-Y365 PolarHBondContact O-N 2.92Å; L362-I366 WeakPolarHBondContact O-CB 3.38Å; L362-I366 WeakPolarHBondContact O-CD1 3.36Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 3.43Å |
| 363 | R | 90.2 | Very high | 87.3 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.9 | -79.4 | -63.5 | -144.8 | -148.7 | -2.2 | 112.2 | D8 L11 F12 T359 S360 Y365 I366 K367 | D8-R363 WeakPolarHBondContact OD1-CD 3.39Å; D8-R363 IonicContact OD1-CZ 3.62Å; D8-R363 IonicContact OD1-NE 2.99Å; D8-R363 PolarHBondContact OD1-NE 2.94Å; D8-R363 IonicContact OD1-NH2 2.71Å; D8-R363 IonicContact OD2-NE 3.49Å; L11-R363 HydrophobicContact CD2-CB 4.35Å; L11-R363 HydrophobicContact CD2-CG 3.79Å; F12-R363 HydrophobicContact CE1-CB 3.91Å; F12-R363 HydrophobicContact CZ-CB 4Å; T359-R363 WeakPolarHBondContact O-CB 3.19Å; T359-R363 VanDerWaalsContact O-CG 3.32Å; T359-R363 WeakPolarHBondContact O-CG 3.49Å; T359-R363 PolarHBondContact O-N 3.22Å; S360-R363 PolarHBondContact O-N 3.01Å; R363-Y365 VanDerWaalsContact C-N 3.33Å; R363-Y365 PolarHBondContact O-N 2.93Å; R363-I366 PolarHBondContact O-N 2.8Å; R363-K367 WeakPolarHBondContact O-CB 3.5Å; R363-K367 PolarHBondContact O-N 2.93Å |
| 364 | I | 88.3 | Confident | 86.2 | Confident | 20 Ų | 20 | 75.6 Ų | 75.6 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 175.8 | -71 | 164.2 | 0 | 0 | 0 | 110.6 | F12 S360 A361 G368 Y369 D374 T375 A378 | F12-I364 HydrophobicContact CD1-CD1 4.4Å; F12-I364 HydrophobicContact CD1-CG1 4.4Å; F12-I364 HydrophobicContact CE1-CD1 4.11Å; F12-I364 HydrophobicContact CE1-CG1 3.67Å; F12-I364 HydrophobicContact CZ-CG1 3.77Å; S360-I364 WeakPolarHBondContact O-CG1 3.32Å; S360-I364 PolarHBondContact O-N 3.37Å; A361-I364 PolarHBondContact O-N 2.96Å; I364-G368 WeakPolarHBondContact O-CA 3.47Å; I364-G368 PolarHBondContact O-N 3.36Å; I364-Y369 WeakPolarHBondContact CG2-O 3.38Å; I364-Y369 PolarHBondContact O-N 3.4Å; I364-D374 HydrophobicContact CD1-CB 4.06Å; I364-D374 WeakPolarHBondContact CD1-O 3.4Å; I364-T375 HydrophobicContact CG2-CG2 4.21Å; I364-A378 HydrophobicContact CD1-CB 3.59Å |
| 365 | Y | 87.6 | Confident | 85.3 | Confident | 199 Ų | 199 | 77.6 Ų | 77.6 | 78% | 0.78 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.1 | -47.5 | 179 | 179.9 | -101 | 0 | 0 | 0 | 112.8 | A361 L362 R363 | A361-Y365 WeakPolarHBondContact O-CB 3.36Å; A361-Y365 PolarHBondContact O-N 3.42Å; L362-Y365 PolarHBondContact O-N 2.92Å; R363-Y365 VanDerWaalsContact C-N 3.33Å; R363-Y365 PolarHBondContact O-N 2.93Å |
| 366 | I | 87.6 | Confident | 84.6 | Confident | 119 Ų | 119 | 76.5 Ų | 76.5 | 61% | 0.61 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.2 | -40.1 | -175.9 | -69.2 | 166.4 | 0 | 0 | 0 | 112 | L362 R363 | L362-I366 WeakPolarHBondContact O-CB 3.38Å; L362-I366 WeakPolarHBondContact O-CD1 3.36Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 3.43Å; R363-I366 PolarHBondContact O-N 2.8Å |
| 367 | K | 85.9 | Confident | 83.9 | Confident | 111 Ų | 111 | 76 Ų | 76 | 48% | 0.483 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -90.6 | -11.5 | -176 | -73.2 | -74.5 | -174.9 | 172.8 | 0 | 113.7 | R363 Y369 | R363-K367 WeakPolarHBondContact O-CB 3.5Å; R363-K367 PolarHBondContact O-N 2.93Å; K367-Y369 HydrophobicContact CB-CD2 3.5Å; K367-Y369 HydrophobicContact CB-CE2 3.29Å; K367-Y369 HydrophobicContact CB-CG 4.34Å; K367-Y369 HydrophobicContact CG-CD2 4.35Å; K367-Y369 HydrophobicContact CG-CE2 3.7Å |
| 368 | G | 79.4 | Confident | 83.4 | Confident | 35 Ų | 35 | 76.5 Ų | 76.5 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 38.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I364 H370 | I364-G368 WeakPolarHBondContact O-CA 3.47Å; I364-G368 PolarHBondContact O-N 3.36Å; G368-H370 PolarHBondContact O-CD2 2.85Å; G368-H370 PolarHBondContact O-N 2.97Å; G368-H370 PolarHBondContact O-NE2 3Å |
| 369 | Y | 76.2 | Confident | 83 | Confident | 60 Ų | 60 | 76.7 Ų | 76.7 | 24% | 0.235 | 39% | 0.392 | C | S | . | . | trans | -68.8 | 119.4 | 172.9 | -70.7 | -69.4 | 0 | 0 | 0 | 109 | F12 I364 K367 | F12-Y369 AromaticContact CE2-CD2 3.81Å; F12-Y369 HydrophobicContact CE2-CD2 3.81Å; F12-Y369 AromaticContact CE2-CE2 3.96Å; F12-Y369 HydrophobicContact CE2-CE2 3.96Å; F12-Y369 HydrophobicContact CE2-CG 4.21Å; F12-Y369 AromaticContact CZ-CD2 3.69Å; F12-Y369 HydrophobicContact CZ-CD2 3.69Å; F12-Y369 AromaticContact CZ-CE2 3.94Å; F12-Y369 HydrophobicContact CZ-CE2 3.94Å; F12-Y369 HydrophobicContact CZ-CG 4.44Å; I364-Y369 WeakPolarHBondContact CG2-O 3.38Å; I364-Y369 PolarHBondContact O-N 3.4Å; K367-Y369 HydrophobicContact CB-CD2 3.5Å; K367-Y369 HydrophobicContact CB-CE2 3.29Å; K367-Y369 HydrophobicContact CB-CG 4.34Å; K367-Y369 HydrophobicContact CG-CD2 4.35Å; K367-Y369 HydrophobicContact CG-CE2 3.7Å | ||
| 370 | H | 68.6 | Low | 82.8 | Confident | 169 Ų | 169 | 75.5 Ų | 75.5 | 78% | 0.782 | 39% | 0.391 | S | S | * | . | trans | -107.3 | 16 | -176.5 | -67 | -67.6 | 0 | 0 | 0 | 113.8 | G368 L372 | G368-H370 PolarHBondContact O-CD2 2.85Å; G368-H370 PolarHBondContact O-N 2.97Å; G368-H370 PolarHBondContact O-NE2 3Å; H370-L372 PolarHBondContact O-N 3.12Å | ||
| 371 | Q | 72.4 | Confident | 82.9 | Confident | 123 Ų | 123 | 75.5 Ų | 75.5 | 58% | 0.575 | 39% | 0.391 | S | S | * | . | trans | -64.1 | 125.4 | 175 | -66.8 | -172.9 | -2.3 | 0 | 0 | 109.7 | E373 D374 T375 | Q371-E373 VanDerWaalsContact C-N 3.27Å; Q371-E373 PolarHBondContact O-N 3.35Å; Q371-D374 HydrophobicContact CB-CB 4.22Å; Q371-D374 PolarHBondContact O-N 2.86Å; Q371-D374 PolarHBondContact OE1-OD2 3.07Å; Q371-T375 PolarHBondContact O-N 2.91Å; Q371-T375 PolarHBondContact O-OG1 3.27Å; Q371-T375 VanDerWaalsContact O-OG1 3.13Å | ||
| 372 | L | 74.2 | Confident | 83.1 | Confident | 137 Ų | 137 | 77.3 Ų | 77.3 | 72% | 0.717 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.1 | -38 | -175 | -175.9 | 66.6 | 0 | 0 | 0 | 112 | H370 T375 T376 | H370-L372 PolarHBondContact O-N 3.12Å; L372-T375 WeakPolarHBondContact CA-OG1 3.33Å; L372-T375 PolarHBondContact O-OG1 3.47Å; L372-T376 WeakPolarHBondContact O-CB 3.43Å; L372-T376 PolarHBondContact O-N 3.25Å; L372-T376 PolarHBondContact O-OG1 3.14Å |
| 373 | E | 74.2 | Confident | 83.3 | Confident | 141 Ų | 141 | 79 Ų | 79 | 66% | 0.659 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.4 | -46 | 177.8 | -65.6 | -176.6 | 179 | 0 | 0 | 111.7 | Q371 T375 T376 S377 | Q371-E373 VanDerWaalsContact C-N 3.27Å; Q371-E373 PolarHBondContact O-N 3.35Å; E373-T375 PolarHBondContact O-N 3.45Å; E373-T376 PolarHBondContact O-N 2.83Å; E373-S377 PolarHBondContact O-N 3.05Å; E373-S377 PolarHBondContact O-OG 3.22Å |
| 374 | D | 75.1 | Confident | 83.6 | Confident | 9 Ų | 9 | 77 Ų | 77 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | -179.9 | -71.2 | -18.5 | 0 | 0 | 0 | 111.7 | R16 I364 Q371 A378 | R16-D374 IonicContact CZ-OD1 3.88Å; R16-D374 IonicContact NH1-OD1 2.67Å; R16-D374 PolarHBondContact NH1-OD1 3.34Å; I364-D374 HydrophobicContact CD1-CB 4.06Å; I364-D374 WeakPolarHBondContact CD1-O 3.4Å; Q371-D374 HydrophobicContact CB-CB 4.22Å; Q371-D374 PolarHBondContact O-N 2.86Å; Q371-D374 PolarHBondContact OE1-OD2 3.07Å; D374-A378 WeakPolarHBondContact O-CB 3.14Å; D374-A378 PolarHBondContact O-N 3.25Å |
| 375 | T | 79.1 | Confident | 84.1 | Confident | 51 Ų | 51 | 77 Ų | 77 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 177.8 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | I364 Q371 L372 E373 A378 S379 | I364-T375 HydrophobicContact CG2-CG2 4.21Å; Q371-T375 PolarHBondContact O-N 2.91Å; Q371-T375 PolarHBondContact O-OG1 3.27Å; Q371-T375 VanDerWaalsContact O-OG1 3.13Å; L372-T375 WeakPolarHBondContact CA-OG1 3.33Å; L372-T375 PolarHBondContact O-OG1 3.47Å; E373-T375 PolarHBondContact O-N 3.45Å; T375-A378 PolarHBondContact O-N 2.86Å; T375-S379 WeakPolarHBondContact O-CB 3.5Å; T375-S379 PolarHBondContact O-N 3.29Å |
| 376 | T | 82.4 | Confident | 84.6 | Confident | 82 Ų | 82 | 71.5 Ų | 71.5 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.4 | -49 | 177.4 | -54.2 | 0 | 0 | 0 | 0 | 111 | L372 E373 A378 S379 G380 | L372-T376 WeakPolarHBondContact O-CB 3.43Å; L372-T376 PolarHBondContact O-N 3.25Å; L372-T376 PolarHBondContact O-OG1 3.14Å; E373-T376 PolarHBondContact O-N 2.83Å; T376-A378 VanDerWaalsContact C-N 3.33Å; T376-A378 PolarHBondContact O-N 3.33Å; T376-S379 PolarHBondContact O-N 2.85Å; T376-S379 VanDerWaalsContact O-N 3.16Å; T376-S379 PolarHBondContact O-OG 2.94Å; T376-G380 PolarHBondContact O-N 3.33Å |
| 377 | S | 81 | Confident | 85.1 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 177 | -69 | 0 | 0 | 0 | 0 | 112.7 | E373 G380 G381 | E373-S377 PolarHBondContact O-N 3.05Å; E373-S377 PolarHBondContact O-OG 3.22Å; S377-G380 PolarHBondContact O-N 3.33Å; S377-G381 PolarHBondContact O-N 3.5Å |
| 378 | A | 84 | Confident | 85.7 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I364 D374 T375 T376 G381 M382 | I364-A378 HydrophobicContact CD1-CB 3.59Å; D374-A378 WeakPolarHBondContact O-CB 3.14Å; D374-A378 PolarHBondContact O-N 3.25Å; T375-A378 PolarHBondContact O-N 2.86Å; T376-A378 VanDerWaalsContact C-N 3.33Å; T376-A378 PolarHBondContact O-N 3.33Å; A378-G381 PolarHBondContact O-N 2.85Å; A378-M382 WeakPolarHBondContact O-CB 3.23Å; A378-M382 VanDerWaalsContact O-CG 3.26Å; A378-M382 WeakPolarHBondContact O-CG 3.38Å; A378-M382 PolarHBondContact O-N 3.44Å |
| 379 | S | 87.8 | Confident | 86.6 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.9 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | T375 T376 M382 M383 | T375-S379 WeakPolarHBondContact O-CB 3.5Å; T375-S379 PolarHBondContact O-N 3.29Å; T376-S379 PolarHBondContact O-N 2.85Å; T376-S379 VanDerWaalsContact O-N 3.16Å; T376-S379 PolarHBondContact O-OG 2.94Å; S379-M382 PolarHBondContact O-N 3.25Å; S379-M383 PolarHBondContact O-N 3.44Å; S379-M383 VanDerWaalsContact O-N 3.14Å |
| 380 | G | 90.7 | Very high | 87.6 | Confident | 32 Ų | 32 | 67 Ų | 67 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T376 S377 M382 M383 L384 | T376-G380 PolarHBondContact O-N 3.33Å; S377-G380 PolarHBondContact O-N 3.33Å; G380-M382 PolarHBondContact O-N 2.95Å; G380-M383 PolarHBondContact O-N 3.46Å; G380-L384 PolarHBondContact O-N 3.16Å |
| 381 | G | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S377 A378 M383 L384 V385 | S377-G381 PolarHBondContact O-N 3.5Å; A378-G381 PolarHBondContact O-N 2.85Å; G381-M383 VanDerWaalsContact C-N 3.35Å; G381-M383 PolarHBondContact O-N 2.88Å; G381-L384 WeakPolarHBondContact O-CB 3.46Å; G381-L384 PolarHBondContact O-N 3.37Å; G381-V385 WeakPolarHBondContact O-CG2 3.2Å; G381-V385 PolarHBondContact O-N 3.01Å |
| 382 | M | 95.1 | Very high | 90.3 | Very high | 61 Ų | 61 | 54 Ų | 54 | 30% | 0.3 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.1 | -34.4 | 177.1 | -73 | -55.2 | -58.7 | 0 | 0 | 112.9 | I358 A361 A378 S379 G380 L384 V385 I386 | I358-M382 HydrophobicContact CG1-SD 4.47Å; A361-M382 HydrophobicContact CB-CG 3.87Å; A361-M382 HydrophobicContact CB-SD 3.71Å; A378-M382 WeakPolarHBondContact O-CB 3.23Å; A378-M382 VanDerWaalsContact O-CG 3.26Å; A378-M382 WeakPolarHBondContact O-CG 3.38Å; A378-M382 PolarHBondContact O-N 3.44Å; S379-M382 PolarHBondContact O-N 3.25Å; G380-M382 PolarHBondContact O-N 2.95Å; M382-L384 VanDerWaalsContact C-N 3.32Å; M382-L384 PolarHBondContact O-N 3.49Å; M382-V385 PolarHBondContact O-N 3.19Å; M382-I386 VanDerWaalsContact O-CG1 3.29Å; M382-I386 WeakPolarHBondContact O-CG1 3.44Å; M382-I386 PolarHBondContact O-N 3.04Å |
| 383 | M | 95.7 | Very high | 91.5 | Very high | 130 Ų | 130 | 54 Ų | 54 | 64% | 0.64 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.9 | -39.3 | 172.9 | -73.2 | -65.2 | -164.2 | 0 | 0 | 112.1 | S379 G380 G381 I386 T387 | S379-M383 PolarHBondContact O-N 3.44Å; S379-M383 VanDerWaalsContact O-N 3.14Å; G380-M383 PolarHBondContact O-N 3.46Å; G381-M383 VanDerWaalsContact C-N 3.35Å; G381-M383 PolarHBondContact O-N 2.88Å; M383-I386 PolarHBondContact O-N 3.25Å; M383-T387 WeakPolarHBondContact O-CB 3.43Å; M383-T387 PolarHBondContact O-N 2.91Å; M383-T387 PolarHBondContact O-OG1 3.17Å |
