| 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 | 32.8 | Very low | 64.6 | Low | 219 Ų | 219 | 96.6 Ų | 96.6 | 100% | 1.079 | 50% | 0.5 | S | S | * | . | 0 | -179 | 0 | -61.1 | -174.9 | -176.2 | 0 | 0 | 110 | |||||
| 2 | K | 44.6 | Very low | 65.6 | Low | 194 Ų | 194 | 95.3 Ų | 95.3 | 84% | 0.843 | 49% | 0.494 | S | S | * | . | trans | -70.9 | 143.8 | 157.4 | -80.5 | -176.8 | 177.5 | 175.8 | 0 | 108.5 | ||||
| 3 | P | 53.3 | Low | 67 | Low | 44 Ų | 44 | 91.6 Ų | 91.6 | 29% | 0.286 | 48% | 0.479 | S | S | . | . | trans | -62.7 | 151 | 171.9 | -16.8 | 28.6 | 0 | 0 | 0 | 111.6 | K482 Y484 | P3-K482 WeakPolarHBondContact CG-O 3.19Å; P3-Y484 HydrophobicContact CG-CD2 4.24Å; P3-Y484 HydrophobicContact CG-CE2 4.43Å | ||
| 4 | I | 62.9 | Low | 68.2 | Low | 63 Ų | 63 | 85.1 Ų | 85.1 | 32% | 0.323 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.3 | 178.1 | -71.5 | 171.5 | 0 | 0 | 0 | 108.1 | I24 L25 L494 | I4-I24 HydrophobicContact CG2-CG2 3.47Å; I4-I24 VanDerWaalsContact CG2-CG2 3.47Å; I4-L25 HydrophobicContact CB-CD2 4.16Å; I4-L25 HydrophobicContact CD1-CD2 3.79Å; I4-L25 HydrophobicContact CG2-CD2 4.05Å; I4-L494 HydrophobicContact CG2-CB 4.5Å; I4-L494 HydrophobicContact CG2-CD1 4.22Å; I4-L494 PolarHBondContact N-O 3.31Å; I4-L494 WeakPolarHBondContact O-CA 3.37Å; I4-L494 WeakPolarHBondContact O-CB 3.5Å; I4-L494 PolarHBondContact O-N 3.23Å; I4-L494 VanDerWaalsContact O-O 3.1Å |
| 5 | S | 63.9 | Low | 69.4 | Low | 97 Ų | 97 | 82.7 Ų | 82.7 | 68% | 0.678 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131.8 | 177.6 | 55 | 0 | 0 | 0 | 0 | 111.6 | ||
| 6 | F | 68.9 | Low | 70.5 | Confident | 30 Ų | 30 | 81.9 Ų | 81.9 | 13% | 0.132 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 122 | 178.9 | -177 | -92 | 0 | 0 | 0 | 111.7 | I8 Q17 A20 I21 I24 I492 L494 | F6-I8 HydrophobicContact CD1-CG1 3.67Å; F6-I8 HydrophobicContact CE1-CG1 3.93Å; F6-I8 PolarHBondContact O-N 2.94Å; F6-I8 VanDerWaalsContact O-N 3.09Å; F6-Q17 HydrophobicContact CE1-CB 4.48Å; F6-A20 HydrophobicContact CE2-CB 3.77Å; F6-A20 HydrophobicContact CZ-CB 3.92Å; F6-I21 HydrophobicContact CD1-CD1 3.99Å; F6-I21 HydrophobicContact CD1-CG1 3.57Å; F6-I21 HydrophobicContact CD2-CG1 4.26Å; F6-I21 HydrophobicContact CE1-CD1 3.85Å; F6-I21 HydrophobicContact CE1-CG1 3.47Å; F6-I21 VanDerWaalsContact CE1-CG1 3.47Å; F6-I21 HydrophobicContact CE2-CG1 4.16Å; F6-I21 HydrophobicContact CG-CG1 3.98Å; F6-I21 HydrophobicContact CZ-CG1 3.78Å; F6-I24 HydrophobicContact CD2-CD1 3.61Å; F6-I24 HydrophobicContact CE2-CD1 3.92Å; F6-I492 CarbonylContact C-O 3.56Å; F6-I492 PolarHBondContact N-O 3.43Å; F6-I492 CarbonylContact O-C 3.51Å; F6-I492 PolarHBondContact O-N 3.02Å; F6-L494 HydrophobicContact CB-CD1 3.44Å; F6-L494 VanDerWaalsContact CB-CD1 3.44Å; F6-L494 HydrophobicContact CB-CG 3.8Å; F6-L494 HydrophobicContact CG-CD1 4.05Å |
| 7 | T | 75.7 | Confident | 71.6 | Confident | 96 Ų | 96 | 77.8 Ų | 77.8 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | trans | -82.1 | 96.7 | -179.4 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | I | 75.5 | Confident | 72.4 | Confident | 10 Ų | 10 | 74 Ų | 74 | 5% | 0.051 | 40% | 0.398 | C | S | . | . | trans | -68.2 | 130.1 | 169 | -58.6 | -168.6 | 0 | 0 | 0 | 109.3 | F6 L14 I21 L58 I492 | F6-I8 HydrophobicContact CD1-CG1 3.67Å; F6-I8 HydrophobicContact CE1-CG1 3.93Å; F6-I8 PolarHBondContact O-N 2.94Å; F6-I8 VanDerWaalsContact O-N 3.09Å; I8-L14 HydrophobicContact CD1-CD2 4.07Å; I8-L14 HydrophobicContact CG2-CD2 3.64Å; I8-I21 HydrophobicContact CD1-CD1 4.26Å; I8-L58 HydrophobicContact CG2-CD2 4.26Å; I8-I492 HydrophobicContact CB-CD1 4.12Å; I8-I492 HydrophobicContact CD1-CB 4.46Å; I8-I492 HydrophobicContact CD1-CD1 4.09Å; I8-I492 HydrophobicContact CD1-CG2 4.44Å; I8-I492 HydrophobicContact CG1-CB 4.3Å; I8-I492 HydrophobicContact CG1-CD1 4.27Å | ||
| 9 | L | 78.7 | Confident | 73.2 | Confident | 100 Ų | 100 | 73.3 Ų | 73.3 | 52% | 0.524 | 40% | 0.398 | S | S | . | . | trans | -82.9 | 118 | 173.8 | -65.9 | 170.7 | 0 | 0 | 0 | 109.4 | E11 L12 Q17 | L9-E11 VanDerWaalsContact C-N 3.28Å; L9-E11 PolarHBondContact O-N 2.82Å; L9-L12 HydrophobicContact CB-CB 4.45Å; L9-L12 HydrophobicContact CB-CD1 4.23Å; L9-L12 HydrophobicContact CB-CG 4.37Å; L9-L12 HydrophobicContact CD1-CD1 3.73Å; L9-L12 PolarHBondContact O-N 3.29Å; L9-Q17 PolarHBondContact O-NE2 3.36Å | ||
| 10 | M | 78.3 | Confident | 73.8 | Confident | 49 Ų | 49 | 71.9 Ų | 71.9 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31 | -170.5 | -68.5 | -61.4 | -61.8 | 0 | 0 | 114.8 | T57 L58 Q59 W62 | M10-T57 WeakPolarHBondContact O-CB 3.42Å; M10-L58 HydrophobicContact CE-CB 4.29Å; M10-L58 HydrophobicContact CE-CD2 4.4Å; M10-L58 HydrophobicContact CE-CG 4.32Å; M10-L58 PolarHBondContact O-N 3.19Å; M10-L58 HydrophobicContact SD-CB 4.32Å; M10-L58 HydrophobicContact SD-CD2 3.9Å; M10-L58 HydrophobicContact SD-CG 4.38Å; M10-Q59 HydrophobicContact CB-CB 4.43Å; M10-Q59 HydrophobicContact CE-CB 4.27Å; M10-Q59 VanDerWaalsContact O-CB 3.3Å; M10-Q59 WeakPolarHBondContact O-CB 3.46Å; M10-Q59 PolarHBondContact O-N 3.26Å; M10-Q59 VanDerWaalsContact O-N 3.11Å; M10-W62 HydrophobicContact CE-CD2 4.4Å; M10-W62 HydrophobicContact CE-CE3 3.74Å; M10-W62 HydrophobicContact CE-CZ3 4.22Å |
| 11 | E | 76.5 | Confident | 74.2 | Confident | 161 Ų | 161 | 68.4 Ų | 68.4 | 75% | 0.752 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 4 | -173.7 | -57.9 | -164.7 | 166.8 | 0 | 0 | 114.4 | L9 T57 | L9-E11 VanDerWaalsContact C-N 3.28Å; L9-E11 PolarHBondContact O-N 2.82Å; E11-T57 VanDerWaalsContact O-CG2 3.3Å; E11-T57 WeakPolarHBondContact O-CG2 3.47Å |
| 12 | L | 76.6 | Confident | 76.8 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -107.3 | 142.2 | 175.4 | -66.4 | -178 | 0 | 0 | 0 | 111.2 | L9 L14 Q17 | L9-L12 HydrophobicContact CB-CB 4.45Å; L9-L12 HydrophobicContact CB-CD1 4.23Å; L9-L12 HydrophobicContact CB-CG 4.37Å; L9-L12 HydrophobicContact CD1-CD1 3.73Å; L9-L12 PolarHBondContact O-N 3.29Å; L12-L14 PolarHBondContact O-N 2.9Å; L12-Q17 PolarHBondContact O-NE2 2.85Å |
| 13 | P | 84 | Confident | 78.7 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 31% | 0.305 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -55.3 | 136.9 | 174.8 | -26.3 | 35.2 | 0 | 0 | 0 | 111.8 | S15 S16 S56 | P13-S15 PolarHBondContact O-N 3.45Å; P13-S16 WeakPolarHBondContact O-CB 3.33Å; P13-S16 PolarHBondContact O-N 2.82Å; P13-S16 PolarHBondContact O-OG 3.14Å; P13-S56 WeakPolarHBondContact CA-O 3.46Å |
| 14 | L | 83.1 | Confident | 80 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -30.7 | -176.9 | -69.9 | 170.7 | 0 | 0 | 0 | 112.3 | I8 L12 S16 Q17 L18 L52 L54 S56 L58 | I8-L14 HydrophobicContact CD1-CD2 4.07Å; I8-L14 HydrophobicContact CG2-CD2 3.64Å; L12-L14 PolarHBondContact O-N 2.9Å; L14-S16 PolarHBondContact O-N 2.71Å; L14-Q17 PolarHBondContact O-N 3.09Å; L14-L18 PolarHBondContact O-N 2.82Å; L14-L52 HydrophobicContact CD1-CB 3.76Å; L14-L52 HydrophobicContact CD1-CD1 3.98Å; L14-L52 HydrophobicContact CD1-CG 4.47Å; L14-L54 HydrophobicContact CB-CD2 4.05Å; L14-L54 PolarHBondContact N-O 2.74Å; L14-S56 PolarHBondContact N-O 3.34Å; L14-L58 HydrophobicContact CD1-CD1 4.2Å; L14-L58 HydrophobicContact CD2-CB 4.35Å |