| 384 | L | 97.2 | Very high | 92.6 | Very high | 32 Ų | 32 | 50.6 Ų | 50.6 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 175.4 | -62.3 | 167.5 | 0 | 0 | 0 | 111.3 | V24 G380 G381 M382 I386 T387 L388 | V24-L384 HydrophobicContact CG1-CD2 4.34Å; V24-L384 HydrophobicContact CG2-CD1 4.03Å; G380-L384 PolarHBondContact O-N 3.16Å; G381-L384 WeakPolarHBondContact O-CB 3.46Å; G381-L384 PolarHBondContact O-N 3.37Å; M382-L384 VanDerWaalsContact C-N 3.32Å; M382-L384 PolarHBondContact O-N 3.49Å; L384-I386 PolarHBondContact O-N 2.95Å; L384-T387 PolarHBondContact O-N 2.8Å; L384-L388 WeakPolarHBondContact O-CB 3.4Å; L384-L388 PolarHBondContact O-N 3.24Å |
| 385 | V | 97.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | A354 H357 I358 G381 M382 T387 L388 A389 | A354-V385 HydrophobicContact CB-CG2 3.89Å; H357-V385 HydrophobicContact CB-CG2 3.71Å; I358-V385 HydrophobicContact CD1-CG1 3.83Å; I358-V385 HydrophobicContact CG1-CG1 3.86Å; I358-V385 HydrophobicContact CG1-CG2 4.09Å; G381-V385 WeakPolarHBondContact O-CG2 3.2Å; G381-V385 PolarHBondContact O-N 3.01Å; M382-V385 PolarHBondContact O-N 3.19Å; V385-T387 VanDerWaalsContact C-N 3.34Å; V385-L388 PolarHBondContact O-N 2.89Å; V385-A389 WeakPolarHBondContact O-CB 3.19Å; V385-A389 PolarHBondContact O-N 3.09Å |
| 386 | I | 97.9 | Very high | 94.6 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 44% | 0.436 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 179.3 | -69.7 | 164.9 | 0 | 0 | 0 | 110.4 | M382 M383 L384 A389 I390 | M382-I386 VanDerWaalsContact O-CG1 3.29Å; M382-I386 WeakPolarHBondContact O-CG1 3.44Å; M382-I386 PolarHBondContact O-N 3.04Å; M383-I386 PolarHBondContact O-N 3.25Å; L384-I386 PolarHBondContact O-N 2.95Å; I386-A389 PolarHBondContact O-N 3.38Å; I386-I390 HydrophobicContact CG2-CD1 3.95Å; I386-I390 WeakPolarHBondContact O-CG1 3.45Å; I386-I390 PolarHBondContact O-N 3.02Å |
| 387 | T | 98.1 | Very high | 95.4 | Very high | 70 Ų | 70 | 49.6 Ų | 49.6 | 43% | 0.429 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | M383 L384 V385 A389 I390 C391 | M383-T387 WeakPolarHBondContact O-CB 3.43Å; M383-T387 PolarHBondContact O-N 2.91Å; M383-T387 PolarHBondContact O-OG1 3.17Å; L384-T387 PolarHBondContact O-N 2.8Å; V385-T387 VanDerWaalsContact C-N 3.34Å; T387-A389 VanDerWaalsContact C-N 3.35Å; T387-A389 PolarHBondContact O-N 2.7Å; T387-I390 PolarHBondContact O-N 3Å; T387-C391 PolarHBondContact O-N 2.98Å; T387-C391 PolarHBondContact O-SG 3.29Å |
| 388 | L | 98.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58 | -47.3 | 175.4 | -179.6 | 62.9 | 0 | 0 | 0 | 111 | P350 Y351 A354 L384 V385 I390 C391 T392 | P350-L388 HydrophobicContact CB-CD1 4.16Å; P350-L388 HydrophobicContact CB-CD2 3.9Å; Y351-L388 HydrophobicContact CD1-CD2 3.83Å; Y351-L388 HydrophobicContact CD1-CG 4.43Å; Y351-L388 HydrophobicContact CE1-CD1 4.26Å; Y351-L388 HydrophobicContact CE1-CD2 4.04Å; Y351-L388 HydrophobicContact CE1-CG 4.12Å; Y351-L388 HydrophobicContact CE2-CD1 4.33Å; Y351-L388 HydrophobicContact CG-CD2 4.13Å; A354-L388 HydrophobicContact CB-CD2 3.99Å; L384-L388 WeakPolarHBondContact O-CB 3.4Å; L384-L388 PolarHBondContact O-N 3.24Å; V385-L388 PolarHBondContact O-N 2.89Å; L388-I390 VanDerWaalsContact C-N 3.31Å; L388-I390 PolarHBondContact O-N 3.28Å; L388-C391 WeakPolarHBondContact O-CB 3.39Å; L388-C391 PolarHBondContact O-N 3.34Å; L388-C391 VanDerWaalsContact O-N 3.12Å; L388-T392 PolarHBondContact O-N 2.83Å; L388-T392 PolarHBondContact O-OG1 3.12Å |
| 389 | A | 98.2 | Very high | 96.8 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V385 I386 T387 F393 | V385-A389 WeakPolarHBondContact O-CB 3.19Å; V385-A389 PolarHBondContact O-N 3.09Å; I386-A389 PolarHBondContact O-N 3.38Å; T387-A389 VanDerWaalsContact C-N 3.35Å; T387-A389 PolarHBondContact O-N 2.7Å; A389-F393 WeakPolarHBondContact O-CB 3.3Å; A389-F393 PolarHBondContact O-N 3.44Å |
| 390 | I | 98.6 | Very high | 97.3 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 174.3 | -67.9 | 165.8 | 0 | 0 | 0 | 110.3 | I386 T387 L388 F393 I394 | I386-I390 HydrophobicContact CG2-CD1 3.95Å; I386-I390 WeakPolarHBondContact O-CG1 3.45Å; I386-I390 PolarHBondContact O-N 3.02Å; T387-I390 PolarHBondContact O-N 3Å; L388-I390 VanDerWaalsContact C-N 3.31Å; L388-I390 PolarHBondContact O-N 3.28Å; I390-F393 PolarHBondContact O-N 3.03Å; I390-I394 HydrophobicContact CG2-CD1 3.89Å; I390-I394 WeakPolarHBondContact O-CG1 3.48Å; I390-I394 PolarHBondContact O-N 3.3Å |
| 391 | C | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 177.4 | -71.2 | 0 | 0 | 0 | 0 | 112.1 | C31 C34 T387 L388 F393 I394 E395 | C31-C391 HydrophobicContact CB-CB 4.35Å; C34-C391 HydrophobicContact CB-CB 3.96Å; T387-C391 PolarHBondContact O-N 2.98Å; T387-C391 PolarHBondContact O-SG 3.29Å; L388-C391 WeakPolarHBondContact O-CB 3.39Å; L388-C391 PolarHBondContact O-N 3.34Å; L388-C391 VanDerWaalsContact O-N 3.12Å; C391-F393 VanDerWaalsContact C-N 3.31Å; C391-F393 PolarHBondContact O-N 3.35Å; C391-I394 PolarHBondContact O-N 3.22Å; C391-E395 WeakPolarHBondContact O-CB 3.48Å; C391-E395 PolarHBondContact O-N 3.26Å |
| 392 | T | 98.3 | Very high | 97.8 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 175.5 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | Y351 L388 E395 L396 F431 | Y351-T392 HydrophobicContact CE1-CG2 4.34Å; Y351-T392 WeakPolarHBondContact CE1-OG1 3.4Å; Y351-T392 PolarHBondContact OH-OG1 3.01Å; L388-T392 PolarHBondContact O-N 2.83Å; L388-T392 PolarHBondContact O-OG1 3.12Å; T392-E395 PolarHBondContact O-N 3.42Å; T392-L396 HydrophobicContact CG2-CD1 4Å; T392-L396 HydrophobicContact CG2-CG 4.44Å; T392-L396 WeakPolarHBondContact O-CB 3.34Å; T392-L396 WeakPolarHBondContact O-CG 3.36Å; T392-L396 PolarHBondContact O-N 2.9Å; T392-F431 HydrophobicContact CG2-CD2 3.76Å; T392-F431 HydrophobicContact CG2-CE2 3.53Å |
| 393 | F | 98.4 | Very high | 97.9 | Very high | 138 Ų | 138 | 46.3 Ų | 46.3 | 61% | 0.605 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.5 | -43.9 | 177.7 | 178.9 | -99 | 0 | 0 | 0 | 111.9 | A389 I390 C391 E395 L397 | A389-F393 WeakPolarHBondContact O-CB 3.3Å; A389-F393 PolarHBondContact O-N 3.44Å; I390-F393 PolarHBondContact O-N 3.03Å; C391-F393 VanDerWaalsContact C-N 3.31Å; C391-F393 PolarHBondContact O-N 3.35Å; F393-E395 VanDerWaalsContact C-N 3.35Å; F393-L397 HydrophobicContact CE1-CD2 4.33Å; F393-L397 VanDerWaalsContact O-CB 3.26Å; F393-L397 WeakPolarHBondContact O-CB 3.25Å; F393-L397 PolarHBondContact O-N 3.13Å |
| 394 | I | 98.5 | Very high | 98 | Very high | 69 Ų | 69 | 44.1 Ų | 44.1 | 35% | 0.354 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 176.4 | -68.2 | 166.6 | 0 | 0 | 0 | 110.5 | L35 A38 I390 C391 L397 S398 | L35-I394 HydrophobicContact CD2-CD1 4.16Å; L35-I394 HydrophobicContact CD2-CG2 4.29Å; A38-I394 HydrophobicContact CB-CG2 3.82Å; I390-I394 HydrophobicContact CG2-CD1 3.89Å; I390-I394 WeakPolarHBondContact O-CG1 3.48Å; I390-I394 PolarHBondContact O-N 3.3Å; C391-I394 PolarHBondContact O-N 3.22Å; I394-L397 PolarHBondContact O-N 3.31Å; I394-S398 PolarHBondContact O-N 3.5Å |
| 395 | E | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.5 | -55.3 | 176.4 | 178 | -175 | -166.9 | 0 | 0 | 112.3 | C34 L37 A38 W41 F347 C391 T392 F393 L397 S398 M399 M434 | C34-E395 HydrophobicContact CB-CB 4.27Å; C34-E395 PolarHBondContact SG-OE2 2.92Å; C34-E395 VanDerWaalsContact SG-OE2 3.36Å; L37-E395 WeakPolarHBondContact CD1-OE1 3.45Å; A38-E395 HydrophobicContact CB-CB 4.46Å; W41-E395 HydrophobicContact CE3-CG 4.45Å; W41-E395 HydrophobicContact CH2-CG 4.12Å; W41-E395 HydrophobicContact CZ3-CG 3.48Å; W41-E395 VanDerWaalsContact CZ3-CG 3.48Å; F347-E395 WeakPolarHBondContact CE2-OE1 3.36Å; C391-E395 WeakPolarHBondContact O-CB 3.48Å; C391-E395 PolarHBondContact O-N 3.26Å; T392-E395 PolarHBondContact O-N 3.42Å; F393-E395 VanDerWaalsContact C-N 3.35Å; E395-L397 VanDerWaalsContact C-N 3.28Å; E395-L397 PolarHBondContact O-N 2.99Å; E395-S398 PolarHBondContact O-N 3.44Å; E395-M399 WeakPolarHBondContact O-CB 3.42Å; E395-M399 PolarHBondContact O-N 2.88Å; E395-M434 HydrophobicContact CG-CE 4.01Å; E395-M434 WeakPolarHBondContact OE1-CE 3.38Å |
| 396 | L | 98.1 | Very high | 98 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.9 | -37.4 | 179.3 | -74.2 | 171.7 | 0 | 0 | 0 | 112.2 | T392 M399 W400 W427 V430 F431 M434 | T392-L396 HydrophobicContact CG2-CD1 4Å; T392-L396 HydrophobicContact CG2-CG 4.44Å; T392-L396 WeakPolarHBondContact O-CB 3.34Å; T392-L396 WeakPolarHBondContact O-CG 3.36Å; T392-L396 PolarHBondContact O-N 2.9Å; L396-M399 PolarHBondContact O-N 3.41Å; L396-W400 WeakPolarHBondContact O-CB 3.36Å; L396-W400 PolarHBondContact O-N 3.05Å; L396-W427 HydrophobicContact CD2-CE3 4.38Å; L396-V430 HydrophobicContact CD2-CG1 4.27Å; L396-F431 HydrophobicContact CD1-CB 4.25Å; L396-F431 HydrophobicContact CD1-CD2 4.31Å; L396-M434 HydrophobicContact CD2-CE 4.41Å; L396-M434 HydrophobicContact CD2-SD 3.5Å; L396-M434 VanDerWaalsContact CD2-SD 3.5Å; L396-M434 HydrophobicContact CG-SD 4.44Å |
| 397 | L | 98.2 | Very high | 97.9 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 46% | 0.455 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.7 | -43 | 177 | -178 | 63.2 | 0 | 0 | 0 | 111.6 | F393 I394 E395 W400 N401 | F393-L397 HydrophobicContact CE1-CD2 4.33Å; F393-L397 VanDerWaalsContact O-CB 3.26Å; F393-L397 WeakPolarHBondContact O-CB 3.25Å; F393-L397 PolarHBondContact O-N 3.13Å; I394-L397 PolarHBondContact O-N 3.31Å; E395-L397 VanDerWaalsContact C-N 3.28Å; E395-L397 PolarHBondContact O-N 2.99Å; L397-W400 HydrophobicContact CD1-CE3 3.98Å; L397-W400 HydrophobicContact CD1-CZ3 4.2Å; L397-N401 WeakPolarHBondContact O-CB 3.06Å; L397-N401 PolarHBondContact O-N 3.45Å |
| 398 | S | 98.3 | Very high | 97.9 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 174.6 | -83.7 | 0 | 0 | 0 | 0 | 111.8 | A38 I394 E395 N401 L402 | A38-S398 WeakPolarHBondContact O-CB 3.2Å; A38-S398 PolarHBondContact O-OG 3.23Å; I394-S398 PolarHBondContact O-N 3.5Å; E395-S398 PolarHBondContact O-N 3.44Å; S398-N401 PolarHBondContact O-N 3.38Å; S398-L402 PolarHBondContact O-N 2.69Å |
| 399 | M | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58 | -50.3 | 176.2 | -165.6 | -172.9 | -171.1 | 0 | 0 | 111.3 | W41 Y225 E226 M229 E395 L396 N401 L402 T403 W427 V430 | W41-M399 HydrophobicContact CD2-CB 4.32Å; W41-M399 HydrophobicContact CE3-CB 3.67Å; W41-M399 HydrophobicContact CE3-CG 4.24Å; W41-M399 HydrophobicContact CH2-CB 4.2Å; W41-M399 HydrophobicContact CH2-CG 4.08Å; W41-M399 HydrophobicContact CH2-SD 4.24Å; W41-M399 HydrophobicContact CZ2-CG 4.38Å; W41-M399 HydrophobicContact CZ3-CB 3.58Å; W41-M399 HydrophobicContact CZ3-CG 3.98Å; W41-M399 HydrophobicContact CZ3-SD 4.46Å; Y225-M399 HydrophobicContact CD1-CE 4.01Å; Y225-M399 HydrophobicContact CE1-CE 3.37Å; Y225-M399 HydrophobicContact CE1-SD 4.42Å; E226-M399 HydrophobicContact CB-CE 4.43Å; E226-M399 HydrophobicContact CG-CE 4.34Å; M229-M399 HydrophobicContact CB-CE 3.77Å; M229-M399 HydrophobicContact CE-CG 3.71Å; M229-M399 HydrophobicContact CG-CE 3.55Å; E395-M399 WeakPolarHBondContact O-CB 3.42Å; E395-M399 PolarHBondContact O-N 2.88Å; L396-M399 PolarHBondContact O-N 3.41Å; M399-N401 VanDerWaalsContact C-N 3.32Å; M399-N401 PolarHBondContact O-N 2.81Å; M399-L402 PolarHBondContact O-N 3.11Å; M399-T403 PolarHBondContact O-N 3.34Å; M399-T403 PolarHBondContact O-OG1 3.45Å; M399-W427 HydrophobicContact CB-CZ3 4.37Å; M399-W427 HydrophobicContact CG-CZ3 4.37Å; M399-W427 HydrophobicContact SD-CZ3 4.16Å; M399-V430 HydrophobicContact CE-CG1 4Å; M399-V430 HydrophobicContact SD-CG1 3.77Å |