| 15 | S | 85.9 | Confident | 80.8 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.5 | -32.8 | 173.5 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | P13 Q17 P19 L54 | P13-S15 PolarHBondContact O-N 3.45Å; S15-Q17 VanDerWaalsContact C-N 3.28Å; S15-Q17 PolarHBondContact O-N 3.19Å; S15-P19 WeakPolarHBondContact O-CD 3.46Å; S15-L54 VanDerWaalsContact CB-O 3.26Å; S15-L54 WeakPolarHBondContact CB-O 3.49Å; S15-L54 PolarHBondContact N-O 3.27Å; S15-L54 PolarHBondContact OG-O 3.05Å; S15-L54 VanDerWaalsContact OG-O 3.13Å |
| 16 | S | 87.6 | Confident | 81.6 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 49% | 0.49 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.7 | -19.3 | 175.2 | 71.7 | 0 | 0 | 0 | 0 | 113.5 | P13 L14 | P13-S16 WeakPolarHBondContact O-CB 3.33Å; P13-S16 PolarHBondContact O-N 2.82Å; P13-S16 PolarHBondContact O-OG 3.14Å; L14-S16 PolarHBondContact O-N 2.71Å |
| 17 | Q | 89 | Confident | 82 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -104.1 | -24.9 | -174.8 | -53.9 | -174.5 | 64.2 | 0 | 0 | 112.2 | F6 L9 L12 L14 S15 A20 I21 | F6-Q17 HydrophobicContact CE1-CB 4.48Å; L9-Q17 PolarHBondContact O-NE2 3.36Å; L12-Q17 PolarHBondContact O-NE2 2.85Å; L14-Q17 PolarHBondContact O-N 3.09Å; S15-Q17 VanDerWaalsContact C-N 3.28Å; S15-Q17 PolarHBondContact O-N 3.19Å; Q17-A20 PolarHBondContact O-N 2.94Å; Q17-A20 VanDerWaalsContact O-N 3.08Å; Q17-I21 PolarHBondContact O-N 3.29Å |
| 18 | L | 86.5 | Confident | 81.8 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -51.8 | -38.2 | 178 | -170.7 | 66.9 | 0 | 0 | 0 | 114.9 | L14 A20 I21 H22 L31 L36 L54 L77 | L14-L18 PolarHBondContact O-N 2.82Å; L18-A20 VanDerWaalsContact C-N 3.27Å; L18-A20 PolarHBondContact O-N 3.03Å; L18-I21 PolarHBondContact O-N 2.77Å; L18-H22 VanDerWaalsContact O-CB 3.28Å; L18-H22 WeakPolarHBondContact O-CB 3.37Å; L18-H22 PolarHBondContact O-N 3.11Å; L18-L31 HydrophobicContact CD2-CD1 4.25Å; L18-L31 HydrophobicContact CG-CD1 3.98Å; L18-L36 HydrophobicContact CD1-CD1 4.23Å; L18-L36 HydrophobicContact CD1-CD2 4.02Å; L18-L36 HydrophobicContact CD1-CG 3.98Å; L18-L54 HydrophobicContact CD2-CD1 3.9Å; L18-L54 HydrophobicContact CD2-CD2 4.37Å; L18-L77 HydrophobicContact CD1-CD1 3.82Å |
| 19 | P | 87.8 | Confident | 81.8 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.1 | -33.6 | 177.5 | -22.3 | 33.4 | 0 | 0 | 0 | 113.3 | S15 K23 L31 | S15-P19 WeakPolarHBondContact O-CD 3.46Å; P19-K23 VanDerWaalsContact O-CB 3.25Å; P19-K23 WeakPolarHBondContact O-CB 3.35Å; P19-K23 PolarHBondContact O-N 3.48Å; P19-L31 HydrophobicContact CB-CD2 4.01Å; P19-L31 HydrophobicContact CG-CD2 4.15Å |
| 20 | A | 83.8 | Confident | 82 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 37% | 0.372 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -75.3 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F6 Q17 L18 K23 I24 | F6-A20 HydrophobicContact CE2-CB 3.77Å; F6-A20 HydrophobicContact CZ-CB 3.92Å; Q17-A20 PolarHBondContact O-N 2.94Å; Q17-A20 VanDerWaalsContact O-N 3.08Å; L18-A20 VanDerWaalsContact C-N 3.27Å; L18-A20 PolarHBondContact O-N 3.03Å; A20-K23 PolarHBondContact O-N 2.99Å; A20-I24 WeakPolarHBondContact O-CD1 3.44Å; A20-I24 VanDerWaalsContact O-CG1 3.24Å; A20-I24 WeakPolarHBondContact O-CG1 3.37Å; A20-I24 PolarHBondContact O-N 3.5Å; A20-I24 VanDerWaalsContact O-N 3.09Å |
| 21 | I | 83.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.3 | -52.6 | 173 | -68.2 | 171.9 | 0 | 0 | 0 | 110.3 | F6 I8 Q17 L18 I24 L25 L36 L77 L494 | F6-I21 HydrophobicContact CD1-CD1 3.99Å; F6-I21 HydrophobicContact CD1-CG1 3.57Å; F6-I21 HydrophobicContact CD2-CG1 4.26Å; F6-I21 HydrophobicContact CE1-CD1 3.85Å; F6-I21 HydrophobicContact CE1-CG1 3.47Å; F6-I21 VanDerWaalsContact CE1-CG1 3.47Å; F6-I21 HydrophobicContact CE2-CG1 4.16Å; F6-I21 HydrophobicContact CG-CG1 3.98Å; F6-I21 HydrophobicContact CZ-CG1 3.78Å; I8-I21 HydrophobicContact CD1-CD1 4.26Å; Q17-I21 PolarHBondContact O-N 3.29Å; L18-I21 PolarHBondContact O-N 2.77Å; I21-I24 PolarHBondContact O-N 2.91Å; I21-L25 HydrophobicContact CG2-CD1 3.88Å; I21-L25 WeakPolarHBondContact O-CG 3.45Å; I21-L25 PolarHBondContact O-N 2.81Å; I21-L36 HydrophobicContact CD1-CD1 4Å; I21-L36 HydrophobicContact CD1-CD2 4.49Å; I21-L36 HydrophobicContact CG2-CD2 4.19Å; I21-L77 HydrophobicContact CG2-CD1 4.27Å; I21-L494 HydrophobicContact CB-CD1 4.35Å; I21-L494 HydrophobicContact CD1-CD2 4.45Å; I21-L494 HydrophobicContact CG1-CD1 4.27Å; I21-L494 HydrophobicContact CG1-CD2 4.44Å; I21-L494 HydrophobicContact CG2-CD1 3.81Å; I21-L494 HydrophobicContact CG2-CD2 3.82Å; I21-L494 HydrophobicContact CG2-CG 4.49Å |
| 22 | H | 86.1 | Confident | 82.7 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 15% | 0.153 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 179.4 | -175.4 | -78.3 | 0 | 0 | 0 | 111.8 | L18 I24 L25 H26 P27 H29 L31 S34 | L18-H22 VanDerWaalsContact O-CB 3.28Å; L18-H22 WeakPolarHBondContact O-CB 3.37Å; L18-H22 PolarHBondContact O-N 3.11Å; H22-I24 VanDerWaalsContact C-N 3.25Å; H22-I24 PolarHBondContact O-N 2.87Å; H22-L25 PolarHBondContact O-N 2.9Å; H22-H26 PolarHBondContact O-N 3.49Å; H22-P27 VanDerWaalsContact CD2-CG 3.42Å; H22-P27 WeakPolarHBondContact CD2-CG 3.5Å; H22-P27 VanDerWaalsContact NE2-CG 3.34Å; H22-P27 WeakPolarHBondContact NE2-CG 3.44Å; H22-P27 WeakPolarHBondContact O-CD 3.32Å; H22-H29 PolarHBondContact NE2-O 3.31Å; H22-L31 HydrophobicContact CB-CD1 3.68Å; H22-L31 PolarHBondContact NE2-N 3Å; H22-S34 PolarHBondContact CD2-OG 3.33Å |
| 23 | K | 84.3 | Confident | 83.2 | Confident | 158 Ų | 158 | 60.7 Ų | 60.7 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.5 | -29.3 | 177.7 | -178.5 | 172.3 | 179.2 | 177.6 | 0 | 113.7 | P19 A20 H26 | P19-K23 VanDerWaalsContact O-CB 3.25Å; P19-K23 WeakPolarHBondContact O-CB 3.35Å; P19-K23 PolarHBondContact O-N 3.48Å; A20-K23 PolarHBondContact O-N 2.99Å; K23-H26 PolarHBondContact O-CE1 3.27Å; K23-H26 PolarHBondContact O-ND1 3.32Å; K23-H26 PolarHBondContact O-NE2 3.39Å |
| 24 | I | 81.6 | Confident | 83.4 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 40% | 0.395 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -80.6 | -41.8 | 177.4 | -64.7 | 162.1 | 0 | 0 | 0 | 110.6 | I4 F6 A20 I21 H22 H26 | I4-I24 HydrophobicContact CG2-CG2 3.47Å; I4-I24 VanDerWaalsContact CG2-CG2 3.47Å; F6-I24 HydrophobicContact CD2-CD1 3.61Å; F6-I24 HydrophobicContact CE2-CD1 3.92Å; A20-I24 WeakPolarHBondContact O-CD1 3.44Å; A20-I24 VanDerWaalsContact O-CG1 3.24Å; A20-I24 WeakPolarHBondContact O-CG1 3.37Å; A20-I24 PolarHBondContact O-N 3.5Å; A20-I24 VanDerWaalsContact O-N 3.09Å; I21-I24 PolarHBondContact O-N 2.91Å; H22-I24 VanDerWaalsContact C-N 3.25Å; H22-I24 PolarHBondContact O-N 2.87Å; I24-H26 VanDerWaalsContact C-N 3.34Å; I24-H26 PolarHBondContact O-N 3.13Å; I24-H26 PolarHBondContact O-ND1 3.36Å |
| 25 | L | 79.5 | Confident | 83.6 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.4 | -19.3 | -177.8 | -64.3 | 177.2 | 0 | 0 | 0 | 114 | I4 I21 H22 P27 L77 L494 | I4-L25 HydrophobicContact CB-CD2 4.16Å; I4-L25 HydrophobicContact CD1-CD2 3.79Å; I4-L25 HydrophobicContact CG2-CD2 4.05Å; I21-L25 HydrophobicContact CG2-CD1 3.88Å; I21-L25 WeakPolarHBondContact O-CG 3.45Å; I21-L25 PolarHBondContact O-N 2.81Å; H22-L25 PolarHBondContact O-N 2.9Å; L25-P27 VanDerWaalsContact C-CD 3.49Å; L25-L77 HydrophobicContact CD1-CB 3.89Å; L25-L77 HydrophobicContact CD1-CD2 4.11Å; L25-L77 HydrophobicContact CD1-CG 4.48Å; L25-L494 HydrophobicContact CD1-CB 4.41Å; L25-L494 HydrophobicContact CD1-CD1 4.15Å; L25-L494 HydrophobicContact CD2-CB 4.05Å; L25-L494 HydrophobicContact CD2-CD1 4.16Å; L25-L494 HydrophobicContact CG-CD1 4.13Å |
| 26 | H | 79.8 | Confident | 83.7 | Confident | 157 Ų | 157 | 56.9 Ų | 56.9 | 73% | 0.727 | 29% | 0.294 | S | S | * | . | trans | 47.7 | 46.9 | -176.7 | -61.6 | 80 | 0 | 0 | 0 | 114.3 | H22 K23 I24 | H22-H26 PolarHBondContact O-N 3.49Å; K23-H26 PolarHBondContact O-CE1 3.27Å; K23-H26 PolarHBondContact O-ND1 3.32Å; K23-H26 PolarHBondContact O-NE2 3.39Å; I24-H26 VanDerWaalsContact C-N 3.34Å; I24-H26 PolarHBondContact O-N 3.13Å; I24-H26 PolarHBondContact O-ND1 3.36Å | ||
| 27 | P | 78 | Confident | 83.5 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | trans | -71.7 | 153.2 | -176.3 | 36.1 | -39.3 | 0 | 0 | 0 | 111.1 | H22 L25 H29 L77 Y496 | H22-P27 VanDerWaalsContact CD2-CG 3.42Å; H22-P27 WeakPolarHBondContact CD2-CG 3.5Å; H22-P27 VanDerWaalsContact NE2-CG 3.34Å; H22-P27 WeakPolarHBondContact NE2-CG 3.44Å; H22-P27 WeakPolarHBondContact O-CD 3.32Å; L25-P27 VanDerWaalsContact C-CD 3.49Å; P27-H29 PolarHBondContact O-N 2.86Å; P27-L77 HydrophobicContact CB-CD2 3.81Å; P27-L77 HydrophobicContact CG-CD2 3.58Å; P27-Y496 HydrophobicContact CB-CE2 3.98Å | ||
| 28 | P | 72.4 | Confident | 83.3 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -75.4 | 1.1 | 176.5 | 31.3 | -35.1 | 0 | 0 | 0 | 113.7 | Y496 | P28-Y496 WeakPolarHBondContact CD-OH 3.26Š|
| 29 | H | 74.3 | Confident | 82.9 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 26% | 0.259 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -95.6 | 146.9 | -179.6 | -50.1 | -18.6 | 0 | 0 | 0 | 110.3 | H22 P27 T79 | H22-H29 PolarHBondContact NE2-O 3.31Å; P27-H29 PolarHBondContact O-N 2.86Å; H29-T79 PolarHBondContact CD2-OG1 2.9Å; H29-T79 PolarHBondContact NE2-OG1 3.03Å |
| 30 | R | 83.2 | Confident | 82.4 | Confident | 134 Ų | 134 | 53.4 Ų | 53.4 | 51% | 0.506 | 26% | 0.263 | S | S | . | . | trans | -64.9 | 147.5 | 175.6 | -56.8 | -177.6 | 175.8 | -165.6 | 2.6 | 110.8 | E32 D33 S34 E591 | R30-E32 HydrophobicContact CB-CG 3.88Å; R30-E32 VanDerWaalsContact CD-OE1 3.32Å; R30-E32 WeakPolarHBondContact CD-OE1 3.03Å; R30-E32 IonicContact NH1-OE1 3.75Å; R30-E32 PolarHBondContact NH1-OE1 3.48Å; R30-E32 PolarHBondContact O-N 3.05Å; R30-D33 PolarHBondContact O-N 2.97Å; R30-S34 PolarHBondContact O-N 3.35Å; R30-S34 PolarHBondContact O-OG 3.13Å; R30-E591 IonicContact CZ-OE1 3.26Å; R30-E591 IonicContact NE-OE1 3.55Å; R30-E591 IonicContact NH2-OE1 2.68Å; R30-E591 PolarHBondContact NH2-OE1 3.18Å | ||
| 31 | L | 84.4 | Confident | 81.8 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -58.1 | -37.6 | 177.8 | 174.2 | 62.6 | 0 | 0 | 0 | 111.7 | L18 P19 H22 D33 S34 | L18-L31 HydrophobicContact CD2-CD1 4.25Å; L18-L31 HydrophobicContact CG-CD1 3.98Å; P19-L31 HydrophobicContact CB-CD2 4.01Å; P19-L31 HydrophobicContact CG-CD2 4.15Å; H22-L31 HydrophobicContact CB-CD1 3.68Å; H22-L31 PolarHBondContact NE2-N 3Å; L31-D33 VanDerWaalsContact C-N 3.26Å; L31-D33 PolarHBondContact O-N 3.03Å; L31-S34 PolarHBondContact O-N 2.93Å |
| 32 | E | 85.7 | Confident | 80.9 | Confident | 122 Ų | 122 | 54.6 Ų | 54.6 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -65.1 | -25.7 | 177.5 | 62.1 | -168.6 | 162.4 | 0 | 0 | 113.7 | R30 K80 | R30-E32 HydrophobicContact CB-CG 3.88Å; R30-E32 VanDerWaalsContact CD-OE1 3.32Å; R30-E32 WeakPolarHBondContact CD-OE1 3.03Å; R30-E32 IonicContact NH1-OE1 3.75Å; R30-E32 PolarHBondContact NH1-OE1 3.48Å; R30-E32 PolarHBondContact O-N 3.05Å; E32-K80 WeakPolarHBondContact O-CD 3.39Å; E32-K80 VanDerWaalsContact O-CE 3.26Å; E32-K80 WeakPolarHBondContact O-CE 3.42Å; E32-K80 PolarHBondContact O-NZ 3Å |
| 33 | D | 86.7 | Confident | 79.4 | Confident | 47 Ų | 47 | 63.3 Ų | 63.3 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -97 | -1.6 | 179.3 | -62 | -47.8 | 0 | 0 | 0 | 113.4 | R30 L31 T79 K80 V83 | R30-D33 PolarHBondContact O-N 2.97Å; L31-D33 VanDerWaalsContact C-N 3.26Å; L31-D33 PolarHBondContact O-N 3.03Å; D33-T79 CarbonylContact O-C 3.55Å; D33-K80 WeakPolarHBondContact O-CB 3.48Å; D33-K80 WeakPolarHBondContact O-CG 3.48Å; D33-K80 PolarHBondContact O-N 3.3Å; D33-V83 HydrophobicContact CB-CG1 4.49Å; D33-V83 HydrophobicContact CB-CG2 4.2Å; D33-V83 VanDerWaalsContact OD1-CG2 3.3Å; D33-V83 WeakPolarHBondContact OD1-CG2 3.35Å |
| 34 | S | 87.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 142.1 | -174.3 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | H22 R30 L31 K80 | H22-S34 PolarHBondContact CD2-OG 3.33Å; R30-S34 PolarHBondContact O-N 3.35Å; R30-S34 PolarHBondContact O-OG 3.13Å; L31-S34 PolarHBondContact O-N 2.93Å; S34-K80 WeakPolarHBondContact O-CE 3.42Å |
| 35 | T | 87.6 | Confident | 77.1 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 172.5 | 172.6 | -161.8 | 0 | 0 | 0 | 0 | 111.4 | Y51 L77 R78 K80 | T35-Y51 HydrophobicContact CG2-CD1 3.74Å; T35-Y51 HydrophobicContact CG2-CE1 3.82Å; T35-L77 WeakPolarHBondContact O-CA 3.46Å; T35-R78 HydrophobicContact CG2-CB 4.07Å; T35-R78 PolarHBondContact N-O 2.72Å; T35-R78 PolarHBondContact O-N 3.17Å; T35-K80 HydrophobicContact CG2-CG 4.34Å |
| 36 | L | 87.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.1 | 179.6 | -60.5 | 171.9 | 0 | 0 | 0 | 110.3 | L18 I21 L52 L54 V75 V76 L77 | L18-L36 HydrophobicContact CD1-CD1 4.23Å; L18-L36 HydrophobicContact CD1-CD2 4.02Å; L18-L36 HydrophobicContact CD1-CG 3.98Å; I21-L36 HydrophobicContact CD1-CD1 4Å; I21-L36 HydrophobicContact CD1-CD2 4.49Å; I21-L36 HydrophobicContact CG2-CD2 4.19Å; L36-L52 HydrophobicContact CB-CB 4.17Å; L36-L52 HydrophobicContact CB-CD1 3.88Å; L36-L52 HydrophobicContact CB-CG 4.16Å; L36-L52 HydrophobicContact CD1-CD1 4.38Å; L36-L52 PolarHBondContact O-N 3.14Å; L36-L54 HydrophobicContact CD1-CD2 4.15Å; L36-L54 HydrophobicContact CG-CD2 4.27Å; L36-V75 HydrophobicContact CB-CG1 3.78Å; L36-V75 HydrophobicContact CD1-CG1 4.38Å; L36-V75 HydrophobicContact CD2-CG1 3.83Å; L36-V75 HydrophobicContact CG-CG1 4.2Å; L36-V76 WeakPolarHBondContact CA-O 3.34Å; L36-L77 HydrophobicContact CD2-CD1 3.66Å |
| 37 | Q | 84.8 | Confident | 76.2 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 2% | 0.023 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.8 | 175.2 | -167.4 | 175.8 | 20 | 0 | 0 | 109.8 | G49 Y51 V76 R78 | Q37-G49 VanDerWaalsContact CG-O 3.27Å; Q37-G49 WeakPolarHBondContact CG-O 3.41Å; Q37-G49 PolarHBondContact NE2-O 3.09Å; Q37-Y51 HydrophobicContact CB-CD1 3.93Å; Q37-Y51 HydrophobicContact CB-CE1 3.96Å; Q37-Y51 HydrophobicContact CB-CG 4.47Å; Q37-Y51 VanDerWaalsContact CD-CZ 3.49Å; Q37-Y51 HydrophobicContact CG-CD1 4.1Å; Q37-Y51 HydrophobicContact CG-CD2 4.29Å; Q37-Y51 HydrophobicContact CG-CE1 4.11Å; Q37-Y51 HydrophobicContact CG-CE2 4.28Å; Q37-Y51 HydrophobicContact CG-CG 4.21Å; Q37-Y51 VanDerWaalsContact NE2-CE2 3.26Å; Q37-Y51 PolarHBondContact OE1-OH 3.48Å; Q37-V76 PolarHBondContact N-O 3.32Å; Q37-V76 PolarHBondContact O-N 3.49Å; Q37-R78 HydrophobicContact CB-CG 3.9Å |