| 400 | W | 97.5 | Very high | 97.8 | Very high | 89 Ų | 89 | 37.1 Ų | 37.1 | 34% | 0.337 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.6 | -43 | 176.2 | 172.2 | 79.7 | 0 | 0 | 0 | 112.3 | L396 L397 R404 W427 | L396-W400 WeakPolarHBondContact O-CB 3.36Å; L396-W400 PolarHBondContact O-N 3.05Å; L397-W400 HydrophobicContact CD1-CE3 3.98Å; L397-W400 HydrophobicContact CD1-CZ3 4.2Å; W400-R404 WeakPolarHBondContact O-CB 3.31Å; W400-R404 PolarHBondContact O-N 3.17Å; W400-W427 HydrophobicContact CB-CE3 4.38Å; W400-W427 HydrophobicContact CB-CH2 3.53Å; W400-W427 HydrophobicContact CB-CZ2 3.73Å; W400-W427 HydrophobicContact CB-CZ3 3.86Å; W400-W427 AromaticContact CD1-CE2 3.47Å; W400-W427 VanDerWaalsContact CD1-CE2 3.47Å; W400-W427 AromaticContact CD1-CZ2 3.33Å; W400-W427 AromaticContact CD1-NE1 3.64Å; W400-W427 HydrophobicContact CG-CH2 4.24Å; W400-W427 AromaticContact CG-CZ2 3.93Å; W400-W427 HydrophobicContact CG-CZ2 3.93Å |
| 401 | N | 97.7 | Very high | 97.8 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 13% | 0.134 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 179.6 | -176.7 | 25.9 | 0 | 0 | 0 | 111.7 | E45 L397 S398 M399 R404 R405 | E45-N401 WeakPolarHBondContact CG-ND2 3.41Å; L397-N401 WeakPolarHBondContact O-CB 3.06Å; L397-N401 PolarHBondContact O-N 3.45Å; S398-N401 PolarHBondContact O-N 3.38Å; M399-N401 VanDerWaalsContact C-N 3.32Å; M399-N401 PolarHBondContact O-N 2.81Å; N401-R404 PolarHBondContact O-N 3.44Å; N401-R404 PolarHBondContact OD1-NH2 2.89Å; N401-R405 PolarHBondContact O-N 3.31Å |
| 402 | L | 97.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -53.7 | 177.3 | 174.1 | 58 | 0 | 0 | 0 | 111.3 | W41 A44 E45 R48 M229 S232 S398 M399 R404 R405 E406 | W41-L402 HydrophobicContact CB-CB 4.31Å; W41-L402 HydrophobicContact CB-CD2 3.95Å; W41-L402 VanDerWaalsContact CD1-CD2 3.49Å; W41-L402 HydrophobicContact CG-CD2 3.95Å; A44-L402 HydrophobicContact CB-CD1 3.95Å; A44-L402 HydrophobicContact CB-CD2 3.87Å; E45-L402 HydrophobicContact CB-CB 4.42Å; E45-L402 HydrophobicContact CB-CD1 4.26Å; R48-L402 HydrophobicContact CG-CD1 4.41Å; M229-L402 HydrophobicContact CE-CB 4.45Å; M229-L402 HydrophobicContact CE-CD2 3.86Å; M229-L402 HydrophobicContact CE-CG 4.24Å; S232-L402 VanDerWaalsContact OG-CD2 3.25Å; S232-L402 WeakPolarHBondContact OG-CD2 3.33Å; S398-L402 PolarHBondContact O-N 2.69Å; M399-L402 PolarHBondContact O-N 3.11Å; L402-R404 VanDerWaalsContact C-N 3.25Å; L402-R404 PolarHBondContact O-N 3.32Å; L402-R405 WeakPolarHBondContact O-CA 3.39Å; L402-R405 WeakPolarHBondContact O-CB 3.45Å; L402-R405 PolarHBondContact O-N 3.08Å; L402-E406 HydrophobicContact CD1-CG 3.92Å; L402-E406 HydrophobicContact CG-CG 4.45Å; L402-E406 PolarHBondContact O-N 2.88Å |
| 403 | T | 97.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -39.5 | -179.8 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | L212 Y225 M229 M399 R405 E406 V407 L422 Y425 | L212-T403 HydrophobicContact CD1-CG2 4.4Å; Y225-T403 HydrophobicContact CE2-CG2 4.06Å; Y225-T403 WeakPolarHBondContact OH-CB 3.47Å; Y225-T403 PolarHBondContact OH-OG1 3.41Å; M229-T403 WeakPolarHBondContact CE-OG1 3.36Å; M399-T403 PolarHBondContact O-N 3.34Å; M399-T403 PolarHBondContact O-OG1 3.45Å; T403-R405 VanDerWaalsContact C-N 3.34Å; T403-R405 PolarHBondContact O-N 2.83Å; T403-E406 PolarHBondContact O-N 3.29Å; T403-V407 WeakPolarHBondContact O-CB 3.46Å; T403-V407 WeakPolarHBondContact O-CG2 3.48Å; T403-V407 PolarHBondContact O-N 3.45Å; T403-L422 HydrophobicContact CG2-CD1 4.38Å; T403-L422 HydrophobicContact CG2-CD2 4.12Å; T403-L422 HydrophobicContact CG2-CG 4.28Å; T403-Y425 HydrophobicContact CG2-CE1 4.13Å |
| 404 | R | 97.3 | Very high | 97.5 | Very high | 84 Ų | 84 | 29.7 Ų | 29.7 | 32% | 0.317 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 173.7 | 178.9 | -172.9 | 64.1 | -173.4 | 2.6 | 112.2 | W400 N401 L402 Q408 L422 | W400-R404 WeakPolarHBondContact O-CB 3.31Å; W400-R404 PolarHBondContact O-N 3.17Å; N401-R404 PolarHBondContact O-N 3.44Å; N401-R404 PolarHBondContact OD1-NH2 2.89Å; L402-R404 VanDerWaalsContact C-N 3.25Å; L402-R404 PolarHBondContact O-N 3.32Å; R404-Q408 WeakPolarHBondContact O-CB 3.29Å; R404-Q408 PolarHBondContact O-N 2.99Å; R404-L422 HydrophobicContact CB-CD1 4.49Å; R404-L422 HydrophobicContact CB-CD2 3.98Å |
| 405 | R | 97.3 | Very high | 97.2 | Very high | 54 Ų | 54 | 30.1 Ų | 30.1 | 20% | 0.204 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.1 | -40.8 | 176.8 | -73.5 | -45.6 | -172.8 | 178.6 | -3.5 | 112.7 | E45 N401 L402 T403 Q408 L409 | E45-R405 HydrophobicContact CG-CB 4.17Å; E45-R405 HydrophobicContact CG-CG 3.44Å; E45-R405 VanDerWaalsContact CG-CG 3.44Å; E45-R405 WeakPolarHBondContact OE1-CG 3.46Å; E45-R405 IonicContact OE1-CZ 3.86Å; E45-R405 IonicContact OE1-NE 2.94Å; E45-R405 PolarHBondContact OE1-NE 3.18Å; E45-R405 IonicContact OE1-NH2 2.75Å; N401-R405 PolarHBondContact O-N 3.31Å; L402-R405 WeakPolarHBondContact O-CA 3.39Å; L402-R405 WeakPolarHBondContact O-CB 3.45Å; L402-R405 PolarHBondContact O-N 3.08Å; T403-R405 VanDerWaalsContact C-N 3.34Å; T403-R405 PolarHBondContact O-N 2.83Å; R405-Q408 WeakPolarHBondContact O-CB 3.24Å; R405-Q408 PolarHBondContact O-N 2.88Å; R405-L409 WeakPolarHBondContact O-CB 3.46Å; R405-L409 PolarHBondContact O-N 3.44Å |
| 406 | E | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 176.9 | -67.3 | -172.4 | 139.2 | 0 | 0 | 110.9 | R48 L212 V296 L402 T403 Q408 L409 C410 | R48-E406 HydrophobicContact CG-CG 4.12Å; R48-E406 IonicContact CZ-OE1 3.72Å; R48-E406 IonicContact NE-OE1 3.62Å; R48-E406 PolarHBondContact NE-OE1 3.49Å; R48-E406 IonicContact NH2-OE1 2.67Å; L212-E406 HydrophobicContact CD1-CB 4.25Å; L212-E406 HydrophobicContact CD2-CB 3.96Å; V296-E406 HydrophobicContact CG2-CB 4.34Å; V296-E406 HydrophobicContact CG2-CG 4.5Å; L402-E406 HydrophobicContact CD1-CG 3.92Å; L402-E406 HydrophobicContact CG-CG 4.45Å; L402-E406 PolarHBondContact O-N 2.88Å; T403-E406 PolarHBondContact O-N 3.29Å; E406-Q408 VanDerWaalsContact C-N 3.33Å; E406-Q408 PolarHBondContact O-N 3.21Å; E406-L409 PolarHBondContact O-N 3Å; E406-L409 VanDerWaalsContact O-N 3.15Å; E406-C410 WeakPolarHBondContact O-CB 3.23Å; E406-C410 PolarHBondContact O-N 2.8Å; E406-C410 PolarHBondContact O-SG 2.96Å |
| 407 | V | 97.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 171.3 | 159 | 0 | 0 | 0 | 0 | 112 | L212 T403 L409 N411 L420 L422 | L212-V407 HydrophobicContact CD2-CG2 3.93Å; T403-V407 WeakPolarHBondContact O-CB 3.46Å; T403-V407 WeakPolarHBondContact O-CG2 3.48Å; T403-V407 PolarHBondContact O-N 3.45Å; V407-L409 VanDerWaalsContact C-N 3.34Å; V407-L409 PolarHBondContact O-N 2.86Å; V407-N411 WeakPolarHBondContact O-CB 3.15Å; V407-N411 VanDerWaalsContact O-CG 3.26Å; V407-N411 PolarHBondContact O-N 3Å; V407-N411 PolarHBondContact O-ND2 3.49Å; V407-L420 HydrophobicContact CG1-CB 3.85Å; V407-L420 WeakPolarHBondContact CG1-O 3.43Å; V407-L420 HydrophobicContact CG2-CB 4.33Å; V407-L422 HydrophobicContact CB-CD1 3.68Å; V407-L422 HydrophobicContact CG1-CD1 3.8Å; V407-L422 HydrophobicContact CG2-CD1 3.55Å |
| 408 | Q | 97.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 38.7 Ų | 38.7 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 175.1 | 172.7 | 166 | 45.4 | 0 | 0 | 111.9 | V52 R404 R405 E406 N411 M412 | V52-Q408 HydrophobicContact CG1-CG 4.15Å; V52-Q408 HydrophobicContact CG2-CG 4.34Å; R404-Q408 WeakPolarHBondContact O-CB 3.29Å; R404-Q408 PolarHBondContact O-N 2.99Å; R405-Q408 WeakPolarHBondContact O-CB 3.24Å; R405-Q408 PolarHBondContact O-N 2.88Å; E406-Q408 VanDerWaalsContact C-N 3.33Å; E406-Q408 PolarHBondContact O-N 3.21Å; Q408-N411 PolarHBondContact O-N 3.31Å; Q408-M412 HydrophobicContact CG-SD 4.13Å; Q408-M412 WeakPolarHBondContact O-CG 3.47Å; Q408-M412 PolarHBondContact O-N 3.49Å; Q408-M412 VanDerWaalsContact O-N 3.1Å |
| 409 | L | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -48.6 | 178.9 | -178.3 | 57.8 | 0 | 0 | 0 | 110.9 | R48 E51 V52 I55 P293 V296 R405 E406 V407 N411 M412 L413 | R48-L409 HydrophobicContact CB-CD2 4.43Å; E51-L409 HydrophobicContact CB-CD1 4.27Å; V52-L409 HydrophobicContact CG2-CB 3.92Å; V52-L409 HydrophobicContact CG2-CD1 4.03Å; V52-L409 HydrophobicContact CG2-CG 4.49Å; I55-L409 HydrophobicContact CD1-CD1 3.89Å; P293-L409 WeakPolarHBondContact O-CD2 3.21Å; V296-L409 HydrophobicContact CG1-CD2 3.92Å; V296-L409 HydrophobicContact CG1-CG 4.34Å; R405-L409 WeakPolarHBondContact O-CB 3.46Å; R405-L409 PolarHBondContact O-N 3.44Å; E406-L409 PolarHBondContact O-N 3Å; E406-L409 VanDerWaalsContact O-N 3.15Å; V407-L409 VanDerWaalsContact C-N 3.34Å; V407-L409 PolarHBondContact O-N 2.86Å; L409-N411 VanDerWaalsContact C-N 3.32Å; L409-N411 PolarHBondContact O-N 3.44Å; L409-M412 WeakPolarHBondContact O-CB 3.41Å; L409-M412 PolarHBondContact O-N 3.02Å; L409-L413 HydrophobicContact CD1-CD1 3.99Å; L409-L413 HydrophobicContact CD1-CG 4.05Å; L409-L413 HydrophobicContact CG-CD1 3.8Å; L409-L413 HydrophobicContact CG-CG 4.3Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 3.25Å |
| 410 | C | 97.5 | Very high | 95.9 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.5 | -44.6 | 175.2 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | P298 E406 M412 L413 S414 L420 | P298-C410 HydrophobicContact CG-CB 3.91Å; E406-C410 WeakPolarHBondContact O-CB 3.23Å; E406-C410 PolarHBondContact O-N 2.8Å; E406-C410 PolarHBondContact O-SG 2.96Å; C410-M412 VanDerWaalsContact C-N 3.27Å; C410-M412 PolarHBondContact O-N 2.91Å; C410-L413 PolarHBondContact O-N 3.11Å; C410-S414 PolarHBondContact O-N 2.89Å; C410-L420 HydrophobicContact CB-CD1 3.78Å |
| 411 | N | 97.4 | Very high | 95.7 | Very high | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -32.6 | 176.5 | -76.4 | -27.8 | 0 | 0 | 0 | 113 | V407 Q408 L409 R419 L420 | V407-N411 WeakPolarHBondContact O-CB 3.15Å; V407-N411 VanDerWaalsContact O-CG 3.26Å; V407-N411 PolarHBondContact O-N 3Å; V407-N411 PolarHBondContact O-ND2 3.49Å; Q408-N411 PolarHBondContact O-N 3.31Å; L409-N411 VanDerWaalsContact C-N 3.32Å; L409-N411 PolarHBondContact O-N 3.44Å; N411-R419 WeakPolarHBondContact OD1-CA 3.47Å; N411-L420 PolarHBondContact ND2-O 2.94Å; N411-L420 PolarHBondContact OD1-N 3.33Å |
| 412 | M | 96.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 49 Ų | 49 | 18% | 0.177 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -78.3 | -33.6 | 176.5 | -72.5 | 176.3 | 58.4 | 0 | 0 | 112.4 | V52 I55 K56 F67 Q408 L409 C410 | V52-M412 HydrophobicContact CG1-SD 3.88Å; I55-M412 HydrophobicContact CB-CE 3.48Å; I55-M412 VanDerWaalsContact CB-CE 3.48Å; I55-M412 HydrophobicContact CD1-CE 4.42Å; I55-M412 HydrophobicContact CG2-CE 3.33Å; K56-M412 HydrophobicContact CG-CE 3.73Å; K56-M412 HydrophobicContact CG-SD 4.34Å; F67-M412 VanDerWaalsContact CB-O 3.26Å; F67-M412 WeakPolarHBondContact CB-O 3.35Å; Q408-M412 HydrophobicContact CG-SD 4.13Å; Q408-M412 WeakPolarHBondContact O-CG 3.47Å; Q408-M412 PolarHBondContact O-N 3.49Å; Q408-M412 VanDerWaalsContact O-N 3.1Å; L409-M412 WeakPolarHBondContact O-CB 3.41Å; L409-M412 PolarHBondContact O-N 3.02Å; C410-M412 VanDerWaalsContact C-N 3.27Å; C410-M412 PolarHBondContact O-N 2.91Å |
| 413 | L | 97 | Very high | 95.1 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74 | -28.3 | 178.6 | -68.9 | 172.8 | 0 | 0 | 0 | 112.6 | I55 F67 H187 P188 V294 L409 C410 P415 | I55-L413 HydrophobicContact CD1-CD2 4Å; F67-L413 WeakPolarHBondContact CD2-O 3.35Å; H187-L413 HydrophobicContact CB-CB 3.73Å; P188-L413 WeakPolarHBondContact CD-O 3.21Å; V294-L413 HydrophobicContact CB-CD1 4.01Å; V294-L413 HydrophobicContact CB-CD2 4.26Å; V294-L413 HydrophobicContact CG1-CD1 4.44Å; V294-L413 HydrophobicContact CG1-CD2 4.15Å; V294-L413 WeakPolarHBondContact O-CD1 3.19Å; L409-L413 HydrophobicContact CD1-CD1 3.99Å; L409-L413 HydrophobicContact CD1-CG 4.05Å; L409-L413 HydrophobicContact CG-CD1 3.8Å; L409-L413 HydrophobicContact CG-CG 4.3Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 3.25Å; C410-L413 PolarHBondContact O-N 3.11Å; L413-P415 WeakPolarHBondContact O-CD 3.48Å |
| 414 | S | 96.1 | Very high | 94.7 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | trans | -126.1 | 70.9 | -178.8 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | H187 C410 E416 A417 | H187-S414 VanDerWaalsContact CA-OG 3.31Å; H187-S414 WeakPolarHBondContact CA-OG 3.28Å; H187-S414 WeakPolarHBondContact CB-OG 3.4Å; C410-S414 PolarHBondContact O-N 2.89Å; S414-E416 PolarHBondContact O-N 3.37Å; S414-A417 WeakPolarHBondContact O-CB 3.45Å; S414-A417 PolarHBondContact O-N 3.44Å | ||