| 38 | L | 83.7 | Confident | 76 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139.5 | 172.4 | -170.9 | 69.2 | 0 | 0 | 0 | 110 | K40 G49 S50 L65 I67 N73 | L38-K40 HydrophobicContact CD2-CG 4.21Å; L38-K40 HydrophobicContact CG-CG 4.4Å; L38-G49 WeakPolarHBondContact O-CA 3.29Å; L38-G49 PolarHBondContact O-N 3.34Å; L38-S50 PolarHBondContact N-O 2.68Å; L38-L65 HydrophobicContact CD2-CB 4.45Å; L38-L65 HydrophobicContact CD2-CD2 4.49Å; L38-I67 HydrophobicContact CD1-CD1 4.23Å; L38-I67 HydrophobicContact CD2-CD1 4.07Å; L38-I67 HydrophobicContact CD2-CG1 3.88Å; L38-N73 HydrophobicContact CD1-CB 4.27Å |
| 39 | Y | 79.6 | Confident | 76 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 119.4 | 172.5 | -172.6 | -99.1 | 0 | 0 | 0 | 109.3 | F41 S46 F48 N73 S74 V76 | Y39-F41 HydrophobicContact CD1-CD2 4.09Å; Y39-F41 HydrophobicContact CD1-CE1 4.24Å; Y39-F41 AromaticContact CD1-CE2 3.66Å; Y39-F41 HydrophobicContact CD1-CE2 3.66Å; Y39-F41 AromaticContact CD1-CZ 3.75Å; Y39-F41 HydrophobicContact CD1-CZ 3.75Å; Y39-F41 HydrophobicContact CE1-CD1 4.09Å; Y39-F41 HydrophobicContact CE1-CD2 4.36Å; Y39-F41 AromaticContact CE1-CE1 3.68Å; Y39-F41 HydrophobicContact CE1-CE1 3.68Å; Y39-F41 AromaticContact CE1-CE2 3.97Å; Y39-F41 HydrophobicContact CE1-CE2 3.97Å; Y39-F41 HydrophobicContact CE1-CG 4.43Å; Y39-F41 AromaticContact CE1-CZ 3.61Å; Y39-F41 HydrophobicContact CE1-CZ 3.61Å; Y39-S46 VanDerWaalsContact OH-CB 3.28Å; Y39-S46 WeakPolarHBondContact OH-CB 3.5Å; Y39-F48 AromaticContact CD2-CD1 3.57Å; Y39-F48 HydrophobicContact CD2-CD1 3.57Å; Y39-F48 HydrophobicContact CD2-CD2 4.19Å; Y39-F48 AromaticContact CD2-CE1 3.47Å; Y39-F48 HydrophobicContact CD2-CE1 3.47Å; Y39-F48 VanDerWaalsContact CD2-CE1 3.47Å; Y39-F48 HydrophobicContact CD2-CE2 4.12Å; Y39-F48 AromaticContact CD2-CG 3.92Å; Y39-F48 HydrophobicContact CD2-CG 3.92Å; Y39-F48 AromaticContact CD2-CZ 3.76Å; Y39-F48 HydrophobicContact CD2-CZ 3.76Å; Y39-F48 HydrophobicContact CE2-CD1 4.2Å; Y39-F48 HydrophobicContact CE2-CD2 4.03Å; Y39-F48 AromaticContact CE2-CE1 3.9Å; Y39-F48 HydrophobicContact CE2-CE1 3.9Å; Y39-F48 AromaticContact CE2-CE2 3.74Å; Y39-F48 HydrophobicContact CE2-CE2 3.74Å; Y39-F48 HydrophobicContact CE2-CG 4.24Å; Y39-F48 AromaticContact CE2-CZ 3.66Å; Y39-F48 HydrophobicContact CE2-CZ 3.66Å; Y39-F48 HydrophobicContact CG-CE1 4.48Å; Y39-N73 WeakPolarHBondContact O-CA 3.44Å; Y39-S74 PolarHBondContact N-O 2.87Å; Y39-S74 PolarHBondContact O-N 2.81Å; Y39-V76 HydrophobicContact CG-CG2 4.42Å |
| 40 | K | 77.2 | Confident | 76.2 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 8% | 0.083 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122.8 | -174.7 | -52.9 | -163.5 | 176.6 | -175.3 | 0 | 110.2 | L38 G42 S46 E47 L65 E66 N73 | L38-K40 HydrophobicContact CD2-CG 4.21Å; L38-K40 HydrophobicContact CG-CG 4.4Å; K40-G42 PolarHBondContact O-N 3.32Å; K40-S46 WeakPolarHBondContact O-CA 3.23Å; K40-E47 HydrophobicContact CB-CG 4Å; K40-E47 PolarHBondContact N-O 3.02Å; K40-E47 PolarHBondContact O-N 3.17Å; K40-L65 WeakPolarHBondContact CE-O 3.43Å; K40-L65 PolarHBondContact NZ-O 3Å; K40-E66 PolarHBondContact NZ-O 2.9Å; K40-N73 WeakPolarHBondContact CG-OD1 3.45Å |
| 41 | F | 70.5 | Confident | 76.2 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 20% | 0.197 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 94.2 | 173.5 | -69.3 | -91.1 | 0 | 0 | 0 | 110.2 | Y39 E72 T483 | Y39-F41 HydrophobicContact CD1-CD2 4.09Å; Y39-F41 HydrophobicContact CD1-CE1 4.24Å; Y39-F41 AromaticContact CD1-CE2 3.66Å; Y39-F41 HydrophobicContact CD1-CE2 3.66Å; Y39-F41 AromaticContact CD1-CZ 3.75Å; Y39-F41 HydrophobicContact CD1-CZ 3.75Å; Y39-F41 HydrophobicContact CE1-CD1 4.09Å; Y39-F41 HydrophobicContact CE1-CD2 4.36Å; Y39-F41 AromaticContact CE1-CE1 3.68Å; Y39-F41 HydrophobicContact CE1-CE1 3.68Å; Y39-F41 AromaticContact CE1-CE2 3.97Å; Y39-F41 HydrophobicContact CE1-CE2 3.97Å; Y39-F41 HydrophobicContact CE1-CG 4.43Å; Y39-F41 AromaticContact CE1-CZ 3.61Å; Y39-F41 HydrophobicContact CE1-CZ 3.61Å; F41-E72 HydrophobicContact CB-CB 4.3Å; F41-E72 WeakPolarHBondContact CB-O 3.4Å; F41-E72 HydrophobicContact CD2-CB 4.31Å; F41-E72 PolarHBondContact N-O 2.93Å; F41-T483 HydrophobicContact CD1-CG2 4.37Å; F41-T483 HydrophobicContact CD2-CG2 3.96Å; F41-T483 HydrophobicContact CE1-CG2 4.07Å; F41-T483 HydrophobicContact CE2-CG2 3.62Å; F41-T483 HydrophobicContact CG-CG2 4.32Å; F41-T483 HydrophobicContact CZ-CG2 3.68Å |
| 42 | G | 64.2 | Low | 76.1 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 26% | 0.258 | 28% | 0.282 | S | S | . | . | trans | -80.6 | 154.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K40 A44 Q45 | K40-G42 PolarHBondContact O-N 3.32Å; G42-A44 VanDerWaalsContact C-N 3.27Å; G42-A44 PolarHBondContact O-N 2.73Å; G42-Q45 CarbonylContact C-O 3.59Å; G42-Q45 WeakPolarHBondContact CA-O 3.04Å; G42-Q45 PolarHBondContact N-O 2.75Å | ||
| 43 | Q | 54.6 | Low | 76 | Confident | 215 Ų | 215 | 50 Ų | 50 | 100% | 1.005 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -71 | -17.7 | -177.4 | -68.4 | -175 | -4.9 | 0 | 0 | 114.3 | ||
| 44 | A | 60.2 | Low | 75.9 | Confident | 80 Ų | 80 | 49 Ų | 49 | 66% | 0.661 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -109 | -44.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G42 R1361 | G42-A44 VanDerWaalsContact C-N 3.27Å; G42-A44 PolarHBondContact O-N 2.73Å; A44-R1361 PolarHBondContact O-NH2 2.62Å |
| 45 | Q | 57.9 | Low | 75.7 | Confident | 153 Ų | 153 | 55.4 Ų | 55.4 | 72% | 0.715 | 30% | 0.296 | S | S | * | . | trans | -142 | 149.8 | 173.4 | -63 | -175.9 | 1.7 | 0 | 0 | 108.3 | G42 | G42-Q45 CarbonylContact C-O 3.59Å; G42-Q45 WeakPolarHBondContact CA-O 3.04Å; G42-Q45 PolarHBondContact N-O 2.75Å | ||
| 46 | S | 67.5 | Low | 75.2 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 138.1 | 170.7 | -60.9 | 0 | 0 | 0 | 0 | 109.1 | Y39 K40 | Y39-S46 VanDerWaalsContact OH-CB 3.28Å; Y39-S46 WeakPolarHBondContact OH-CB 3.5Å; K40-S46 WeakPolarHBondContact O-CA 3.23Å |
| 47 | E | 72.7 | Confident | 74.9 | Confident | 117 Ų | 117 | 56.7 Ų | 56.7 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 147.9 | -169.4 | 62.1 | 172 | -166.4 | 0 | 0 | 113.1 | K40 G49 | K40-E47 HydrophobicContact CB-CG 4Å; K40-E47 PolarHBondContact N-O 3.02Å; K40-E47 PolarHBondContact O-N 3.17Å; E47-G49 PolarHBondContact O-N 3.2Å |
| 48 | F | 73.6 | Confident | 74.6 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 31% | 0.307 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 113.8 | 166.7 | -74 | -78.9 | 0 | 0 | 0 | 109.2 | Y39 V76 R78 | Y39-F48 AromaticContact CD2-CD1 3.57Å; Y39-F48 HydrophobicContact CD2-CD1 3.57Å; Y39-F48 HydrophobicContact CD2-CD2 4.19Å; Y39-F48 AromaticContact CD2-CE1 3.47Å; Y39-F48 HydrophobicContact CD2-CE1 3.47Å; Y39-F48 VanDerWaalsContact CD2-CE1 3.47Å; Y39-F48 HydrophobicContact CD2-CE2 4.12Å; Y39-F48 AromaticContact CD2-CG 3.92Å; Y39-F48 HydrophobicContact CD2-CG 3.92Å; Y39-F48 AromaticContact CD2-CZ 3.76Å; Y39-F48 HydrophobicContact CD2-CZ 3.76Å; Y39-F48 HydrophobicContact CE2-CD1 4.2Å; Y39-F48 HydrophobicContact CE2-CD2 4.03Å; Y39-F48 AromaticContact CE2-CE1 3.9Å; Y39-F48 HydrophobicContact CE2-CE1 3.9Å; Y39-F48 AromaticContact CE2-CE2 3.74Å; Y39-F48 HydrophobicContact CE2-CE2 3.74Å; Y39-F48 HydrophobicContact CE2-CG 4.24Å; Y39-F48 AromaticContact CE2-CZ 3.66Å; Y39-F48 HydrophobicContact CE2-CZ 3.66Å; Y39-F48 HydrophobicContact CG-CE1 4.48Å; F48-V76 HydrophobicContact CE1-CG1 4.47Å; F48-V76 HydrophobicContact CE1-CG2 4.35Å; F48-R78 VanDerWaalsContact CD1-NH2 3.32Å; F48-R78 VanDerWaalsContact CE2-NH2 3.32Å |