| 415 | P | 92.8 | Very high | 94.6 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.4 | -175.3 | 24.6 | -34.1 | 0 | 0 | 0 | 114.1 | F67 L413 | F67-P415 HydrophobicContact CD1-CG 4.33Å; F67-P415 HydrophobicContact CD2-CG 4.49Å; F67-P415 HydrophobicContact CE1-CG 4.02Å; F67-P415 HydrophobicContact CE2-CG 4.19Å; F67-P415 HydrophobicContact CZ-CG 3.95Å; L413-P415 WeakPolarHBondContact O-CD 3.48Å |
| 416 | E | 90.3 | Very high | 94.5 | Very high | 184 Ų | 184 | 56.5 Ų | 56.5 | 86% | 0.86 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.7 | 178.1 | -61.4 | -177.6 | 176.2 | 0 | 0 | 113.4 | S414 | S414-E416 PolarHBondContact O-N 3.37Š|
| 417 | A | 91.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 59.5 Ų | 59.5 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -81.1 | 156.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | S414 R419 | S414-A417 WeakPolarHBondContact O-CB 3.45Å; S414-A417 PolarHBondContact O-N 3.44Å; A417-R419 PolarHBondContact O-N 3.11Å |
| 418 | P | 90.8 | Very high | 94.5 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 127 | 171.5 | -24.7 | 34.1 | 0 | 0 | 0 | 111.3 | L420 | P418-L420 PolarHBondContact O-N 3.45Š|
| 419 | R | 93.9 | Very high | 94.4 | Very high | 226 Ų | 226 | 61.3 Ų | 61.3 | 85% | 0.853 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 126.8 | -177.9 | -73.9 | -171.6 | 176.2 | 177.3 | 0.9 | 111.4 | N411 A417 | N411-R419 WeakPolarHBondContact OD1-CA 3.47Å; A417-R419 PolarHBondContact O-N 3.11Å |
| 420 | L | 94.6 | Very high | 94.4 | Very high | 24 Ų | 24 | 61.3 Ų | 61.3 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 145.5 | 172.6 | -50.4 | -177.3 | 0 | 0 | 0 | 110.1 | L214 P298 V407 C410 N411 P418 | L214-L420 HydrophobicContact CD1-CD1 4.48Å; L214-L420 HydrophobicContact CD1-CD2 3.89Å; P298-L420 HydrophobicContact CB-CD1 3.77Å; P298-L420 HydrophobicContact CG-CD1 3.49Å; P298-L420 VanDerWaalsContact CG-CD1 3.49Å; V407-L420 HydrophobicContact CG1-CB 3.85Å; V407-L420 WeakPolarHBondContact CG1-O 3.43Å; V407-L420 HydrophobicContact CG2-CB 4.33Å; C410-L420 HydrophobicContact CB-CD1 3.78Å; N411-L420 PolarHBondContact ND2-O 2.94Å; N411-L420 PolarHBondContact OD1-N 3.33Å; P418-L420 PolarHBondContact O-N 3.45Å |
| 421 | S | 93.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 63.9 Ų | 63.9 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | trans | -147.8 | 146.6 | -178.4 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | A423 | S421-A423 VanDerWaalsContact C-N 3.27Å; S421-A423 WeakPolarHBondContact OG-CB 3.38Å; S421-A423 PolarHBondContact OG-N 2.82Å; S421-A423 VanDerWaalsContact OG-N 3.1Å | ||
| 422 | L | 93.3 | Very high | 94.5 | Very high | 24 Ų | 24 | 64.8 Ų | 64.8 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -85.4 | -0.4 | 171.9 | -79.6 | 73.1 | 0 | 0 | 0 | 112.1 | T403 R404 V407 T424 Y425 W427 | T403-L422 HydrophobicContact CG2-CD1 4.38Å; T403-L422 HydrophobicContact CG2-CD2 4.12Å; T403-L422 HydrophobicContact CG2-CG 4.28Å; R404-L422 HydrophobicContact CB-CD1 4.49Å; R404-L422 HydrophobicContact CB-CD2 3.98Å; V407-L422 HydrophobicContact CB-CD1 3.68Å; V407-L422 HydrophobicContact CG1-CD1 3.8Å; V407-L422 HydrophobicContact CG2-CD1 3.55Å; L422-T424 PolarHBondContact O-N 2.9Å; L422-T424 VanDerWaalsContact O-N 3.1Å; L422-Y425 HydrophobicContact CB-CD2 4.36Å; L422-Y425 HydrophobicContact CG-CD2 4.43Å; L422-Y425 WeakPolarHBondContact O-CB 3.27Å; L422-Y425 PolarHBondContact O-N 3.3Å; L422-W427 HydrophobicContact CD2-CZ2 4.17Å |
| 423 | A | 90.7 | Very high | 94.5 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S421 | S421-A423 VanDerWaalsContact C-N 3.27Å; S421-A423 WeakPolarHBondContact OG-CB 3.38Å; S421-A423 PolarHBondContact OG-N 2.82Å; S421-A423 VanDerWaalsContact OG-N 3.1Å |
| 424 | T | 89.1 | Confident | 94.6 | Very high | 108 Ų | 108 | 63 Ų | 63 | 66% | 0.663 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7.7 | 177.9 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | Y222 L422 | Y222-T424 PolarHBondContact OH-O 3.4Å; L422-T424 PolarHBondContact O-N 2.9Å; L422-T424 VanDerWaalsContact O-N 3.1Å |
| 425 | Y | 94.4 | Very high | 94.7 | Very high | 20 Ų | 20 | 64 Ų | 64 | 8% | 0.078 | 36% | 0.358 | C | S | . | . | trans | -75.1 | 129 | -177.1 | -79.1 | -126.3 | 0 | 0 | 0 | 110.4 | D213 P215 Y222 Y225 T403 L422 W427 | D213-Y425 PolarHBondContact O-OH 3.41Å; P215-Y425 VanDerWaalsContact CD-CZ 3.45Å; P215-Y425 VanDerWaalsContact CD-OH 3.24Å; P215-Y425 WeakPolarHBondContact CD-OH 3.39Å; P215-Y425 HydrophobicContact CG-CE1 4.08Å; Y222-Y425 HydrophobicContact CE1-CD1 4.33Å; Y222-Y425 WeakPolarHBondContact OH-CA 3.29Å; Y225-Y425 HydrophobicContact CD2-CE1 4.4Å; Y225-Y425 HydrophobicContact CE1-CE1 4.21Å; Y225-Y425 AromaticContact CE2-CE1 3.96Å; Y225-Y425 HydrophobicContact CE2-CE1 3.96Å; Y225-Y425 AromaticContact CZ-CE1 3.85Å; T403-Y425 HydrophobicContact CG2-CE1 4.13Å; L422-Y425 HydrophobicContact CB-CD2 4.36Å; L422-Y425 HydrophobicContact CG-CD2 4.43Å; L422-Y425 WeakPolarHBondContact O-CB 3.27Å; L422-Y425 PolarHBondContact O-N 3.3Å; Y425-W427 HydrophobicContact CD1-CZ2 4.19Å | ||
| 426 | N | 96.3 | Very high | 94.9 | Very high | 78 Ų | 78 | 62.3 Ų | 62.3 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | trans | -99.1 | 97.3 | 172 | -176.4 | -27 | 0 | 0 | 0 | 109.2 | Y222 G428 L429 V430 | Y222-N426 HydrophobicContact CE2-CB 4.43Å; Y222-N426 PolarHBondContact OH-N 2.91Å; N426-G428 PolarHBondContact O-N 3.34Å; N426-G428 WeakPolarHBondContact OD1-CA 3.47Å; N426-G428 PolarHBondContact OD1-N 2.93Å; N426-L429 HydrophobicContact CB-CB 4.07Å; N426-L429 HydrophobicContact CB-CD1 4.04Å; N426-L429 HydrophobicContact CB-CG 4.18Å; N426-L429 CarbonylContact O-C 3.57Å; N426-L429 WeakPolarHBondContact O-CA 3.42Å; N426-L429 WeakPolarHBondContact O-CB 3.45Å; N426-L429 PolarHBondContact O-N 3.4Å; N426-L429 PolarHBondContact OD1-N 3.44Å; N426-V430 WeakPolarHBondContact O-CG2 3.29Å; N426-V430 PolarHBondContact O-N 3.01Å | ||
| 427 | W | 95.7 | Very high | 95.3 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -24.6 | -178.7 | -71.9 | 91 | 0 | 0 | 0 | 114 | L396 M399 W400 L422 Y425 V430 F431 | L396-W427 HydrophobicContact CD2-CE3 4.38Å; M399-W427 HydrophobicContact CB-CZ3 4.37Å; M399-W427 HydrophobicContact CG-CZ3 4.37Å; M399-W427 HydrophobicContact SD-CZ3 4.16Å; W400-W427 HydrophobicContact CB-CE3 4.38Å; W400-W427 HydrophobicContact CB-CH2 3.53Å; W400-W427 HydrophobicContact CB-CZ2 3.73Å; W400-W427 HydrophobicContact CB-CZ3 3.86Å; W400-W427 AromaticContact CD1-CE2 3.47Å; W400-W427 VanDerWaalsContact CD1-CE2 3.47Å; W400-W427 AromaticContact CD1-CZ2 3.33Å; W400-W427 AromaticContact CD1-NE1 3.64Å; W400-W427 HydrophobicContact CG-CH2 4.24Å; W400-W427 AromaticContact CG-CZ2 3.93Å; W400-W427 HydrophobicContact CG-CZ2 3.93Å; L422-W427 HydrophobicContact CD2-CZ2 4.17Å; Y425-W427 HydrophobicContact CD1-CZ2 4.19Å; W427-V430 HydrophobicContact CE3-CB 4.22Å; W427-V430 HydrophobicContact CE3-CG1 4.16Å; W427-V430 HydrophobicContact CE3-CG2 4.28Å; W427-V430 HydrophobicContact CZ3-CG1 4.08Å; W427-V430 PolarHBondContact O-N 2.92Å; W427-F431 PolarHBondContact O-N 3.45Å |
| 428 | G | 96.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 52.9 Ų | 52.9 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112 | N426 F431 V432 | N426-G428 PolarHBondContact O-N 3.34Å; N426-G428 WeakPolarHBondContact OD1-CA 3.47Å; N426-G428 PolarHBondContact OD1-N 2.93Å; G428-F431 PolarHBondContact O-N 3.4Å; G428-V432 WeakPolarHBondContact O-CG2 3.26Å; G428-V432 PolarHBondContact O-N 2.89Å; G428-V432 VanDerWaalsContact O-N 3.12Å |
| 429 | L | 96.7 | Very high | 95.9 | Very high | 54 Ų | 54 | 53.8 Ų | 53.8 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71.9 | -32.1 | 173.3 | -72.3 | 178 | 0 | 0 | 0 | 112.8 | Y222 N426 V432 A433 | Y222-L429 HydrophobicContact CD2-CB 3.79Å; Y222-L429 HydrophobicContact CD2-CD1 4.27Å; Y222-L429 HydrophobicContact CE2-CB 3.93Å; Y222-L429 HydrophobicContact CE2-CD1 3.96Å; Y222-L429 HydrophobicContact CG-CB 4.44Å; N426-L429 HydrophobicContact CB-CB 4.07Å; N426-L429 HydrophobicContact CB-CD1 4.04Å; N426-L429 HydrophobicContact CB-CG 4.18Å; N426-L429 CarbonylContact O-C 3.57Å; N426-L429 WeakPolarHBondContact O-CA 3.42Å; N426-L429 WeakPolarHBondContact O-CB 3.45Å; N426-L429 PolarHBondContact O-N 3.4Å; N426-L429 PolarHBondContact OD1-N 3.44Å; L429-V432 PolarHBondContact O-N 3.32Å; L429-A433 WeakPolarHBondContact O-CB 3.48Å; L429-A433 PolarHBondContact O-N 3.49Å |
| 430 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 171.2 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | Y222 Y225 L396 M399 N426 W427 V432 A433 M434 | Y222-V430 HydrophobicContact CD1-CG2 3.52Å; Y222-V430 HydrophobicContact CE1-CG2 3.72Å; Y222-V430 HydrophobicContact CG-CG2 4.41Å; Y225-V430 HydrophobicContact CE1-CG1 4.2Å; Y225-V430 HydrophobicContact CE1-CG2 4.23Å; L396-V430 HydrophobicContact CD2-CG1 4.27Å; M399-V430 HydrophobicContact CE-CG1 4Å; M399-V430 HydrophobicContact SD-CG1 3.77Å; N426-V430 WeakPolarHBondContact O-CG2 3.29Å; N426-V430 PolarHBondContact O-N 3.01Å; W427-V430 HydrophobicContact CE3-CB 4.22Å; W427-V430 HydrophobicContact CE3-CG1 4.16Å; W427-V430 HydrophobicContact CE3-CG2 4.28Å; W427-V430 HydrophobicContact CZ3-CG1 4.08Å; W427-V430 PolarHBondContact O-N 2.92Å; V430-V432 PolarHBondContact O-N 3.39Å; V430-A433 WeakPolarHBondContact O-CB 3.47Å; V430-A433 PolarHBondContact O-N 3.38Å; V430-A433 VanDerWaalsContact O-N 3.12Å; V430-M434 HydrophobicContact CG1-SD 4.38Å; V430-M434 WeakPolarHBondContact O-CG 3.37Å; V430-M434 PolarHBondContact O-N 2.8Å |
| 431 | F | 98 | Very high | 96.3 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 26% | 0.263 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 176.7 | 172.5 | -110.6 | 0 | 0 | 0 | 112.7 | Y351 T392 L396 W427 G428 A433 M434 L435 | Y351-F431 HydrophobicContact CD1-CE2 4.23Å; Y351-F431 AromaticContact CD1-CZ 3.98Å; Y351-F431 HydrophobicContact CD1-CZ 3.98Å; Y351-F431 AromaticContact CE1-CE2 3.58Å; Y351-F431 HydrophobicContact CE1-CE2 3.58Å; Y351-F431 AromaticContact CE1-CZ 3.76Å; Y351-F431 HydrophobicContact CE1-CZ 3.76Å; T392-F431 HydrophobicContact CG2-CD2 3.76Å; T392-F431 HydrophobicContact CG2-CE2 3.53Å; L396-F431 HydrophobicContact CD1-CB 4.25Å; L396-F431 HydrophobicContact CD1-CD2 4.31Å; W427-F431 PolarHBondContact O-N 3.45Å; G428-F431 PolarHBondContact O-N 3.4Å; F431-A433 VanDerWaalsContact C-N 3.28Å; F431-A433 PolarHBondContact O-N 3.37Å; F431-M434 WeakPolarHBondContact O-CB 3.34Å; F431-M434 PolarHBondContact O-N 3.41Å; F431-L435 HydrophobicContact CE1-CD1 3.97Å; F431-L435 HydrophobicContact CE2-CD1 4.25Å; F431-L435 HydrophobicContact CE2-CG 4.37Å; F431-L435 HydrophobicContact CZ-CD1 3.72Å; F431-L435 HydrophobicContact CZ-CG 4.33Å; F431-L435 PolarHBondContact O-N 3.28Å |
| 432 | V | 98 | Very high | 96.5 | Very high | 63 Ų | 63 | 39.8 Ų | 39.8 | 38% | 0.382 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L219 G428 L429 V430 L435 V436 | L219-V432 HydrophobicContact CD1-CB 4.47Å; L219-V432 HydrophobicContact CD1-CG1 3.99Å; G428-V432 WeakPolarHBondContact O-CG2 3.26Å; G428-V432 PolarHBondContact O-N 2.89Å; G428-V432 VanDerWaalsContact O-N 3.12Å; L429-V432 PolarHBondContact O-N 3.32Å; V430-V432 PolarHBondContact O-N 3.39Å; V432-L435 PolarHBondContact O-N 3.14Å; V432-V436 HydrophobicContact CG1-CG2 4.13Å; V432-V436 WeakPolarHBondContact O-CB 3.44Å; V432-V436 VanDerWaalsContact O-CG2 3.28Å; V432-V436 WeakPolarHBondContact O-CG2 3.42Å; V432-V436 PolarHBondContact O-N 2.96Å |
| 433 | A | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.4 | -40.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L219 L429 V430 F431 L435 V436 D437 | L219-A433 HydrophobicContact CD1-CB 3.95Å; L429-A433 WeakPolarHBondContact O-CB 3.48Å; L429-A433 PolarHBondContact O-N 3.49Å; V430-A433 WeakPolarHBondContact O-CB 3.47Å; V430-A433 PolarHBondContact O-N 3.38Å; V430-A433 VanDerWaalsContact O-N 3.12Å; F431-A433 VanDerWaalsContact C-N 3.28Å; F431-A433 PolarHBondContact O-N 3.37Å; A433-L435 VanDerWaalsContact C-N 3.31Å; A433-L435 PolarHBondContact O-N 2.87Å; A433-V436 PolarHBondContact O-N 2.91Å; A433-D437 WeakPolarHBondContact O-CB 3.46Å; A433-D437 PolarHBondContact O-N 2.95Å |