| 49 | G | 73.5 | Confident | 74.3 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 12% | 0.124 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -160.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q37 L38 E47 | Q37-G49 VanDerWaalsContact CG-O 3.27Å; Q37-G49 WeakPolarHBondContact CG-O 3.41Å; Q37-G49 PolarHBondContact NE2-O 3.09Å; L38-G49 WeakPolarHBondContact O-CA 3.29Å; L38-G49 PolarHBondContact O-N 3.34Å; E47-G49 PolarHBondContact O-N 3.2Å |
| 50 | S | 77 | Confident | 74.1 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 139.2 | -175.1 | -45 | 0 | 0 | 0 | 0 | 113.5 | L38 | L38-S50 PolarHBondContact N-O 2.68Å |
| 51 | Y | 83.5 | Confident | 74.3 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 136 | 162 | -75.4 | -88.7 | 0 | 0 | 0 | 110.6 | T35 Q37 R78 L81 R84 D114 D116 | T35-Y51 HydrophobicContact CG2-CD1 3.74Å; T35-Y51 HydrophobicContact CG2-CE1 3.82Å; Q37-Y51 HydrophobicContact CB-CD1 3.93Å; Q37-Y51 HydrophobicContact CB-CE1 3.96Å; Q37-Y51 HydrophobicContact CB-CG 4.47Å; Q37-Y51 VanDerWaalsContact CD-CZ 3.49Å; Q37-Y51 HydrophobicContact CG-CD1 4.1Å; Q37-Y51 HydrophobicContact CG-CD2 4.29Å; Q37-Y51 HydrophobicContact CG-CE1 4.11Å; Q37-Y51 HydrophobicContact CG-CE2 4.28Å; Q37-Y51 HydrophobicContact CG-CG 4.21Å; Q37-Y51 VanDerWaalsContact NE2-CE2 3.26Å; Q37-Y51 PolarHBondContact OE1-OH 3.48Å; Y51-R78 HydrophobicContact CE1-CB 4.14Å; Y51-R78 HydrophobicContact CE1-CG 4.34Å; Y51-L81 HydrophobicContact CD1-CD1 4.43Å; Y51-L81 HydrophobicContact CD2-CD1 3.76Å; Y51-L81 HydrophobicContact CD2-CG 4.41Å; Y51-L81 HydrophobicContact CE1-CD1 4.45Å; Y51-L81 HydrophobicContact CE1-CD2 4.36Å; Y51-L81 HydrophobicContact CE1-CG 4.17Å; Y51-L81 HydrophobicContact CE2-CD1 3.79Å; Y51-L81 HydrophobicContact CE2-CD2 3.73Å; Y51-L81 HydrophobicContact CE2-CG 4.02Å; Y51-L81 HydrophobicContact CG-CD1 4.09Å; Y51-L81 WeakPolarHBondContact OH-CD2 3.11Å; Y51-R84 PolarHBondContact OH-NH1 3.05Å; Y51-D114 PolarHBondContact OH-OD2 3.18Å; Y51-D114 VanDerWaalsContact OH-OD2 3.12Å; Y51-D116 HydrophobicContact CD2-CB 4Å; Y51-D116 HydrophobicContact CE2-CB 3.83Å |
| 52 | L | 83.5 | Confident | 74.5 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.1 | 175.3 | -51 | -175.4 | 0 | 0 | 0 | 109.1 | L14 L36 L54 L58 L65 V75 | L14-L52 HydrophobicContact CD1-CB 3.76Å; L14-L52 HydrophobicContact CD1-CD1 3.98Å; L14-L52 HydrophobicContact CD1-CG 4.47Å; L36-L52 HydrophobicContact CB-CB 4.17Å; L36-L52 HydrophobicContact CB-CD1 3.88Å; L36-L52 HydrophobicContact CB-CG 4.16Å; L36-L52 HydrophobicContact CD1-CD1 4.38Å; L36-L52 PolarHBondContact O-N 3.14Å; L52-L54 PolarHBondContact O-N 2.67Å; L52-L58 HydrophobicContact CD1-CD1 4.28Å; L52-L58 HydrophobicContact CD2-CD1 4.49Å; L52-L65 HydrophobicContact CD2-CD1 4.14Å; L52-L65 HydrophobicContact CD2-CD2 3.52Å; L52-V75 HydrophobicContact CD1-CG1 4.11Å; L52-V75 HydrophobicContact CD1-CG2 4.34Å |
| 53 | D | 83.7 | Confident | 74.8 | Confident | 50 Ų | 50 | 72 Ų | 72 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 119.4 | 174.6 | 139.4 | 14.9 | 0 | 0 | 0 | 108.3 | D55 S56 Q61 K1315 | D53-D55 VanDerWaalsContact C-N 3.28Å; D53-D55 PolarHBondContact O-N 2.71Å; D53-D55 PolarHBondContact OD1-N 3.48Å; D53-S56 PolarHBondContact OD1-N 3Å; D53-S56 PolarHBondContact OD1-OG 2.94Å; D53-S56 PolarHBondContact OD2-OG 3.42Å; D53-S56 VanDerWaalsContact OD2-OG 3.12Å; D53-Q61 VanDerWaalsContact CG-NE2 3.26Å; D53-Q61 PolarHBondContact O-NE2 3.11Å; D53-K1315 IonicContact OD2-NZ 3.28Å; D53-K1315 PolarHBondContact OD2-NZ 3.22Å |
| 54 | L | 84.7 | Confident | 75.4 | Confident | 24 Ų | 24 | 66.4 Ų | 66.4 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -19.7 | -167.2 | -63.8 | 171.5 | 0 | 0 | 0 | 113.5 | L14 S15 L18 L36 L52 | L14-L54 HydrophobicContact CB-CD2 4.05Å; L14-L54 PolarHBondContact N-O 2.74Å; S15-L54 VanDerWaalsContact CB-O 3.26Å; S15-L54 WeakPolarHBondContact CB-O 3.49Å; S15-L54 PolarHBondContact N-O 3.27Å; S15-L54 PolarHBondContact OG-O 3.05Å; S15-L54 VanDerWaalsContact OG-O 3.13Å; L18-L54 HydrophobicContact CD2-CD1 3.9Å; L18-L54 HydrophobicContact CD2-CD2 4.37Å; L36-L54 HydrophobicContact CD1-CD2 4.15Å; L36-L54 HydrophobicContact CG-CD2 4.27Å; L52-L54 PolarHBondContact O-N 2.67Å |
| 55 | D | 81.8 | Confident | 75.9 | Confident | 135 Ų | 135 | 62.9 Ų | 62.9 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -13.2 | -173.7 | -66.9 | -34.5 | 0 | 0 | 0 | 112.7 | D53 | D53-D55 VanDerWaalsContact C-N 3.28Å; D53-D55 PolarHBondContact O-N 2.71Å; D53-D55 PolarHBondContact OD1-N 3.48Å |
| 56 | S | 78 | Confident | 76.3 | Confident | 25 Ų | 25 | 63 Ų | 63 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -92.2 | 164.4 | 170.4 | -35.2 | 0 | 0 | 0 | 0 | 112.4 | P13 L14 D53 Q61 | P13-S56 WeakPolarHBondContact CA-O 3.46Å; L14-S56 PolarHBondContact N-O 3.34Å; D53-S56 PolarHBondContact OD1-N 3Å; D53-S56 PolarHBondContact OD1-OG 2.94Å; D53-S56 PolarHBondContact OD2-OG 3.42Å; D53-S56 VanDerWaalsContact OD2-OG 3.12Å; S56-Q61 PolarHBondContact OG-NE2 3.47Å; S56-Q61 VanDerWaalsContact OG-NE2 3.08Å |
| 57 | T | 80.5 | Confident | 76.2 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -75.9 | 154.1 | 164.9 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | M10 E11 Q59 E60 Q61 | M10-T57 WeakPolarHBondContact O-CB 3.42Å; E11-T57 VanDerWaalsContact O-CG2 3.3Å; E11-T57 WeakPolarHBondContact O-CG2 3.47Å; T57-Q59 PolarHBondContact O-N 3.34Å; T57-E60 WeakPolarHBondContact CB-OE2 3.36Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.17Å; T57-E60 PolarHBondContact N-OE2 3.26Å; T57-E60 PolarHBondContact O-N 2.97Å; T57-E60 WeakPolarHBondContact OG1-CB 3.36Å; T57-E60 VanDerWaalsContact OG1-CD 3.28Å; T57-E60 WeakPolarHBondContact OG1-CG 3.26Å; T57-E60 PolarHBondContact OG1-N 3.05Å; T57-E60 PolarHBondContact OG1-OE2 3.44Å; T57-Q61 PolarHBondContact O-N 2.63Å |
| 58 | L | 79.2 | Confident | 75.6 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.7 | -26.4 | 175.9 | -165 | 68.8 | 0 | 0 | 0 | 111.8 | I8 M10 L14 L52 Q61 W62 L65 I492 | I8-L58 HydrophobicContact CG2-CD2 4.26Å; M10-L58 HydrophobicContact CE-CB 4.29Å; M10-L58 HydrophobicContact CE-CD2 4.4Å; M10-L58 HydrophobicContact CE-CG 4.32Å; M10-L58 PolarHBondContact O-N 3.19Å; M10-L58 HydrophobicContact SD-CB 4.32Å; M10-L58 HydrophobicContact SD-CD2 3.9Å; M10-L58 HydrophobicContact SD-CG 4.38Å; L14-L58 HydrophobicContact CD1-CD1 4.2Å; L14-L58 HydrophobicContact CD2-CB 4.35Å; L52-L58 HydrophobicContact CD1-CD1 4.28Å; L52-L58 HydrophobicContact CD2-CD1 4.49Å; L58-Q61 PolarHBondContact O-N 2.65Å; L58-W62 HydrophobicContact CD2-CZ3 4.48Å; L58-W62 HydrophobicContact CG-CE3 4.49Å; L58-W62 PolarHBondContact O-N 2.67Å; L58-W62 VanDerWaalsContact O-N 3.1Å; L58-L65 HydrophobicContact CD1-CD1 3.99Å; L58-I492 HydrophobicContact CD2-CD1 3.47Å; L58-I492 VanDerWaalsContact CD2-CD1 3.47Å |
| 59 | Q | 77.6 | Confident | 74.8 | Confident | 81 Ų | 81 | 60 Ų | 60 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 173.5 | -177.3 | 70.7 | 4.7 | 0 | 0 | 112.6 | M10 T57 Q61 | M10-Q59 HydrophobicContact CB-CB 4.43Å; M10-Q59 HydrophobicContact CE-CB 4.27Å; M10-Q59 VanDerWaalsContact O-CB 3.3Å; M10-Q59 WeakPolarHBondContact O-CB 3.46Å; M10-Q59 PolarHBondContact O-N 3.26Å; M10-Q59 VanDerWaalsContact O-N 3.11Å; T57-Q59 PolarHBondContact O-N 3.34Å; Q59-Q61 VanDerWaalsContact C-N 3.3Å; Q59-Q61 PolarHBondContact O-N 3.37Å |
| 60 | E | 75.4 | Confident | 73.9 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -71.1 | -24.3 | 177.6 | -75.6 | 163.6 | 128.9 | 0 | 0 | 113.3 | T57 | T57-E60 WeakPolarHBondContact CB-OE2 3.36Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.17Å; T57-E60 PolarHBondContact N-OE2 3.26Å; T57-E60 PolarHBondContact O-N 2.97Å; T57-E60 WeakPolarHBondContact OG1-CB 3.36Å; T57-E60 VanDerWaalsContact OG1-CD 3.28Å; T57-E60 WeakPolarHBondContact OG1-CG 3.26Å; T57-E60 PolarHBondContact OG1-N 3.05Å; T57-E60 PolarHBondContact OG1-OE2 3.44Å |
| 61 | Q | 80.5 | Confident | 73.2 | Confident | 8 Ų | 8 | 68.2 Ų | 68.2 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -96.8 | -8.4 | 179.2 | -65.7 | 179.4 | 4.1 | 0 | 0 | 113.3 | D53 S56 T57 L58 Q59 E63 D64 L65 | D53-Q61 VanDerWaalsContact CG-NE2 3.26Å; D53-Q61 PolarHBondContact O-NE2 3.11Å; S56-Q61 PolarHBondContact OG-NE2 3.47Å; S56-Q61 VanDerWaalsContact OG-NE2 3.08Å; T57-Q61 PolarHBondContact O-N 2.63Å; L58-Q61 PolarHBondContact O-N 2.65Å; Q59-Q61 VanDerWaalsContact C-N 3.3Å; Q59-Q61 PolarHBondContact O-N 3.37Å; Q61-E63 VanDerWaalsContact C-N 3.26Å; Q61-E63 PolarHBondContact O-N 2.94Å; Q61-E63 VanDerWaalsContact O-N 3.13Å; Q61-D64 PolarHBondContact O-N 3.36Å; Q61-L65 WeakPolarHBondContact O-CG 3.31Å; Q61-L65 PolarHBondContact O-N 2.87Å |
| 62 | W | 75.8 | Confident | 72.3 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 22% | 0.22 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.3 | -168.7 | -170.1 | -89 | 0 | 0 | 0 | 114.2 | M10 L58 I67 I486 | M10-W62 HydrophobicContact CE-CD2 4.4Å; M10-W62 HydrophobicContact CE-CE3 3.74Å; M10-W62 HydrophobicContact CE-CZ3 4.22Å; L58-W62 HydrophobicContact CD2-CZ3 4.48Å; L58-W62 HydrophobicContact CG-CE3 4.49Å; L58-W62 PolarHBondContact O-N 2.67Å; L58-W62 VanDerWaalsContact O-N 3.1Å; W62-I67 HydrophobicContact CH2-CD1 4.43Å; W62-I67 HydrophobicContact CZ2-CG2 4.45Å; W62-I67 HydrophobicContact CZ3-CD1 4.42Å; W62-I486 HydrophobicContact CH2-CG2 4.02Å; W62-I486 HydrophobicContact CZ3-CG2 4.47Å |
| 63 | E | 69.9 | Low | 71.7 | Confident | 184 Ų | 184 | 70.1 Ų | 70.1 | 86% | 0.86 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -29.1 | 177.8 | -62.2 | -177.3 | 171.3 | 0 | 0 | 112.5 | Q61 | Q61-E63 VanDerWaalsContact C-N 3.26Å; Q61-E63 PolarHBondContact O-N 2.94Å; Q61-E63 VanDerWaalsContact O-N 3.13Å |
| 64 | D | 67.1 | Low | 71.4 | Confident | 97 Ų | 97 | 67.9 Ų | 67.9 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -12.7 | -178.7 | -68.9 | -19.9 | 0 | 0 | 0 | 113.3 | Q61 | Q61-D64 PolarHBondContact O-N 3.36Š|
| 65 | L | 70.7 | Confident | 71.2 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -10.5 | -172.1 | -68.8 | 171 | 0 | 0 | 0 | 114.8 | L38 K40 L52 L58 Q61 I67 | L38-L65 HydrophobicContact CD2-CB 4.45Å; L38-L65 HydrophobicContact CD2-CD2 4.49Å; K40-L65 WeakPolarHBondContact CE-O 3.43Å; K40-L65 PolarHBondContact NZ-O 3Å; L52-L65 HydrophobicContact CD2-CD1 4.14Å; L52-L65 HydrophobicContact CD2-CD2 3.52Å; L58-L65 HydrophobicContact CD1-CD1 3.99Å; Q61-L65 WeakPolarHBondContact O-CG 3.31Å; Q61-L65 PolarHBondContact O-N 2.87Å; L65-I67 VanDerWaalsContact C-N 3.29Å; L65-I67 HydrophobicContact CB-CD1 3.75Å; L65-I67 HydrophobicContact CB-CG1 3.88Å; L65-I67 HydrophobicContact CD1-CD1 3.99Å; L65-I67 HydrophobicContact CG-CD1 4.49Å; L65-I67 PolarHBondContact O-N 3.41Å |
| 66 | E | 66.2 | Low | 71.2 | Confident | 154 Ų | 154 | 60.6 Ų | 60.6 | 72% | 0.72 | 32% | 0.315 | S | S | * | . | trans | 49.2 | 47.4 | -177.9 | -63.7 | -179.6 | 167.8 | 0 | 0 | 112.7 | K40 | K40-E66 PolarHBondContact NZ-O 2.9Š| ||
| 67 | I | 65.8 | Low | 71.5 | Confident | 35 Ų | 35 | 60.1 Ų | 60.1 | 18% | 0.179 | 31% | 0.31 | C | S | . | . | trans | -89.1 | 106.6 | 179.1 | -66.6 | 169.2 | 0 | 0 | 0 | 109.4 | L38 W62 L65 | L38-I67 HydrophobicContact CD1-CD1 4.23Å; L38-I67 HydrophobicContact CD2-CD1 4.07Å; L38-I67 HydrophobicContact CD2-CG1 3.88Å; W62-I67 HydrophobicContact CH2-CD1 4.43Å; W62-I67 HydrophobicContact CZ2-CG2 4.45Å; W62-I67 HydrophobicContact CZ3-CD1 4.42Å; L65-I67 VanDerWaalsContact C-N 3.29Å; L65-I67 HydrophobicContact CB-CD1 3.75Å; L65-I67 HydrophobicContact CB-CG1 3.88Å; L65-I67 HydrophobicContact CD1-CD1 3.99Å; L65-I67 HydrophobicContact CG-CD1 4.49Å; L65-I67 PolarHBondContact O-N 3.41Å | ||
| 68 | S | 59.6 | Low | 71.7 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | trans | -71.5 | 132.9 | 166.5 | -70.8 | 0 | 0 | 0 | 0 | 110.3 | D70 Q71 | S68-D70 PolarHBondContact O-N 3.41Å; S68-D70 VanDerWaalsContact O-N 3.08Å; S68-Q71 PolarHBondContact O-N 3.1Å; S68-Q71 VanDerWaalsContact O-N 3.14Å | ||
| 69 | A | 57.1 | Low | 71.9 | Confident | 75 Ų | 75 | 63 Ų | 63 | 62% | 0.62 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 70 | D | 55.5 | Low | 72.4 | Confident | 152 Ų | 152 | 62.6 Ų | 62.6 | 81% | 0.813 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -4.5 | -178.5 | -55.4 | -52.5 | 0 | 0 | 0 | 113.6 | S68 | S68-D70 PolarHBondContact O-N 3.41Å; S68-D70 VanDerWaalsContact O-N 3.08Å |
| 71 | Q | 61.3 | Low | 72.9 | Confident | 80 Ų | 80 | 56.9 Ų | 56.9 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -96.5 | 140.3 | 176.9 | -78.9 | -177.9 | -39.5 | 0 | 0 | 112.1 | S68 N73 | S68-Q71 PolarHBondContact O-N 3.1Å; S68-Q71 VanDerWaalsContact O-N 3.14Å; Q71-N73 PolarHBondContact O-ND2 3.48Å |
| 72 | E | 64.2 | Low | 73.2 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | trans | -76.1 | 133.3 | 169.9 | -59.3 | -164.6 | 119.1 | 0 | 0 | 109.8 | F41 T483 | F41-E72 HydrophobicContact CB-CB 4.3Å; F41-E72 WeakPolarHBondContact CB-O 3.4Å; F41-E72 HydrophobicContact CD2-CB 4.31Å; F41-E72 PolarHBondContact N-O 2.93Å; E72-T483 HydrophobicContact CB-CG2 4.41Å; E72-T483 VanDerWaalsContact CD-CB 3.46Å; E72-T483 VanDerWaalsContact CD-OG1 3.26Å; E72-T483 WeakPolarHBondContact OE1-CB 3.35Å; E72-T483 PolarHBondContact OE1-OG1 3.12Å; E72-T483 WeakPolarHBondContact OE2-CB 3.37Å; E72-T483 PolarHBondContact OE2-OG1 2.92Å | ||
| 73 | N | 72.3 | Confident | 73.8 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.011 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 138.2 | -174.2 | -71.4 | -84.4 | 0 | 0 | 0 | 108.4 | L38 Y39 K40 Q71 I486 | L38-N73 HydrophobicContact CD1-CB 4.27Å; Y39-N73 WeakPolarHBondContact O-CA 3.44Å; K40-N73 WeakPolarHBondContact CG-OD1 3.45Å; Q71-N73 PolarHBondContact O-ND2 3.48Å; N73-I486 HydrophobicContact CB-CD1 4.05Å; N73-I486 VanDerWaalsContact O-CD1 3.22Å; N73-I486 WeakPolarHBondContact O-CD1 3.3Å; N73-I486 WeakPolarHBondContact O-CG1 3.47Å |