| 434 | M | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.9 | -46.3 | 174.3 | -64.7 | 162.1 | 77.4 | 0 | 0 | 111.5 | E226 F347 E395 L396 V430 F431 N438 | E226-M434 HydrophobicContact CB-CG 4.44Å; E226-M434 HydrophobicContact CG-CB 3.93Å; E226-M434 HydrophobicContact CG-CG 3.29Å; F347-M434 HydrophobicContact CE1-CB 4.17Å; F347-M434 HydrophobicContact CZ-CB 4.37Å; F347-M434 HydrophobicContact CZ-CE 3.84Å; E395-M434 HydrophobicContact CG-CE 4.01Å; E395-M434 WeakPolarHBondContact OE1-CE 3.38Å; L396-M434 HydrophobicContact CD2-CE 4.41Å; L396-M434 HydrophobicContact CD2-SD 3.5Å; L396-M434 VanDerWaalsContact CD2-SD 3.5Å; L396-M434 HydrophobicContact CG-SD 4.44Å; V430-M434 HydrophobicContact CG1-SD 4.38Å; V430-M434 WeakPolarHBondContact O-CG 3.37Å; V430-M434 PolarHBondContact O-N 2.8Å; F431-M434 WeakPolarHBondContact O-CB 3.34Å; F431-M434 PolarHBondContact O-N 3.41Å; M434-N438 VanDerWaalsContact O-CB 3.31Å; M434-N438 WeakPolarHBondContact O-CB 3.2Å; M434-N438 PolarHBondContact O-N 3.03Å; M434-N438 PolarHBondContact O-ND2 2.78Å |
| 435 | L | 98.2 | Very high | 97.5 | Very high | 39 Ų | 39 | 32.4 Ų | 32.4 | 20% | 0.204 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.2 | -43.4 | 178.9 | -60 | -177.9 | 0 | 0 | 0 | 111.9 | F347 Y351 F431 V432 A433 F439 | F347-L435 HydrophobicContact CE1-CD2 3.98Å; Y351-L435 HydrophobicContact CD1-CD1 4.41Å; Y351-L435 HydrophobicContact CD1-CD2 3.96Å; Y351-L435 HydrophobicContact CD2-CD2 3.3Å; Y351-L435 HydrophobicContact CE1-CD2 4.19Å; Y351-L435 HydrophobicContact CE2-CD2 3.55Å; Y351-L435 HydrophobicContact CG-CD1 4.39Å; Y351-L435 HydrophobicContact CG-CD2 3.5Å; F431-L435 HydrophobicContact CE1-CD1 3.97Å; F431-L435 HydrophobicContact CE2-CD1 4.25Å; F431-L435 HydrophobicContact CE2-CG 4.37Å; F431-L435 HydrophobicContact CZ-CD1 3.72Å; F431-L435 HydrophobicContact CZ-CG 4.33Å; F431-L435 PolarHBondContact O-N 3.28Å; V432-L435 PolarHBondContact O-N 3.14Å; A433-L435 VanDerWaalsContact C-N 3.31Å; A433-L435 PolarHBondContact O-N 2.87Å; L435-F439 WeakPolarHBondContact O-CB 3.46Å; L435-F439 PolarHBondContact O-N 2.82Å |
| 436 | V | 98.1 | Very high | 97.7 | Very high | 43 Ų | 43 | 36 Ų | 36 | 26% | 0.261 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.7 | -47 | -177.5 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | V432 A433 F439 L440 | V432-V436 HydrophobicContact CG1-CG2 4.13Å; V432-V436 WeakPolarHBondContact O-CB 3.44Å; V432-V436 VanDerWaalsContact O-CG2 3.28Å; V432-V436 WeakPolarHBondContact O-CG2 3.42Å; V432-V436 PolarHBondContact O-N 2.96Å; A433-V436 PolarHBondContact O-N 2.91Å; V436-F439 PolarHBondContact O-N 3.46Å; V436-L440 HydrophobicContact CG1-CD1 3.73Å; V436-L440 HydrophobicContact CG1-CG 4.38Å; V436-L440 WeakPolarHBondContact O-CB 3.33Å; V436-L440 WeakPolarHBondContact O-CG 3.47Å; V436-L440 PolarHBondContact O-N 3.42Å |
| 437 | D | 97.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -50.1 | -177.9 | -165.2 | 75.7 | 0 | 0 | 0 | 111.2 | C223 E226 Y310 A433 F439 L440 Y441 | C223-D437 HydrophobicContact CB-CB 4.01Å; E226-D437 WeakPolarHBondContact OE2-CB 3.38Å; Y310-D437 VanDerWaalsContact CE2-OD1 3.31Å; Y310-D437 WeakPolarHBondContact CE2-OD1 3.48Å; Y310-D437 VanDerWaalsContact CZ-OD1 3.31Å; Y310-D437 PolarHBondContact OH-OD1 3.47Å; A433-D437 WeakPolarHBondContact O-CB 3.46Å; A433-D437 PolarHBondContact O-N 2.95Å; D437-F439 VanDerWaalsContact C-N 3.26Å; D437-F439 PolarHBondContact O-N 2.96Å; D437-L440 CarbonylContact O-C 3.59Å; D437-L440 PolarHBondContact O-N 2.7Å; D437-Y441 WeakPolarHBondContact O-CB 3.42Å; D437-Y441 PolarHBondContact O-N 3.1Å |
| 438 | N | 98.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -31.5 | 176.1 | -77.4 | -81.7 | 0 | 0 | 0 | 112.7 | E226 S344 F347 V348 M434 P442 | E226-N438 PolarHBondContact OE1-ND2 3.15Å; S344-N438 WeakPolarHBondContact CA-OD1 3.32Å; S344-N438 VanDerWaalsContact CB-O 3.23Å; S344-N438 WeakPolarHBondContact CB-O 3.35Å; S344-N438 WeakPolarHBondContact CB-OD1 3.43Å; S344-N438 PolarHBondContact OG-OD1 3.14Å; S344-N438 VanDerWaalsContact OG-OD1 3.12Å; F347-N438 HydrophobicContact CD1-CB 4.04Å; V348-N438 HydrophobicContact CG2-CB 3.69Å; M434-N438 VanDerWaalsContact O-CB 3.31Å; M434-N438 WeakPolarHBondContact O-CB 3.2Å; M434-N438 PolarHBondContact O-N 3.03Å; M434-N438 PolarHBondContact O-ND2 2.78Å; N438-P442 WeakPolarHBondContact O-CD 3.49Å |
| 439 | F | 98.2 | Very high | 97.7 | Very high | 101 Ų | 101 | 36.7 Ų | 36.7 | 44% | 0.443 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.6 | -42 | 173.3 | -179.8 | -98.1 | 0 | 0 | 0 | 111.9 | W345 V348 L435 V436 D437 I443 | W345-F439 PolarHBondContact NE1-O 3.26Å; V348-F439 HydrophobicContact CG1-CB 4.39Å; V348-F439 HydrophobicContact CG1-CD2 4.19Å; V348-F439 HydrophobicContact CG2-CB 4.29Å; L435-F439 WeakPolarHBondContact O-CB 3.46Å; L435-F439 PolarHBondContact O-N 2.82Å; V436-F439 PolarHBondContact O-N 3.46Å; D437-F439 VanDerWaalsContact C-N 3.26Å; D437-F439 PolarHBondContact O-N 2.96Å; F439-I443 HydrophobicContact CD1-CD1 4.23Å; F439-I443 HydrophobicContact CE1-CD1 3.76Å; F439-I443 HydrophobicContact CZ-CD1 4.25Å |
| 440 | L | 98.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 12% | 0.12 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -78.5 | -26.1 | -176.8 | -70.9 | 178.3 | 0 | 0 | 0 | 113.5 | F307 Y310 W311 L314 V436 D437 I443 S444 | F307-L440 HydrophobicContact CE2-CD1 3.83Å; F307-L440 HydrophobicContact CZ-CD1 4.17Å; Y310-L440 HydrophobicContact CE1-CD1 3.75Å; W311-L440 HydrophobicContact CZ3-CB 4.19Å; W311-L440 HydrophobicContact CZ3-CD2 4.08Å; L314-L440 HydrophobicContact CD2-CB 3.91Å; V436-L440 HydrophobicContact CG1-CD1 3.73Å; V436-L440 HydrophobicContact CG1-CG 4.38Å; V436-L440 WeakPolarHBondContact O-CB 3.33Å; V436-L440 WeakPolarHBondContact O-CG 3.47Å; V436-L440 PolarHBondContact O-N 3.42Å; D437-L440 CarbonylContact O-C 3.59Å; D437-L440 PolarHBondContact O-N 2.7Å; L440-I443 HydrophobicContact CD2-CD1 4.37Å; L440-I443 WeakPolarHBondContact O-CB 3.32Å; L440-I443 PolarHBondContact O-N 3.38Å; L440-S444 PolarHBondContact O-N 2.89Å |
| 441 | Y | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.5 | -53 | -176.7 | 176.1 | -82.3 | 0 | 0 | 0 | 112.2 | Y227 L314 T318 L321 H340 D437 I443 S444 A445 | Y227-Y441 HydrophobicContact CE2-CD2 4.03Å; Y227-Y441 HydrophobicContact CE2-CE2 4.01Å; L314-Y441 HydrophobicContact CD1-CD2 4.05Å; T318-Y441 HydrophobicContact CG2-CD2 3.89Å; T318-Y441 HydrophobicContact CG2-CE2 3.54Å; L321-Y441 WeakPolarHBondContact CD1-OH 3.32Å; H340-Y441 HydrophobicContact CB-CE1 3.59Å; H340-Y441 AromaticContact CD2-CD1 3.9Å; H340-Y441 AromaticContact CD2-CE1 3.72Å; H340-Y441 AromaticContact CD2-CZ 3.89Å; H340-Y441 AromaticContact CE1-CD2 3.84Å; H340-Y441 AromaticContact CE1-CE2 3.4Å; H340-Y441 WeakPolarHBondContact CE1-CE2 3.33Å; H340-Y441 AromaticContact CE1-CZ 3.61Å; H340-Y441 AromaticContact CG-CE1 3.37Å; H340-Y441 AromaticContact CG-CE2 3.92Å; H340-Y441 AromaticContact CG-CZ 3.3Å; H340-Y441 AromaticContact ND1-CE1 3.73Å; H340-Y441 AromaticContact ND1-CE2 3.4Å; H340-Y441 WeakPolarHBondContact ND1-CE2 3.48Å; H340-Y441 AromaticContact ND1-CZ 3.11Å; H340-Y441 PolarHBondContact ND1-OH 2.97Å; H340-Y441 VanDerWaalsContact ND1-OH 3.07Å; H340-Y441 AromaticContact NE2-CD2 3.98Å; H340-Y441 AromaticContact NE2-CE2 3.93Å; D437-Y441 WeakPolarHBondContact O-CB 3.42Å; D437-Y441 PolarHBondContact O-N 3.1Å; Y441-I443 VanDerWaalsContact C-N 3.31Å; Y441-I443 PolarHBondContact O-N 3.46Å; Y441-S444 WeakPolarHBondContact O-CB 3.42Å; Y441-S444 PolarHBondContact O-N 3.41Å; Y441-S444 VanDerWaalsContact O-N 3.14Å; Y441-A445 HydrophobicContact CE1-CB 4.28Å; Y441-A445 WeakPolarHBondContact O-CB 3.41Å; Y441-A445 PolarHBondContact O-N 2.9Å |
| 442 | P | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -36.5 | 179.9 | -27 | 40.4 | 0 | 0 | 0 | 112.7 | C341 W345 N438 S444 A445 F446 | C341-P442 HydrophobicContact CB-CB 4.22Å; C341-P442 HydrophobicContact CB-CG 4.22Å; W345-P442 VanDerWaalsContact CD1-CG 3.46Å; W345-P442 HydrophobicContact CD2-CB 4.29Å; W345-P442 HydrophobicContact CD2-CG 4.2Å; W345-P442 HydrophobicContact CG-CG 3.94Å; W345-P442 HydrophobicContact CZ2-CB 4.08Å; N438-P442 WeakPolarHBondContact O-CD 3.49Å; P442-S444 VanDerWaalsContact C-N 3.34Å; P442-S444 PolarHBondContact O-N 3.22Å; P442-A445 PolarHBondContact O-N 3.47Å; P442-F446 WeakPolarHBondContact O-CD2 3.44Å; P442-F446 PolarHBondContact O-N 3.16Å |
| 443 | I | 98.3 | Very high | 97.4 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 35% | 0.354 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 176.1 | -55.5 | 177.7 | 0 | 0 | 0 | 109.9 | W311 W345 F439 L440 Y441 R447 | W311-I443 HydrophobicContact CH2-CB 4.3Å; W311-I443 HydrophobicContact CH2-CG2 3.91Å; W345-I443 HydrophobicContact CZ2-CG1 4.47Å; F439-I443 HydrophobicContact CD1-CD1 4.23Å; F439-I443 HydrophobicContact CE1-CD1 3.76Å; F439-I443 HydrophobicContact CZ-CD1 4.25Å; L440-I443 HydrophobicContact CD2-CD1 4.37Å; L440-I443 WeakPolarHBondContact O-CB 3.32Å; L440-I443 PolarHBondContact O-N 3.38Å; Y441-I443 VanDerWaalsContact C-N 3.31Å; Y441-I443 PolarHBondContact O-N 3.46Å; I443-R447 VanDerWaalsContact O-CB 3.25Å; I443-R447 WeakPolarHBondContact O-CB 3.48Å; I443-R447 PolarHBondContact O-N 2.94Å |
| 444 | S | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 175.8 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | L314 R315 T318 L440 Y441 P442 R447 S448 | L314-S444 PolarHBondContact O-OG 2.75Å; R315-S444 WeakPolarHBondContact CA-OG 3.49Å; R315-S444 PolarHBondContact N-OG 2.81Å; R315-S444 PolarHBondContact NH1-O 3.25Å; T318-S444 PolarHBondContact OG1-OG 2.98Å; L440-S444 PolarHBondContact O-N 2.89Å; Y441-S444 WeakPolarHBondContact O-CB 3.42Å; Y441-S444 PolarHBondContact O-N 3.41Å; Y441-S444 VanDerWaalsContact O-N 3.14Å; P442-S444 VanDerWaalsContact C-N 3.34Å; P442-S444 PolarHBondContact O-N 3.22Å; S444-R447 CarbonylContact O-C 3.58Å; S444-R447 WeakPolarHBondContact O-CB 3.33Å; S444-R447 PolarHBondContact O-N 3.24Å; S444-S448 PolarHBondContact O-N 2.9Å; S444-S448 PolarHBondContact O-OG 2.99Å |
| 445 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -50.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | T318 F337 Y441 P442 R447 S448 H449 | T318-A445 HydrophobicContact CG2-CB 3.97Å; F337-A445 HydrophobicContact CD2-CB 3.99Å; F337-A445 VanDerWaalsContact CE2-C 3.5Å; F337-A445 HydrophobicContact CE2-CB 3.41Å; F337-A445 VanDerWaalsContact CE2-CB 3.41Å; F337-A445 WeakPolarHBondContact CE2-O 3.31Å; F337-A445 HydrophobicContact CZ-CB 3.86Å; Y441-A445 HydrophobicContact CE1-CB 4.28Å; Y441-A445 WeakPolarHBondContact O-CB 3.41Å; Y441-A445 PolarHBondContact O-N 2.9Å; P442-A445 PolarHBondContact O-N 3.47Å; A445-R447 VanDerWaalsContact C-N 3.31Å; A445-R447 PolarHBondContact O-N 3.21Å; A445-S448 WeakPolarHBondContact O-CA 3.44Å; A445-S448 WeakPolarHBondContact O-CB 3.48Å; A445-S448 PolarHBondContact O-N 2.97Å; A445-H449 PolarHBondContact O-N 3.24Å |
| 446 | F | 97.9 | Very high | 96.7 | Very high | 95 Ų | 95 | 44.3 Ų | 44.3 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 174.1 | -80.7 | -72 | 0 | 0 | 0 | 112 | F337 P442 S448 H449 F450 | F337-F446 HydrophobicContact CE1-CE1 4.47Å; F337-F446 HydrophobicContact CE1-CZ 4.42Å; F337-F446 HydrophobicContact CZ-CD1 4.32Å; F337-F446 HydrophobicContact CZ-CE1 4.39Å; F337-F446 HydrophobicContact CZ-CG 4.45Å; P442-F446 WeakPolarHBondContact O-CD2 3.44Å; P442-F446 PolarHBondContact O-N 3.16Å; F446-S448 PolarHBondContact O-N 3.4Å; F446-H449 PolarHBondContact O-N 3.23Å; F446-F450 HydrophobicContact CB-CD2 4.46Å; F446-F450 HydrophobicContact CB-CE2 4.3Å; F446-F450 HydrophobicContact CD1-CE2 4.01Å; F446-F450 WeakPolarHBondContact O-CD2 3.36Å; F446-F450 PolarHBondContact O-N 3.47Å |