| 74 | S | 76.7 | Confident | 74.8 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 159.9 | 176.3 | -73.8 | 0 | 0 | 0 | 0 | 110.5 | Y39 V495 | Y39-S74 PolarHBondContact N-O 2.87Å; Y39-S74 PolarHBondContact O-N 2.81Å; S74-V495 WeakPolarHBondContact OG-CG2 3.49Å |
| 75 | V | 80.1 | Confident | 75.9 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.4 | 167.2 | -179.5 | 0 | 0 | 0 | 0 | 109 | L36 L52 I492 S493 L494 V495 | L36-V75 HydrophobicContact CB-CG1 3.78Å; L36-V75 HydrophobicContact CD1-CG1 4.38Å; L36-V75 HydrophobicContact CD2-CG1 3.83Å; L36-V75 HydrophobicContact CG-CG1 4.2Å; L52-V75 HydrophobicContact CD1-CG1 4.11Å; L52-V75 HydrophobicContact CD1-CG2 4.34Å; V75-I492 HydrophobicContact CB-CG2 4.24Å; V75-I492 HydrophobicContact CG2-CG2 3.68Å; V75-S493 PolarHBondContact N-O 3.27Å; V75-S493 VanDerWaalsContact N-O 3.16Å; V75-L494 HydrophobicContact CB-CD2 4.45Å; V75-L494 WeakPolarHBondContact O-CA 3.36Å; V75-V495 PolarHBondContact O-N 3.1Å |
| 76 | V | 82 | Confident | 76.8 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.8 | 179.8 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | L36 Q37 Y39 F48 R78 V495 D497 | L36-V76 WeakPolarHBondContact CA-O 3.34Å; Q37-V76 PolarHBondContact N-O 3.32Å; Q37-V76 PolarHBondContact O-N 3.49Å; Y39-V76 HydrophobicContact CG-CG2 4.42Å; F48-V76 HydrophobicContact CE1-CG1 4.47Å; F48-V76 HydrophobicContact CE1-CG2 4.35Å; V76-R78 HydrophobicContact CG1-CG 4.27Å; V76-V495 HydrophobicContact CG2-CB 4.45Å; V76-D497 HydrophobicContact CG1-CB 4.26Å |
| 77 | L | 84.2 | Confident | 77.9 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.8 | 170.5 | -166.1 | 79 | 0 | 0 | 0 | 109 | L18 I21 L25 P27 T35 L36 | L18-L77 HydrophobicContact CD1-CD1 3.82Å; I21-L77 HydrophobicContact CG2-CD1 4.27Å; L25-L77 HydrophobicContact CD1-CB 3.89Å; L25-L77 HydrophobicContact CD1-CD2 4.11Å; L25-L77 HydrophobicContact CD1-CG 4.48Å; P27-L77 HydrophobicContact CB-CD2 3.81Å; P27-L77 HydrophobicContact CG-CD2 3.58Å; T35-L77 WeakPolarHBondContact O-CA 3.46Å; L36-L77 HydrophobicContact CD2-CD1 3.66Å |
| 78 | R | 84.3 | Confident | 79.1 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 159.3 | -179.4 | -69 | -68.8 | -139.9 | -169.1 | 9.2 | 110.4 | T35 Q37 F48 Y51 V76 D497 | T35-R78 HydrophobicContact CG2-CB 4.07Å; T35-R78 PolarHBondContact N-O 2.72Å; T35-R78 PolarHBondContact O-N 3.17Å; Q37-R78 HydrophobicContact CB-CG 3.9Å; F48-R78 VanDerWaalsContact CD1-NH2 3.32Å; F48-R78 VanDerWaalsContact CE2-NH2 3.32Å; Y51-R78 HydrophobicContact CE1-CB 4.14Å; Y51-R78 HydrophobicContact CE1-CG 4.34Å; V76-R78 HydrophobicContact CG1-CG 4.27Å; R78-D497 IonicContact NH1-OD2 2.69Å |
| 79 | T | 83.8 | Confident | 80.6 | Confident | 32 Ų | 32 | 45.8 Ų | 45.8 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138 | 163.8 | -49.8 | 0 | 0 | 0 | 0 | 110.3 | H29 D33 L81 V83 R84 | H29-T79 PolarHBondContact CD2-OG1 2.9Å; H29-T79 PolarHBondContact NE2-OG1 3.03Å; D33-T79 CarbonylContact O-C 3.55Å; T79-L81 PolarHBondContact O-N 3.39Å; T79-V83 HydrophobicContact CG2-CB 3.95Å; T79-V83 HydrophobicContact CG2-CG1 3.86Å; T79-R84 HydrophobicContact CG2-CG 4.04Å; T79-R84 WeakPolarHBondContact O-CD 3.5Å |
| 80 | K | 87.3 | Confident | 82.2 | Confident | 71 Ų | 71 | 47.9 Ų | 47.9 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | trans | -53 | 136.1 | 177 | -78.7 | 174.7 | -174.6 | 179.3 | 0 | 111.5 | E32 D33 S34 T35 V82 V83 R84 | E32-K80 WeakPolarHBondContact O-CD 3.39Å; E32-K80 VanDerWaalsContact O-CE 3.26Å; E32-K80 WeakPolarHBondContact O-CE 3.42Å; E32-K80 PolarHBondContact O-NZ 3Å; D33-K80 WeakPolarHBondContact O-CB 3.48Å; D33-K80 WeakPolarHBondContact O-CG 3.48Å; D33-K80 PolarHBondContact O-N 3.3Å; S34-K80 WeakPolarHBondContact O-CE 3.42Å; T35-K80 HydrophobicContact CG2-CG 4.34Å; K80-V82 VanDerWaalsContact C-N 3.28Å; K80-V82 PolarHBondContact O-N 2.96Å; K80-V83 HydrophobicContact CB-CB 4.45Å; K80-V83 HydrophobicContact CB-CG2 3.96Å; K80-V83 WeakPolarHBondContact O-CB 3.46Å; K80-V83 PolarHBondContact O-N 3.36Å; K80-R84 PolarHBondContact O-N 3.4Å | ||
| 81 | L | 86.6 | Confident | 83.9 | Confident | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55 | -41.4 | -179.4 | -67.1 | 164.5 | 0 | 0 | 0 | 112.6 | Y51 T79 V83 R84 V85 D116 L117 E120 R1318 | Y51-L81 HydrophobicContact CD1-CD1 4.43Å; Y51-L81 HydrophobicContact CD2-CD1 3.76Å; Y51-L81 HydrophobicContact CD2-CG 4.41Å; Y51-L81 HydrophobicContact CE1-CD1 4.45Å; Y51-L81 HydrophobicContact CE1-CD2 4.36Å; Y51-L81 HydrophobicContact CE1-CG 4.17Å; Y51-L81 HydrophobicContact CE2-CD1 3.79Å; Y51-L81 HydrophobicContact CE2-CD2 3.73Å; Y51-L81 HydrophobicContact CE2-CG 4.02Å; Y51-L81 HydrophobicContact CG-CD1 4.09Å; Y51-L81 WeakPolarHBondContact OH-CD2 3.11Å; T79-L81 PolarHBondContact O-N 3.39Å; L81-V83 VanDerWaalsContact C-N 3.29Å; L81-V83 PolarHBondContact O-N 3.5Å; L81-R84 PolarHBondContact O-N 2.91Å; L81-V85 WeakPolarHBondContact O-CB 3.46Å; L81-V85 PolarHBondContact O-N 3.45Å; L81-D116 HydrophobicContact CD1-CB 3.8Å; L81-D116 HydrophobicContact CD2-CB 4.15Å; L81-L117 HydrophobicContact CB-CD2 4.4Å; L81-L117 HydrophobicContact CD2-CD2 3.54Å; L81-L117 HydrophobicContact CD2-CG 3.97Å; L81-E120 HydrophobicContact CB-CG 3.67Å; L81-R1318 VanDerWaalsContact CD1-NH2 3.34Å |
| 82 | V | 87.3 | Confident | 85.3 | Confident | 44 Ų | 44 | 39.4 Ų | 39.4 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -55.8 | -40.4 | 174 | 171.5 | 0 | 0 | 0 | 0 | 112.6 | K80 K86 E120 H124 | K80-V82 VanDerWaalsContact C-N 3.28Å; K80-V82 PolarHBondContact O-N 2.96Å; V82-K86 HydrophobicContact CG1-CD 4.26Å; V82-K86 WeakPolarHBondContact O-CB 3.46Å; V82-K86 VanDerWaalsContact O-CG 3.29Å; V82-K86 WeakPolarHBondContact O-CG 3.46Å; V82-K86 PolarHBondContact O-N 3.44Å; V82-E120 HydrophobicContact CG2-CG 4.37Å; V82-E120 WeakPolarHBondContact CG2-OE2 3.33Å; V82-H124 WeakPolarHBondContact CG1-NE2 3.42Å |
| 83 | V | 88 | Confident | 86.5 | Confident | 44 Ų | 44 | 39.7 Ų | 39.7 | 27% | 0.267 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -73.7 | -44.2 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | D33 T79 K80 L81 V85 K86 A87 | D33-V83 HydrophobicContact CB-CG1 4.49Å; D33-V83 HydrophobicContact CB-CG2 4.2Å; D33-V83 VanDerWaalsContact OD1-CG2 3.3Å; D33-V83 WeakPolarHBondContact OD1-CG2 3.35Å; T79-V83 HydrophobicContact CG2-CB 3.95Å; T79-V83 HydrophobicContact CG2-CG1 3.86Å; K80-V83 HydrophobicContact CB-CB 4.45Å; K80-V83 HydrophobicContact CB-CG2 3.96Å; K80-V83 WeakPolarHBondContact O-CB 3.46Å; K80-V83 PolarHBondContact O-N 3.36Å; L81-V83 VanDerWaalsContact C-N 3.29Å; L81-V83 PolarHBondContact O-N 3.5Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 PolarHBondContact O-N 3.02Å; V83-K86 PolarHBondContact O-N 2.91Å; V83-A87 PolarHBondContact O-N 3.44Å |
| 84 | R | 90.4 | Very high | 87.3 | Confident | 69 Ų | 69 | 45.1 Ų | 45.1 | 26% | 0.26 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59 | -43.4 | 173.8 | -69.4 | 172.4 | 64 | -160.1 | -5.1 | 111.9 | Y51 T79 K80 L81 A87 I88 D114 L117 | Y51-R84 PolarHBondContact OH-NH1 3.05Å; T79-R84 HydrophobicContact CG2-CG 4.04Å; T79-R84 WeakPolarHBondContact O-CD 3.5Å; K80-R84 PolarHBondContact O-N 3.4Å; L81-R84 PolarHBondContact O-N 2.91Å; R84-A87 PolarHBondContact O-N 3.02Å; R84-I88 VanDerWaalsContact O-CG1 3.29Å; R84-I88 WeakPolarHBondContact O-CG1 3.26Å; R84-I88 PolarHBondContact O-N 3.32Å; R84-D114 IonicContact CZ-OD2 2.65Å; R84-D114 IonicContact NH1-OD2 3.29Å; R84-D114 PolarHBondContact NH1-OD2 2.96Å; R84-D114 IonicContact NH2-OD2 3.85Å; R84-D114 PolarHBondContact NH2-OD2 3.05Å; R84-L117 HydrophobicContact CB-CD2 3.87Å |