| 447 | R | 97.4 | Very high | 96.2 | Very high | 120 Ų | 120 | 43.4 Ų | 43.4 | 45% | 0.453 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.3 | -27.1 | 173.3 | -177.6 | 53.4 | -179.2 | 74.2 | -12.3 | 111.6 | R315 I443 S444 A445 S451 | R315-R447 VanDerWaalsContact NH1-CB 3.32Å; R315-R447 VanDerWaalsContact NH1-CG 3.31Å; R315-R447 PolarHBondContact NH1-O 2.79Å; R315-R447 VanDerWaalsContact NH1-O 3.11Å; R315-R447 PolarHBondContact NH2-O 3.01Å; I443-R447 VanDerWaalsContact O-CB 3.25Å; I443-R447 WeakPolarHBondContact O-CB 3.48Å; I443-R447 PolarHBondContact O-N 2.94Å; S444-R447 CarbonylContact O-C 3.58Å; S444-R447 WeakPolarHBondContact O-CB 3.33Å; S444-R447 PolarHBondContact O-N 3.24Å; A445-R447 VanDerWaalsContact C-N 3.31Å; A445-R447 PolarHBondContact O-N 3.21Å; R447-S451 PolarHBondContact NH1-OG 3.48Å; R447-S451 WeakPolarHBondContact O-CB 3.17Å; R447-S451 PolarHBondContact O-N 3.37Å; R447-S451 VanDerWaalsContact O-N 3.16Å |
| 448 | S | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -80.3 | -43.3 | -178.7 | -74.6 | 0 | 0 | 0 | 0 | 109.1 | R315 T318 F319 S444 A445 F446 F450 S451 Q452 | R315-S448 VanDerWaalsContact CZ-OG 3.27Å; R315-S448 PolarHBondContact NH1-OG 3.2Å; T318-S448 PolarHBondContact OG1-OG 3.47Å; F319-S448 PolarHBondContact N-OG 2.89Å; S444-S448 PolarHBondContact O-N 2.9Å; S444-S448 PolarHBondContact O-OG 2.99Å; A445-S448 WeakPolarHBondContact O-CA 3.44Å; A445-S448 WeakPolarHBondContact O-CB 3.48Å; A445-S448 PolarHBondContact O-N 2.97Å; F446-S448 PolarHBondContact O-N 3.4Å; S448-F450 PolarHBondContact O-N 3.03Å; S448-S451 CarbonylContact O-C 3.28Å; S448-S451 VanDerWaalsContact O-C 3.28Å; S448-S451 PolarHBondContact O-N 3.07Å; S448-S451 VanDerWaalsContact O-O 3.06Å; S448-Q452 PolarHBondContact O-NE2 3.29Å |
| 449 | H | 96 | Very high | 95.5 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 37% | 0.366 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.5 | -46.9 | 174.5 | -171.2 | 50.5 | 0 | 0 | 0 | 112.9 | E322 K334 F337 A445 F446 Q452 | E322-H449 IonicContact OE1-ND1 3.73Å; E322-H449 IonicContact OE2-ND1 2.78Å; E322-H449 PolarHBondContact OE2-ND1 3.19Å; E322-H449 VanDerWaalsContact OE2-ND1 3.09Å; K334-H449 PolarHBondContact NZ-ND1 3.35Å; K334-H449 VanDerWaalsContact NZ-ND1 3.17Å; F337-H449 HydrophobicContact CE2-CB 4.43Å; A445-H449 PolarHBondContact O-N 3.24Å; F446-H449 PolarHBondContact O-N 3.23Å; H449-Q452 PolarHBondContact O-NE2 2.98Å |
| 450 | F | 96.2 | Very high | 95.4 | Very high | 160 Ų | 160 | 42.4 Ų | 42.4 | 70% | 0.702 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -80.7 | -19.8 | -179.3 | -65.7 | -59.9 | 0 | 0 | 0 | 114.4 | F446 S448 | F446-F450 HydrophobicContact CB-CD2 4.46Å; F446-F450 HydrophobicContact CB-CE2 4.3Å; F446-F450 HydrophobicContact CD1-CE2 4.01Å; F446-F450 WeakPolarHBondContact O-CD2 3.36Å; F446-F450 PolarHBondContact O-N 3.47Å; S448-F450 PolarHBondContact O-N 3.03Å |
| 451 | S | 94.4 | Very high | 95.3 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | trans | -124 | 93.7 | 179.7 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | R447 S448 S453 | R447-S451 PolarHBondContact NH1-OG 3.48Å; R447-S451 WeakPolarHBondContact O-CB 3.17Å; R447-S451 PolarHBondContact O-N 3.37Å; R447-S451 VanDerWaalsContact O-N 3.16Å; S448-S451 CarbonylContact O-C 3.28Å; S448-S451 VanDerWaalsContact O-C 3.28Å; S448-S451 PolarHBondContact O-N 3.07Å; S448-S451 VanDerWaalsContact O-O 3.06Å; S451-S453 PolarHBondContact O-N 2.9Å | ||
| 452 | Q | 95.3 | Very high | 95.3 | Very high | 58 Ų | 58 | 42.9 Ų | 42.9 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | trans | -74.4 | 38.4 | 179 | -62.4 | -66.6 | -37.9 | 0 | 0 | 112.4 | E322 S448 H449 H462 L463 | E322-Q452 PolarHBondContact OE2-NE2 3.06Å; S448-Q452 PolarHBondContact O-NE2 3.29Å; H449-Q452 PolarHBondContact O-NE2 2.98Å; Q452-H462 CarbonylContact O-C 3.59Å; Q452-H462 VanDerWaalsContact O-CA 3.32Å; Q452-H462 WeakPolarHBondContact O-CA 3.27Å; Q452-L463 HydrophobicContact CB-CB 4.34Å; Q452-L463 WeakPolarHBondContact CB-O 3.5Å; Q452-L463 PolarHBondContact O-N 2.98Å | ||
| 453 | S | 96.5 | Very high | 95.3 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148.4 | 170.7 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | S451 Y461 H462 | S451-S453 PolarHBondContact O-N 2.9Å; S453-Y461 WeakPolarHBondContact CA-O 3.15Å; S453-Y461 WeakPolarHBondContact CB-O 3.25Å; S453-H462 WeakPolarHBondContact CB-ND1 3.32Å |
| 454 | I | 95.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 144.2 | 179.8 | -167 | 59.2 | 0 | 0 | 0 | 110.2 | Y272 R315 K316 F319 R460 Y461 | Y272-I454 HydrophobicContact CE2-CG2 3.82Å; R315-I454 HydrophobicContact CB-CD1 3.74Å; K316-I454 HydrophobicContact CG-CD1 4.29Å; K316-I454 HydrophobicContact CG-CG1 3.85Å; F319-I454 HydrophobicContact CD1-CB 3.84Å; F319-I454 HydrophobicContact CD1-CG2 3.42Å; F319-I454 VanDerWaalsContact CD1-CG2 3.42Å; F319-I454 HydrophobicContact CD2-CB 4.14Å; F319-I454 HydrophobicContact CE1-CB 3.92Å; F319-I454 HydrophobicContact CE1-CG2 3.31Å; F319-I454 HydrophobicContact CE2-CB 4.22Å; F319-I454 HydrophobicContact CE2-CG2 4.48Å; F319-I454 HydrophobicContact CG-CB 3.93Å; F319-I454 HydrophobicContact CG-CG1 4.44Å; F319-I454 HydrophobicContact CG-CG2 4.05Å; F319-I454 HydrophobicContact CZ-CB 4.09Å; F319-I454 HydrophobicContact CZ-CG2 3.88Å; I454-R460 CarbonylContact O-C 3.53Å; I454-R460 VanDerWaalsContact O-CA 3.29Å; I454-R460 WeakPolarHBondContact O-CA 3.38Å; I454-Y461 HydrophobicContact CG2-CD2 4.45Å; I454-Y461 PolarHBondContact N-O 3.42Å; I454-Y461 PolarHBondContact O-N 3.17Å |
| 455 | N | 92.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.5 | 169.4 | -175.6 | -12 | 0 | 0 | 0 | 108.7 | N312 G458 I459 M477 | N312-N455 PolarHBondContact ND2-O 3.41Å; N312-N455 PolarHBondContact OD1-O 3.31Å; N455-G458 WeakPolarHBondContact OD1-CA 3.42Å; N455-G458 PolarHBondContact OD1-N 3.26Å; N455-G458 VanDerWaalsContact OD1-N 3.07Å; N455-I459 WeakPolarHBondContact CA-O 3.38Å; N455-M477 PolarHBondContact ND2-O 3.01Å |
| 456 | W | 91.8 | Very high | 95 | Very high | 58 Ų | 58 | 51.8 Ų | 51.8 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 113.4 | 174.3 | 178.8 | 20.6 | 0 | 0 | 0 | 108.9 | K159 Y272 K316 G458 I459 Y461 | K159-W456 HydrophobicContact CB-CH2 3.53Å; K159-W456 HydrophobicContact CB-CZ2 4.28Å; K159-W456 HydrophobicContact CB-CZ3 4.13Å; K159-W456 HydrophobicContact CD-CH2 3.66Å; K159-W456 HydrophobicContact CD-CZ2 4.12Å; K159-W456 HydrophobicContact CG-CH2 4.17Å; Y272-W456 HydrophobicContact CE2-CE3 4.08Å; Y272-W456 HydrophobicContact CE2-CZ3 4.48Å; K316-W456 HydrophobicContact CD-CB 4.06Å; K316-W456 HydrophobicContact CD-CG 3.86Å; W456-G458 PolarHBondContact O-N 3.28Å; W456-I459 PolarHBondContact N-O 2.85Å; W456-I459 PolarHBondContact O-N 3.31Å; W456-Y461 HydrophobicContact CB-CD2 4.34Å; W456-Y461 HydrophobicContact CB-CE2 4.07Å; W456-Y461 HydrophobicContact CD2-CE2 4.49Å; W456-Y461 HydrophobicContact CE3-CD2 4.43Å; W456-Y461 AromaticContact CE3-CE2 3.79Å; W456-Y461 HydrophobicContact CE3-CE2 3.79Å |
| 457 | S | 86.8 | Confident | 95 | Very high | 23 Ų | 23 | 50 Ų | 50 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 39.3 | 177.6 | -59 | 0 | 0 | 0 | 0 | 114.2 | ||
| 458 | G | 88.4 | Confident | 95 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | 0.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | N455 W456 | N455-G458 WeakPolarHBondContact OD1-CA 3.42Å; N455-G458 PolarHBondContact OD1-N 3.26Å; N455-G458 VanDerWaalsContact OD1-N 3.07Å; W456-G458 PolarHBondContact O-N 3.28Å |
| 459 | I | 92.9 | Very high | 95 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.8 | 175.9 | -50.9 | 174.6 | 0 | 0 | 0 | 108.2 | K93 Q158 N455 W456 Y461 I471 R473 | K93-I459 HydrophobicContact CD-CD1 4.42Å; Q158-I459 HydrophobicContact CB-CD1 3.59Å; Q158-I459 HydrophobicContact CG-CD1 3.93Å; N455-I459 WeakPolarHBondContact CA-O 3.38Å; W456-I459 PolarHBondContact N-O 2.85Å; W456-I459 PolarHBondContact O-N 3.31Å; I459-Y461 HydrophobicContact CB-CE2 4.01Å; I459-Y461 HydrophobicContact CG2-CD1 4.31Å; I459-Y461 HydrophobicContact CG2-CE1 3.64Å; I459-Y461 HydrophobicContact CG2-CE2 3.93Å; I459-Y461 VanDerWaalsContact CG2-CZ 3.42Å; I459-Y461 WeakPolarHBondContact CG2-OH 3.34Å; I459-I471 HydrophobicContact CG2-CG2 3.48Å; I459-I471 VanDerWaalsContact CG2-CG2 3.48Å; I459-R473 HydrophobicContact CG2-CG 4.21Å |
| 460 | R | 95.4 | Very high | 95.1 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 117.9 | 175.5 | -176.6 | 175.4 | -66.8 | 166.3 | 0.9 | 110.3 | I454 E472 M477 | I454-R460 CarbonylContact O-C 3.53Å; I454-R460 VanDerWaalsContact O-CA 3.29Å; I454-R460 WeakPolarHBondContact O-CA 3.38Å; R460-E472 HydrophobicContact CB-CB 4.24Å; R460-E472 PolarHBondContact N-O 3.31Å; R460-E472 PolarHBondContact O-N 3.29Å; R460-M477 HydrophobicContact CB-CE 3.74Å; R460-M477 HydrophobicContact CB-SD 3.96Å |
| 461 | Y | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139.3 | 174.8 | -59.5 | -70.8 | 0 | 0 | 0 | 109.6 | Q158 Y272 S453 I454 W456 I459 I468 I471 | Q158-Y461 VanDerWaalsContact CB-OH 3.28Å; Q158-Y461 WeakPolarHBondContact CB-OH 3.34Å; Q158-Y461 PolarHBondContact N-OH 3.49Å; Y272-Y461 HydrophobicContact CD2-CD2 4.33Å; Y272-Y461 HydrophobicContact CD2-CG 4.41Å; Y272-Y461 AromaticContact CE2-CD2 4Å; Y272-Y461 HydrophobicContact CE2-CD2 4Å; Y272-Y461 HydrophobicContact CE2-CG 4.46Å; S453-Y461 WeakPolarHBondContact CA-O 3.15Å; S453-Y461 WeakPolarHBondContact CB-O 3.25Å; I454-Y461 HydrophobicContact CG2-CD2 4.45Å; I454-Y461 PolarHBondContact N-O 3.42Å; I454-Y461 PolarHBondContact O-N 3.17Å; W456-Y461 HydrophobicContact CB-CD2 4.34Å; W456-Y461 HydrophobicContact CB-CE2 4.07Å; W456-Y461 HydrophobicContact CD2-CE2 4.49Å; W456-Y461 HydrophobicContact CE3-CD2 4.43Å; W456-Y461 AromaticContact CE3-CE2 3.79Å; W456-Y461 HydrophobicContact CE3-CE2 3.79Å; I459-Y461 HydrophobicContact CB-CE2 4.01Å; I459-Y461 HydrophobicContact CG2-CD1 4.31Å; I459-Y461 HydrophobicContact CG2-CE1 3.64Å; I459-Y461 HydrophobicContact CG2-CE2 3.93Å; I459-Y461 VanDerWaalsContact CG2-CZ 3.42Å; I459-Y461 WeakPolarHBondContact CG2-OH 3.34Å; Y461-I468 HydrophobicContact CD1-CD1 3.7Å; Y461-I468 HydrophobicContact CD1-CG1 4.43Å; Y461-I468 HydrophobicContact CD1-CG2 4.29Å; Y461-I468 HydrophobicContact CE1-CD1 4.28Å; Y461-I468 HydrophobicContact CG-CD1 4.19Å; Y461-I471 HydrophobicContact CD1-CD1 4.49Å; Y461-I471 HydrophobicContact CD1-CG1 4.08Å; Y461-I471 HydrophobicContact CD1-CG2 4.18Å; Y461-I471 HydrophobicContact CE1-CD1 4.27Å; Y461-I471 HydrophobicContact CE1-CG1 4.26Å; Y461-I471 HydrophobicContact CE1-CG2 3.92Å |
| 462 | H | 97.6 | Very high | 95.1 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 15% | 0.153 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129 | 172 | -56.9 | -104.1 | 0 | 0 | 0 | 109.2 | Q452 S453 I468 F469 K470 E472 | Q452-H462 CarbonylContact O-C 3.59Å; Q452-H462 VanDerWaalsContact O-CA 3.32Å; Q452-H462 WeakPolarHBondContact O-CA 3.27Å; S453-H462 WeakPolarHBondContact CB-ND1 3.32Å; H462-I468 WeakPolarHBondContact O-CA 3.47Å; H462-F469 HydrophobicContact CB-CD1 4.12Å; H462-F469 HydrophobicContact CB-CE1 3.48Å; H462-F469 VanDerWaalsContact CB-CE1 3.48Å; H462-F469 HydrophobicContact CB-CZ 4Å; H462-F469 WeakPolarHBondContact O-CD1 3.48Å; H462-F469 PolarHBondContact O-N 3.28Å; H462-F469 VanDerWaalsContact O-N 3.09Å; H462-K470 HydrophobicContact CB-CB 4.09Å; H462-K470 PolarHBondContact N-O 2.86Å; H462-E472 IonicContact CE1-OE2 3.68Å; H462-E472 IonicContact NE2-OE1 2.71Å; H462-E472 IonicContact NE2-OE2 3.09Å; H462-E472 PolarHBondContact NE2-OE2 2.84Å |
| 463 | L | 97.7 | Very high | 94.9 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 142.5 | 177.6 | -63.6 | -179.3 | 0 | 0 | 0 | 110.8 | F319 E322 Q452 K467 I468 F469 | F319-L463 HydrophobicContact CD1-CD1 4.14Å; F319-L463 HydrophobicContact CE1-CD1 3.42Å; F319-L463 VanDerWaalsContact CE1-CD1 3.42Å; F319-L463 HydrophobicContact CE1-CD2 4.45Å; F319-L463 HydrophobicContact CE1-CG 3.67Å; F319-L463 HydrophobicContact CE2-CD1 4.19Å; F319-L463 HydrophobicContact CZ-CB 4.34Å; F319-L463 HydrophobicContact CZ-CD1 3.47Å; F319-L463 VanDerWaalsContact CZ-CD1 3.47Å; F319-L463 HydrophobicContact CZ-CG 3.55Å; E322-L463 HydrophobicContact CB-CD1 4.03Å; Q452-L463 HydrophobicContact CB-CB 4.34Å; Q452-L463 WeakPolarHBondContact CB-O 3.5Å; Q452-L463 PolarHBondContact O-N 2.98Å; L463-K467 CarbonylContact C-O 3.31Å; L463-K467 VanDerWaalsContact CA-O 3.26Å; L463-K467 WeakPolarHBondContact CA-O 3.36Å; L463-K467 VanDerWaalsContact CD2-C 3.48Å; L463-I468 HydrophobicContact CD2-CB 4.49Å; L463-I468 HydrophobicContact CD2-CG1 3.71Å; L463-F469 WeakPolarHBondContact O-CE1 3.38Å |
| 464 | K | 96.6 | Very high | 93.9 | Very high | 130 Ų | 130 | 51.5 Ų | 51.5 | 57% | 0.565 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 128.9 | 165.7 | -179.4 | 178.7 | 178.5 | -175.9 | 0 | 106.7 | G466 K467 F469 | K464-G466 PolarHBondContact O-N 3.47Å; K464-K467 PolarHBondContact N-O 2.99Å; K464-K467 PolarHBondContact O-N 3.18Å; K464-K467 VanDerWaalsContact O-O 3.12Å; K464-F469 HydrophobicContact CB-CB 4.06Å; K464-F469 HydrophobicContact CB-CD1 3.32Å; K464-F469 HydrophobicContact CB-CE1 3.83Å; K464-F469 HydrophobicContact CB-CG 3.73Å |
| 465 | D | 95.3 | Very high | 92.6 | Very high | 115 Ų | 115 | 61.7 Ų | 61.7 | 62% | 0.615 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41.4 | -177.2 | -53.9 | -47 | 0 | 0 | 0 | 112.7 | Y324 K467 | Y324-D465 WeakPolarHBondContact CE2-O 3.49Å; Y324-D465 WeakPolarHBondContact OH-CA 3.46Å; Y324-D465 PolarHBondContact OH-O 2.89Å; D465-K467 PolarHBondContact O-N 3.48Å |
| 466 | G | 96.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | -0.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E322 S323 Y324 K464 | E322-G466 WeakPolarHBondContact O-CA 3.45Å; S323-G466 VanDerWaalsContact CA-O 3.23Å; S323-G466 WeakPolarHBondContact CA-O 3.48Å; Y324-G466 PolarHBondContact N-O 3.27Å; Y324-G466 VanDerWaalsContact N-O 3.12Å; K464-G466 PolarHBondContact O-N 3.47Å |
| 467 | K | 97.9 | Very high | 89.5 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.9 | -173.2 | -71.9 | -176.1 | 179.7 | -177.9 | 0 | 111.9 | D269 L463 K464 D465 F469 | D269-K467 VanDerWaalsContact CG-NZ 3.26Å; D269-K467 IonicContact OD1-NZ 2.66Å; D269-K467 PolarHBondContact OD1-NZ 2.95Å; D269-K467 IonicContact OD2-NZ 3.66Å; D269-K467 PolarHBondContact OD2-NZ 3Å; L463-K467 CarbonylContact C-O 3.31Å; L463-K467 VanDerWaalsContact CA-O 3.26Å; L463-K467 WeakPolarHBondContact CA-O 3.36Å; L463-K467 VanDerWaalsContact CD2-C 3.48Å; K464-K467 PolarHBondContact N-O 2.99Å; K464-K467 PolarHBondContact O-N 3.18Å; K464-K467 VanDerWaalsContact O-O 3.12Å; D465-K467 PolarHBondContact O-N 3.48Å; K467-F469 PolarHBondContact O-N 2.87Å; K467-F469 VanDerWaalsContact O-N 3.13Å |
| 468 | I | 97.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 115.3 | 170.8 | -65 | 174.5 | 0 | 0 | 0 | 108.4 | S157 G270 G271 Y272 Y461 H462 L463 I471 | S157-I468 VanDerWaalsContact N-CD1 3.33Å; G270-I468 PolarHBondContact O-N 3.3Å; G271-I468 WeakPolarHBondContact O-CD1 3.42Å; Y272-I468 HydrophobicContact CD2-CD1 4.14Å; Y461-I468 HydrophobicContact CD1-CD1 3.7Å; Y461-I468 HydrophobicContact CD1-CG1 4.43Å; Y461-I468 HydrophobicContact CD1-CG2 4.29Å; Y461-I468 HydrophobicContact CE1-CD1 4.28Å; Y461-I468 HydrophobicContact CG-CD1 4.19Å; H462-I468 WeakPolarHBondContact O-CA 3.47Å; L463-I468 HydrophobicContact CD2-CB 4.49Å; L463-I468 HydrophobicContact CD2-CG1 3.71Å; I468-I471 HydrophobicContact CG2-CD1 3.99Å; I468-I471 HydrophobicContact CG2-CG1 3.56Å |
| 469 | F | 96.8 | Very high | 86.1 | Confident | 125 Ų | 125 | 67.8 Ų | 67.8 | 55% | 0.548 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -18.2 | 175.3 | 82.6 | -80.3 | 0 | 0 | 0 | 112.6 | H462 L463 K464 K467 | H462-F469 HydrophobicContact CB-CD1 4.12Å; H462-F469 HydrophobicContact CB-CE1 3.48Å; H462-F469 VanDerWaalsContact CB-CE1 3.48Å; H462-F469 HydrophobicContact CB-CZ 4Å; H462-F469 WeakPolarHBondContact O-CD1 3.48Å; H462-F469 PolarHBondContact O-N 3.28Å; H462-F469 VanDerWaalsContact O-N 3.09Å; L463-F469 WeakPolarHBondContact O-CE1 3.38Å; K464-F469 HydrophobicContact CB-CB 4.06Å; K464-F469 HydrophobicContact CB-CD1 3.32Å; K464-F469 HydrophobicContact CB-CE1 3.83Å; K464-F469 HydrophobicContact CB-CG 3.73Å; K467-F469 PolarHBondContact O-N 2.87Å; K467-F469 VanDerWaalsContact O-N 3.13Å |
| 470 | K | 97 | Very high | 84 | Confident | 96 Ų | 96 | 73.1 Ų | 73.1 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 136.4 | 179.6 | -172.7 | -171.1 | -169.6 | -169.4 | 0 | 110.7 | H462 E472 | H462-K470 HydrophobicContact CB-CB 4.09Å; H462-K470 PolarHBondContact N-O 2.86Å; K470-E472 HydrophobicContact CD-CG 4.23Å; K470-E472 WeakPolarHBondContact CE-OE1 3.36Å; K470-E472 HydrophobicContact CG-CG 4.35Å; K470-E472 IonicContact NZ-OE1 3.58Å; K470-E472 PolarHBondContact NZ-OE1 2.73Å |
| 471 | I | 97.1 | Very high | 82.1 | Confident | 31 Ų | 31 | 72.7 Ų | 72.7 | 16% | 0.159 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.6 | 176.9 | -51.9 | 178.2 | 0 | 0 | 0 | 107.8 | S153 C156 I459 Y461 I468 | S153-I471 WeakPolarHBondContact OG-CD1 3.4Å; C156-I471 VanDerWaalsContact O-CD1 3.29Å; C156-I471 WeakPolarHBondContact O-CD1 3.49Å; I459-I471 HydrophobicContact CG2-CG2 3.48Å; I459-I471 VanDerWaalsContact CG2-CG2 3.48Å; Y461-I471 HydrophobicContact CD1-CD1 4.49Å; Y461-I471 HydrophobicContact CD1-CG1 4.08Å; Y461-I471 HydrophobicContact CD1-CG2 4.18Å; Y461-I471 HydrophobicContact CE1-CD1 4.27Å; Y461-I471 HydrophobicContact CE1-CG1 4.26Å; Y461-I471 HydrophobicContact CE1-CG2 3.92Å; I468-I471 HydrophobicContact CG2-CD1 3.99Å; I468-I471 HydrophobicContact CG2-CG1 3.56Å |
| 472 | E | 94.9 | Very high | 80.3 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 13% | 0.131 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.6 | 176.8 | -63.5 | 179 | 153.9 | 0 | 0 | 109.9 | R460 H462 K470 M477 | R460-E472 HydrophobicContact CB-CB 4.24Å; R460-E472 PolarHBondContact N-O 3.31Å; R460-E472 PolarHBondContact O-N 3.29Å; H462-E472 IonicContact CE1-OE2 3.68Å; H462-E472 IonicContact NE2-OE1 2.71Å; H462-E472 IonicContact NE2-OE2 3.09Å; H462-E472 PolarHBondContact NE2-OE2 2.84Å; K470-E472 HydrophobicContact CD-CG 4.23Å; K470-E472 WeakPolarHBondContact CE-OE1 3.36Å; K470-E472 HydrophobicContact CG-CG 4.35Å; K470-E472 IonicContact NZ-OE1 3.58Å; K470-E472 PolarHBondContact NZ-OE1 2.73Å; E472-M477 HydrophobicContact CB-CE 3.73Å; E472-M477 WeakPolarHBondContact O-CE 3.48Å |
| 473 | R | 90.2 | Very high | 78.4 | Confident | 81 Ų | 81 | 72.8 Ų | 72.8 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 107.6 | 173.4 | -62.5 | 176.7 | -179.2 | 87 | -1.9 | 106.9 | S153 I459 | S153-R473 VanDerWaalsContact N-NH2 3.11Å; S153-R473 PolarHBondContact O-NH1 3.35Å; S153-R473 VanDerWaalsContact O-NH1 3.11Å; S153-R473 PolarHBondContact O-NH2 3.3Å; S153-R473 PolarHBondContact OG-NH2 2.7Å; S153-R473 VanDerWaalsContact OG-NH2 3.08Å; I459-R473 HydrophobicContact CG2-CG 4.21Å |
| 474 | R | 76.9 | Confident | 76.7 | Confident | 136 Ų | 136 | 73.6 Ų | 73.6 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | trans | -123.2 | 142.9 | 176.9 | -54.3 | 177.1 | 179.9 | -165.3 | -1.5 | 109.1 | D476 M477 | R474-D476 WeakPolarHBondContact CB-OD1 3.24Å; R474-D476 PolarHBondContact O-N 3.34Å; R474-M477 HydrophobicContact CB-CB 4.27Å; R474-M477 HydrophobicContact CB-CE 3.88Å; R474-M477 HydrophobicContact CB-CG 3.9Å; R474-M477 HydrophobicContact CB-SD 4.38Å; R474-M477 HydrophobicContact CG-CE 3.7Å; R474-M477 HydrophobicContact CG-CG 4.29Å; R474-M477 HydrophobicContact CG-SD 4.17Å; R474-M477 PolarHBondContact O-N 3.37Å | ||
| 475 | K | 66.2 | Low | 74.8 | Confident | 220 Ų | 220 | 67.7 Ų | 67.7 | 96% | 0.957 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.8 | -178.3 | -68.4 | -174.6 | 178 | -178.3 | 0 | 112.9 | ||
| 476 | D | 63.4 | Low | 72.6 | Confident | 122 Ų | 122 | 62.2 Ų | 62.2 | 65% | 0.652 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -13.8 | 177.3 | 64.9 | -39 | 0 | 0 | 0 | 113.9 | R474 | R474-D476 WeakPolarHBondContact CB-OD1 3.24Å; R474-D476 PolarHBondContact O-N 3.34Å |
| 477 | M | 56.3 | Low | 70.3 | Confident | 16 Ų | 16 | 66.3 Ų | 66.3 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -83.9 | -5.3 | -174.3 | -78.5 | -163.8 | -45 | 0 | 0 | 114.9 | N455 R460 E472 R474 | N455-M477 PolarHBondContact ND2-O 3.01Å; R460-M477 HydrophobicContact CB-CE 3.74Å; R460-M477 HydrophobicContact CB-SD 3.96Å; E472-M477 HydrophobicContact CB-CE 3.73Å; E472-M477 WeakPolarHBondContact O-CE 3.48Å; R474-M477 HydrophobicContact CB-CB 4.27Å; R474-M477 HydrophobicContact CB-CE 3.88Å; R474-M477 HydrophobicContact CB-CG 3.9Å; R474-M477 HydrophobicContact CB-SD 4.38Å; R474-M477 HydrophobicContact CG-CE 3.7Å; R474-M477 HydrophobicContact CG-CG 4.29Å; R474-M477 HydrophobicContact CG-SD 4.17Å; R474-M477 PolarHBondContact O-N 3.37Å |
| 478 | G | 53.4 | Low | 67.6 | Low | 38 Ų | 38 | 69.6 Ų | 69.6 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | trans | -108.1 | 137.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 479 | P | 51.4 | Low | 64.8 | Low | 83 Ų | 83 | 72.5 Ų | 72.5 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | trans | -64.7 | 146.1 | 130.3 | 30.2 | -27.8 | 0 | 0 | 0 | 108.6 | K481 | P479-K481 PolarHBondContact O-N 3.15Š| ||
| 480 | T | 49 | Very low | 61.6 | Low | 118 Ų | 118 | 76.1 Ų | 76.1 | 72% | 0.724 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -66.2 | 12.9 | 172.4 | -6.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 481 | K | 54.8 | Low | 58.2 | Low | 73 Ų | 73 | 75 Ų | 75 | 32% | 0.317 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -138.2 | 145.3 | -161.4 | -55.6 | -175 | -175.6 | 175.6 | 0 | 111.4 | P479 K487 | P479-K481 PolarHBondContact O-N 3.15Å; K481-K487 HydrophobicContact CD-CB 4.39Å; K481-K487 HydrophobicContact CD-CG 4.02Å; K481-K487 PolarHBondContact NZ-O 3.44Å |
| 482 | T | 60.5 | Low | 54.8 | Low | 21 Ų | 21 | 82.5 Ų | 82.5 | 13% | 0.129 | 42% | 0.415 | C | S | . | . | trans | -66.1 | 148.5 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | K93 R309 L484 G485 | K93-T482 WeakPolarHBondContact O-CG2 3.33Å; R309-T482 PolarHBondContact NH2-O 3.29Å; T482-L484 PolarHBondContact O-N 2.92Å; T482-L484 VanDerWaalsContact O-N 3.08Å; T482-G485 PolarHBondContact O-N 3.13Å; T482-G485 VanDerWaalsContact O-N 3.15Å; T482-G485 VanDerWaalsContact OG1-CA 3.24Å; T482-G485 WeakPolarHBondContact OG1-CA 3.16Å; T482-G485 PolarHBondContact OG1-N 3.48Å; T482-G485 VanDerWaalsContact OG1-N 3.09Å | ||
| 483 | D | 56.1 | Low | 51.6 | Low | 15 Ų | 15 | 91 Ų | 91 | 8% | 0.08 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29 | -175.8 | -72.2 | -53.2 | 0 | 0 | 0 | 113.1 | R309 N312 K316 | R309-D483 PolarHBondContact NE-O 3.4Å; R309-D483 VanDerWaalsContact NH2-C 3.25Å; R309-D483 PolarHBondContact NH2-O 2.97Å; N312-D483 PolarHBondContact ND2-OD1 3.15Å; N312-D483 PolarHBondContact ND2-OD2 3.28Å; K316-D483 WeakPolarHBondContact CE-OD2 3.07Å; K316-D483 IonicContact NZ-OD2 3.73Å; K316-D483 PolarHBondContact NZ-OD2 3.29Å |
| 484 | L | 62.9 | Low | 48.6 | Very low | 24 Ų | 24 | 90.9 Ų | 90.9 | 13% | 0.126 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -1.2 | -180 | -57.8 | -176.9 | 0 | 0 | 0 | 114.4 | I224 L301 A302 L305 R309 Y313 T482 | I224-L484 HydrophobicContact CD1-CD2 3.48Å; I224-L484 VanDerWaalsContact CD1-CD2 3.48Å; L301-L484 HydrophobicContact CD2-CD1 4.37Å; A302-L484 WeakPolarHBondContact CB-O 3.45Å; A302-L484 PolarHBondContact N-O 3.47Å; L305-L484 HydrophobicContact CD1-CD2 4.29Å; R309-L484 VanDerWaalsContact NH2-C 3.26Å; Y313-L484 HydrophobicContact CD2-CD1 4.07Å; Y313-L484 HydrophobicContact CD2-CD2 3.95Å; Y313-L484 HydrophobicContact CD2-CG 4.33Å; Y313-L484 HydrophobicContact CE2-CD1 4.12Å; Y313-L484 HydrophobicContact CG-CD2 4.36Å; T482-L484 PolarHBondContact O-N 2.92Å; T482-L484 VanDerWaalsContact O-N 3.08Å |
| 485 | G | 55.9 | Low | 46.1 | Very low | 6 Ų | 6 | 88.6 Ų | 88.6 | 6% | 0.062 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -89.5 | 137.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R309 T482 | R309-G485 PolarHBondContact NH1-O 3.02Å; R309-G485 PolarHBondContact NH2-O 3.47Å; T482-G485 PolarHBondContact O-N 3.13Å; T482-G485 VanDerWaalsContact O-N 3.15Å; T482-G485 VanDerWaalsContact OG1-CA 3.24Å; T482-G485 WeakPolarHBondContact OG1-CA 3.16Å; T482-G485 PolarHBondContact OG1-N 3.48Å; T482-G485 VanDerWaalsContact OG1-N 3.09Å |
| 486 | G | 49.8 | Very low | 44.4 | Very low | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 48% | 0.478 | C | S | . | . | trans | -64.1 | 153.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E97 D304 | E97-G486 WeakPolarHBondContact OE2-CA 3.48Å; D304-G486 WeakPolarHBondContact OD1-CA 3.26Å | ||
| 487 | K | 47.1 | Very low | 42.9 | Very low | 91 Ų | 91 | 87.2 Ų | 87.2 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -74.4 | -28.7 | 176.6 | -78.5 | 172.8 | -147.5 | 159.3 | 0 | 114.9 | D304 K481 L489 | D304-K487 PolarHBondContact OD1-N 2.66Å; D304-K487 WeakPolarHBondContact OD2-CB 3.4Å; D304-K487 WeakPolarHBondContact OD2-CD 3.4Å; D304-K487 WeakPolarHBondContact OD2-CE 3.23Å; D304-K487 WeakPolarHBondContact OD2-CG 3.41Å; D304-K487 PolarHBondContact OD2-N 3.38Å; D304-K487 IonicContact OD2-NZ 3.69Å; K481-K487 HydrophobicContact CD-CB 4.39Å; K481-K487 HydrophobicContact CD-CG 4.02Å; K481-K487 PolarHBondContact NZ-O 3.44Å; K487-L489 PolarHBondContact O-N 3.42Å |
| 488 | H | 41.6 | Very low | 41.8 | Very low | 127 Ų | 127 | 96.3 Ų | 96.3 | 59% | 0.588 | 53% | 0.529 | S | S | * | . | trans | -104.4 | 74.7 | -163.9 | -68.2 | -65.3 | 0 | 0 | 0 | 112.5 | ||||
| 489 | L | 40.6 | Very low | 40.8 | Very low | 72 Ų | 72 | 98.3 Ų | 98.3 | 38% | 0.377 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -76.6 | -24.9 | 173.1 | -70.9 | 164.4 | 0 | 0 | 0 | 113 | F95 K487 | F95-L489 HydrophobicContact CD1-CD1 3.45Å; F95-L489 VanDerWaalsContact CD1-CD1 3.45Å; F95-L489 HydrophobicContact CD1-CD2 4.28Å; F95-L489 HydrophobicContact CE1-CD1 3.65Å; F95-L489 HydrophobicContact CE1-CD2 3.71Å; F95-L489 HydrophobicContact CE1-CG 4.31Å; K487-L489 PolarHBondContact O-N 3.42Å |
| 490 | Y | 29 | Very low | 40.2 | Very low | 201 Ų | 201 | 97.7 Ų | 97.7 | 79% | 0.788 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -119.4 | 111.1 | 173.1 | -66.4 | -80 | 0 | 0 | 0 | 108.5 | K492 | Y490-K492 PolarHBondContact O-N 3.01Å; Y490-K492 VanDerWaalsContact O-N 3.12Å |
| 491 | G | 25.7 | Very low | 40.1 | Very low | 72 Ų | 72 | 100.1 Ų | 100.1 | 74% | 0.742 | 54% | 0.54 | S | S | * | . | trans | -52.9 | 117.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | K493 | G491-K493 PolarHBondContact O-N 3.28Š| ||
| 492 | K | 26 | Very low | 39.5 | Very low | 188 Ų | 188 | 103.2 Ų | 103.2 | 82% | 0.817 | 56% | 0.559 | S | S | * | * | trans | -63.9 | 116.2 | 152.2 | -88.6 | -173 | 174.2 | -177.2 | 0 | 105.5 | Y490 G494 | Y490-K492 PolarHBondContact O-N 3.01Å; Y490-K492 VanDerWaalsContact O-N 3.12Å; K492-G494 PolarHBondContact O-N 3.02Å | ||
| 493 | K | 26.6 | Very low | 38.8 | Very low | 207 Ų | 207 | 104.5 Ų | 104.5 | 90% | 0.9 | 57% | 0.569 | S | S | * | * | trans | -37.5 | 127.3 | 166.2 | -79.2 | -178.8 | 174.5 | 179.8 | 0 | 108.5 | G491 A495 | G491-K493 PolarHBondContact O-N 3.28Å; K493-A495 PolarHBondContact O-N 3.37Å | ||
| 494 | G | 26.5 | Very low | 38.1 | Very low | 78 Ų | 78 | 106.3 Ų | 106.3 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | trans | -43.1 | 121.8 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K492 | K492-G494 PolarHBondContact O-N 3.02Š| ||
| 495 | A | 26.2 | Very low | 37 | Very low | 89 Ų | 89 | 109.5 Ų | 109.5 | 74% | 0.736 | 60% | 0.6 | S | S | * | * | trans | -88.7 | 126.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | K493 Q497 | K493-A495 PolarHBondContact O-N 3.37Å; A495-Q497 PolarHBondContact O-N 3.05Å | ||
| 496 | P | 29.8 | Very low | 36.6 | Very low | 123 Ų | 123 | 111.2 Ų | 111.2 | 80% | 0.799 | 62% | 0.617 | S | S | * | * | trans | -61.9 | 134.6 | -176.5 | 14.7 | -16.1 | 0 | 0 | 0 | 109.6 | K498 | P496-K498 PolarHBondContact O-N 3.48Š| ||
| 497 | Q | 32.6 | Very low | 36.5 | Very low | 190 Ų | 190 | 119.4 Ų | 119.4 | 89% | 0.888 | 65% | 0.648 | S | S | * | * | trans | -50.1 | 114.5 | 175.9 | -73.5 | 179.3 | -26.3 | 0 | 0 | 108.7 | A495 A499 | A495-Q497 PolarHBondContact O-N 3.05Å; Q497-A499 PolarHBondContact O-N 2.9Å | ||
| 498 | K | 32.2 | Very low | 36.4 | Very low | 206 Ų | 206 | 120.3 Ų | 120.3 | 90% | 0.896 | 66% | 0.658 | S | S | * | * | trans | -56.7 | 106.5 | 166.4 | -82.2 | -174.9 | 174.6 | -178 | 0 | 106.2 | P496 S500 | P496-K498 PolarHBondContact O-N 3.48Å; K498-S500 PolarHBondContact O-N 3.23Å | ||
| 499 | A | 33.6 | Very low | 36.5 | Very low | 80 Ų | 80 | 119.8 Ų | 119.8 | 66% | 0.661 | 66% | 0.658 | S | S | * | * | trans | -50 | 111.3 | 178 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q497 | Q497-A499 PolarHBondContact O-N 2.9Š| ||
| 500 | S | 36.9 | Very low | 36.8 | Very low | 71 Ų | 71 | 119.3 Ų | 119.3 | 50% | 0.497 | 67% | 0.665 | S | S | . | * | trans | -66.6 | 141 | 174.7 | 69.8 | 0 | 0 | 0 | 0 | 107.7 | K498 L502 S503 | K498-S500 PolarHBondContact O-N 3.23Å; S500-L502 PolarHBondContact O-N 3.43Å; S500-S503 WeakPolarHBondContact O-CB 3.39Å; S500-S503 PolarHBondContact O-N 2.99Å; S500-S503 PolarHBondContact O-OG 3.07Å | ||
| 501 | F | 48.2 | Very low | 37.6 | Very low | 168 Ų | 168 | 116.5 Ų | 116.5 | 74% | 0.737 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -51.8 | -23.2 | 177.7 | -174.2 | -99.8 | 0 | 0 | 0 | 113.3 | S504 | F501-S504 PolarHBondContact O-OG 3.48Å |
| 502 | L | 42.2 | Very low | 38.3 | Very low | 139 Ų | 139 | 124 Ų | 124 | 73% | 0.728 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -75.5 | -30 | 175 | -67.5 | 169.5 | 0 | 0 | 0 | 113.1 | S500 G506 | S500-L502 PolarHBondContact O-N 3.43Å; L502-G506 PolarHBondContact O-N 2.67Å |
| 503 | S | 45.2 | Very low | 38.7 | Very low | 48 Ų | 48 | 125.7 Ų | 125.7 | 34% | 0.336 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -74 | -28.2 | 176.1 | 70.9 | 0 | 0 | 0 | 0 | 113.3 | S500 R507 | S500-S503 WeakPolarHBondContact O-CB 3.39Å; S500-S503 PolarHBondContact O-N 2.99Å; S500-S503 PolarHBondContact O-OG 3.07Å; S503-R507 PolarHBondContact O-N 3Å |
| 504 | S | 41.9 | Very low | 39.2 | Very low | 52 Ų | 52 | 123.1 Ų | 123.1 | 36% | 0.364 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -72.6 | -35.2 | 173.4 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | F501 G506 R507 N508 | F501-S504 PolarHBondContact O-OG 3.48Å; S504-G506 VanDerWaalsContact C-N 3.33Å; S504-G506 PolarHBondContact O-N 3.39Å; S504-R507 PolarHBondContact O-N 3.16Å; S504-N508 PolarHBondContact O-N 2.67Å |
| 505 | L | 40.3 | Very low | 39.7 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 48% | 0.482 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -63.7 | -39.7 | 174.3 | -137.8 | 87.6 | 0 | 0 | 0 | 111.7 | R507 N508 L509 | L505-R507 PolarHBondContact O-N 3.07Å; L505-N508 PolarHBondContact O-N 2.89Å; L505-L509 PolarHBondContact O-N 3.36Å; L505-L509 VanDerWaalsContact O-N 3.14Å |
| 506 | G | 46.1 | Very low | 40.2 | Very low | 42 Ų | 42 | 130.5 Ų | 130.5 | 43% | 0.433 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -63.4 | -35.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L502 S504 A510 | L502-G506 PolarHBondContact O-N 2.67Å; S504-G506 VanDerWaalsContact C-N 3.33Å; S504-G506 PolarHBondContact O-N 3.39Å; G506-A510 WeakPolarHBondContact O-CB 3.49Å; G506-A510 PolarHBondContact O-N 3.45Å |
| 507 | R | 48.2 | Very low | 40.5 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.9 | -37.9 | 175.2 | -69.9 | -173.4 | -157 | -176.8 | 5.2 | 112.4 | S503 S504 L505 L509 A510 H511 | S503-R507 PolarHBondContact O-N 3Å; S504-R507 PolarHBondContact O-N 3.16Å; L505-R507 PolarHBondContact O-N 3.07Å; R507-L509 VanDerWaalsContact C-N 3.29Å; R507-L509 PolarHBondContact O-N 3.16Å; R507-A510 PolarHBondContact O-N 3.26Å; R507-H511 PolarHBondContact O-CD2 3Å; R507-H511 VanDerWaalsContact O-CD2 3.27Å; R507-H511 PolarHBondContact O-N 3.44Å; R507-H511 VanDerWaalsContact O-N 3.08Å |
| 508 | N | 45.7 | Very low | 40.8 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 59% | 0.588 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.1 | -34.9 | 176.8 | -74.6 | -12.3 | 0 | 0 | 0 | 111.9 | S504 L505 W512 | S504-N508 PolarHBondContact O-N 2.67Å; L505-N508 PolarHBondContact O-N 2.89Å; N508-W512 VanDerWaalsContact O-CD1 3.28Å |
| 509 | L | 43.2 | Very low | 40.8 | Very low | 115 Ų | 115 | 129 Ų | 129 | 60% | 0.602 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.5 | -33.5 | 173.8 | -88.1 | 149.1 | 0 | 0 | 0 | 113.4 | L505 R507 W512 | L505-L509 PolarHBondContact O-N 3.36Å; L505-L509 VanDerWaalsContact O-N 3.14Å; R507-L509 VanDerWaalsContact C-N 3.29Å; R507-L509 PolarHBondContact O-N 3.16Å; L509-W512 PolarHBondContact O-N 2.75Å |
| 510 | A | 47.8 | Very low | 41.1 | Very low | 63 Ų | 63 | 135.3 Ų | 135.3 | 52% | 0.521 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -67.5 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G506 R507 W512 R513 | G506-A510 WeakPolarHBondContact O-CB 3.49Å; G506-A510 PolarHBondContact O-N 3.45Å; R507-A510 PolarHBondContact O-N 3.26Å; A510-W512 PolarHBondContact O-N 2.71Å; A510-R513 PolarHBondContact O-N 2.91Å |
| 511 | H | 45.4 | Very low | 41.3 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 65% | 0.653 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -68.6 | -18.8 | 174.6 | -82 | -65.8 | 0 | 0 | 0 | 113.9 | R507 R513 | R507-H511 PolarHBondContact O-CD2 3Å; R507-H511 VanDerWaalsContact O-CD2 3.27Å; R507-H511 PolarHBondContact O-N 3.44Å; R507-H511 VanDerWaalsContact O-N 3.08Å; H511-R513 VanDerWaalsContact C-N 3.34Å |
| 512 | W | 39 | Very low | 41 | Very low | 229 Ų | 229 | 136.9 Ų | 136.9 | 87% | 0.867 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -13.9 | 174.6 | -90 | 65.8 | 0 | 0 | 0 | 114 | N508 L509 A510 | N508-W512 VanDerWaalsContact O-CD1 3.28Å; L509-W512 PolarHBondContact O-N 2.75Å; A510-W512 PolarHBondContact O-N 2.71Å |
| 513 | R | 36.1 | Very low | 40.9 | Very low | 224 Ų | 224 | 136.8 Ų | 136.8 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 11.1 | -176.1 | -72.3 | -164.5 | -179.8 | -152.3 | 1.8 | 115.2 | A510 H511 P515 | A510-R513 PolarHBondContact O-N 2.91Å; H511-R513 VanDerWaalsContact C-N 3.34Å; R513-P515 WeakPolarHBondContact O-CD 3.41Å |
| 514 | Q | 36.2 | Very low | 40.7 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -91 | 116.4 | 166.5 | -73.3 | -164.3 | -24.3 | 0 | 0 | 110.1 | K516 | Q514-K516 PolarHBondContact O-N 3.27Š|
| 515 | P | 36.2 | Very low | 40.6 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -66.6 | 126.8 | 174.9 | 26.4 | -29.9 | 0 | 0 | 0 | 109.2 | R513 K517 | R513-P515 WeakPolarHBondContact O-CD 3.41Å; P515-K517 PolarHBondContact O-N 3.32Å | ||
| 516 | K | 37.3 | Very low | 40.6 | Very low | 214 Ų | 214 | 151.4 Ų | 151.4 | 93% | 0.93 | 74% | 0.739 | S | S | * | * | trans | -60.1 | 107.5 | 167.9 | -70 | -177.2 | 177.3 | -176.6 | 0 | 108.5 | Q514 | Q514-K516 PolarHBondContact O-N 3.27Š| ||
| 517 | K | 35.9 | Very low | 40.2 | Very low | 157 Ų | 157 | 159.2 Ų | 159.2 | 68% | 0.683 | 76% | 0.761 | S | S | * | * | trans | -142 | 125.5 | 171.4 | -103.4 | -173.5 | 164.9 | -164.5 | 0 | 104.8 | P515 | P515-K517 PolarHBondContact O-N 3.32Š| ||
| 518 | F | 39 | Very low | 39.6 | Very low | 163 Ų | 163 | 158.2 Ų | 158.2 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | cis | -148.4 | 139.6 | 5.7 | -85.9 | -90.6 | 0 | 0 | 0 | 107.2 | ||||
| 519 | D | 32.1 | Very low | 39.1 | Very low | 167 Ų | 167 | 162.3 Ų | 162.3 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -93.8 | 99 | 155.3 | -74.9 | -40.4 | 0 | 0 | 0 | 107 | ||||
| 520 | V | 41 | Very low | 38.7 | Very low | 212 Ų | 212 | 166.5 Ų | 166.5 | 100% | 1.285 | 80% | 0.801 | S | S | * | * | trans | -156 | 0 | 141.9 | -177.7 | 0 | 0 | 0 | 0 | 107.2 |
Retrieved 520 of 520 residues in 121.1 ms
(Link to these results)