| 85 | V | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 176 | 157.6 | 0 | 0 | 0 | 0 | 112.5 | L81 V83 I88 I89 L117 E120 F121 H124 | L81-V85 WeakPolarHBondContact O-CB 3.46Å; L81-V85 PolarHBondContact O-N 3.45Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 PolarHBondContact O-N 3.02Å; V85-I88 PolarHBondContact O-N 3.12Å; V85-I89 HydrophobicContact CG1-CD1 3.74Å; V85-I89 HydrophobicContact CG1-CG1 4.45Å; V85-I89 WeakPolarHBondContact O-CG1 3.3Å; V85-I89 PolarHBondContact O-N 3.29Å; V85-L117 HydrophobicContact CG2-CB 4.3Å; V85-L117 HydrophobicContact CG2-CD2 3.9Å; V85-E120 HydrophobicContact CB-CB 4.27Å; V85-E120 HydrophobicContact CG1-CB 4.5Å; V85-E120 HydrophobicContact CG2-CB 3.8Å; V85-F121 HydrophobicContact CG1-CB 4.25Å; V85-F121 HydrophobicContact CG1-CD2 4.2Å; V85-F121 HydrophobicContact CG2-CB 4.05Å; V85-H124 HydrophobicContact CG1-CB 4.08Å |
| 86 | K | 90.4 | Very high | 88.2 | Confident | 115 Ų | 115 | 50.8 Ų | 50.8 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 175.5 | -77.2 | 173.3 | -180 | -178.1 | 0 | 111.6 | V82 V83 I88 I89 E90 | V82-K86 HydrophobicContact CG1-CD 4.26Å; V82-K86 WeakPolarHBondContact O-CB 3.46Å; V82-K86 VanDerWaalsContact O-CG 3.29Å; V82-K86 WeakPolarHBondContact O-CG 3.46Å; V82-K86 PolarHBondContact O-N 3.44Å; V83-K86 PolarHBondContact O-N 2.91Å; K86-I88 VanDerWaalsContact C-N 3.3Å; K86-I88 PolarHBondContact O-N 3.06Å; K86-I89 PolarHBondContact O-N 2.71Å; K86-I89 VanDerWaalsContact O-N 3.13Å; K86-E90 VanDerWaalsContact O-CB 3.3Å; K86-E90 WeakPolarHBondContact O-CB 3.31Å; K86-E90 PolarHBondContact O-N 2.98Å |
| 87 | A | 88.5 | Confident | 88.4 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 45% | 0.446 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V83 R84 K91 | V83-A87 PolarHBondContact O-N 3.44Å; R84-A87 PolarHBondContact O-N 3.02Å; A87-K91 WeakPolarHBondContact O-CB 3.35Å; A87-K91 PolarHBondContact O-N 3.39Å |
| 88 | I | 90.8 | Very high | 88.5 | Confident | 28 Ų | 28 | 62.7 Ų | 62.7 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 172.3 | -69.3 | 162 | 0 | 0 | 0 | 110.9 | R84 V85 K86 K91 L92 L107 I110 L117 F121 | R84-I88 VanDerWaalsContact O-CG1 3.29Å; R84-I88 WeakPolarHBondContact O-CG1 3.26Å; R84-I88 PolarHBondContact O-N 3.32Å; V85-I88 PolarHBondContact O-N 3.12Å; K86-I88 VanDerWaalsContact C-N 3.3Å; K86-I88 PolarHBondContact O-N 3.06Å; I88-K91 PolarHBondContact O-N 3.37Å; I88-L92 HydrophobicContact CG2-CD1 3.92Å; I88-L92 HydrophobicContact CG2-CG 4.46Å; I88-L92 WeakPolarHBondContact O-CB 3.46Å; I88-L92 VanDerWaalsContact O-CG 3.23Å; I88-L92 WeakPolarHBondContact O-CG 3.28Å; I88-L92 PolarHBondContact O-N 3.18Å; I88-L107 HydrophobicContact CG2-CD1 3.75Å; I88-I110 HydrophobicContact CD1-CG2 3.95Å; I88-L117 HydrophobicContact CD1-CD1 4.36Å; I88-F121 HydrophobicContact CG2-CE2 4.07Å |
| 89 | I | 92 | Very high | 88.7 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -47.3 | -178 | -68.5 | 168.7 | 0 | 0 | 0 | 111.2 | V85 K86 L92 L93 F121 H124 C129 | V85-I89 HydrophobicContact CG1-CD1 3.74Å; V85-I89 HydrophobicContact CG1-CG1 4.45Å; V85-I89 WeakPolarHBondContact O-CG1 3.3Å; V85-I89 PolarHBondContact O-N 3.29Å; K86-I89 PolarHBondContact O-N 2.71Å; K86-I89 VanDerWaalsContact O-N 3.13Å; I89-L92 PolarHBondContact O-N 2.91Å; I89-L93 HydrophobicContact CG2-CD1 4.04Å; I89-L93 WeakPolarHBondContact O-CG 3.31Å; I89-L93 PolarHBondContact O-N 3.08Å; I89-L93 VanDerWaalsContact O-N 3.08Å; I89-F121 HydrophobicContact CD1-CD2 4.25Å; I89-F121 HydrophobicContact CD1-CE2 4.33Å; I89-F121 HydrophobicContact CG1-CD2 4.03Å; I89-F121 HydrophobicContact CG1-CE2 3.71Å; I89-H124 HydrophobicContact CD1-CB 4.3Å; I89-H124 WeakPolarHBondContact CD1-O 3.43Å; I89-C129 HydrophobicContact CG2-CB 4.1Å |
| 90 | E | 90.6 | Very high | 89 | Confident | 120 Ų | 120 | 63.2 Ų | 63.2 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.5 | -48.9 | 175 | -174 | 168.3 | -151.2 | 0 | 0 | 110.5 | K86 L92 L93 D94 | K86-E90 VanDerWaalsContact O-CB 3.3Å; K86-E90 WeakPolarHBondContact O-CB 3.31Å; K86-E90 PolarHBondContact O-N 2.98Å; E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 2.88Å; E90-L93 PolarHBondContact O-N 3.36Å; E90-L93 VanDerWaalsContact O-N 3.08Å; E90-D94 PolarHBondContact O-N 2.9Å |
| 91 | K | 89.9 | Confident | 89 | Confident | 48 Ų | 48 | 62.9 Ų | 62.9 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -35 | 177.2 | -171.6 | 58.5 | 176.7 | 175.5 | 0 | 113.3 | A87 I88 A95 E99 F588 | A87-K91 WeakPolarHBondContact O-CB 3.35Å; A87-K91 PolarHBondContact O-N 3.39Å; I88-K91 PolarHBondContact O-N 3.37Å; K91-A95 HydrophobicContact CD-CB 4.41Å; K91-A95 WeakPolarHBondContact O-CB 3.44Å; K91-A95 PolarHBondContact O-N 3.44Å; K91-E99 IonicContact NZ-OE1 3.61Å; K91-E99 PolarHBondContact NZ-OE1 3.04Å; K91-E99 IonicContact NZ-OE2 2.69Å; K91-E99 PolarHBondContact NZ-OE2 3.46Å; K91-F588 HydrophobicContact CD-CE1 4.46Å; K91-F588 HydrophobicContact CD-CZ 4.21Å |
| 92 | L | 92 | Very high | 89.1 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -77.3 | -21 | 177.6 | -70.5 | 175.8 | 0 | 0 | 0 | 114 | I88 I89 E90 L100 L104 L107 L130 V133 | I88-L92 HydrophobicContact CG2-CD1 3.92Å; I88-L92 HydrophobicContact CG2-CG 4.46Å; I88-L92 WeakPolarHBondContact O-CB 3.46Å; I88-L92 VanDerWaalsContact O-CG 3.23Å; I88-L92 WeakPolarHBondContact O-CG 3.28Å; I88-L92 PolarHBondContact O-N 3.18Å; I89-L92 PolarHBondContact O-N 2.91Å; E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 2.88Å; L92-L100 HydrophobicContact CD2-CD1 4.23Å; L92-L104 HydrophobicContact CD1-CD2 4.37Å; L92-L104 HydrophobicContact CD2-CD2 3.51Å; L92-L104 HydrophobicContact CD2-CG 3.74Å; L92-L107 HydrophobicContact CD1-CD1 4.45Å; L92-L107 HydrophobicContact CD1-CD2 3.83Å; L92-L130 HydrophobicContact CD1-CD2 4.37Å; L92-V133 WeakPolarHBondContact O-CG2 3.33Å |
| 93 | L | 89.3 | Confident | 89.2 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 45% | 0.45 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -85.7 | -37.5 | 175.9 | -68.7 | 171.5 | 0 | 0 | 0 | 112.2 | I89 E90 V133 | I89-L93 HydrophobicContact CG2-CD1 4.04Å; I89-L93 WeakPolarHBondContact O-CG 3.31Å; I89-L93 PolarHBondContact O-N 3.08Å; I89-L93 VanDerWaalsContact O-N 3.08Å; E90-L93 PolarHBondContact O-N 3.36Å; E90-L93 VanDerWaalsContact O-N 3.08Å; L93-V133 HydrophobicContact CD2-CG2 4.39Å |
| 94 | D | 89.5 | Confident | 89.3 | Confident | 117 Ų | 117 | 67.9 Ų | 67.9 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -92.2 | -30.1 | -175.8 | -67.9 | -22.5 | 0 | 0 | 0 | 113.9 | E90 N96 | E90-D94 PolarHBondContact O-N 2.9Å; D94-N96 PolarHBondContact O-ND2 3.5Å |
| 95 | A | 88.6 | Confident | 89.2 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | trans | -66.2 | 142.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K91 E99 L100 | K91-A95 HydrophobicContact CD-CB 4.41Å; K91-A95 WeakPolarHBondContact O-CB 3.44Å; K91-A95 PolarHBondContact O-N 3.44Å; A95-E99 HydrophobicContact CB-CB 4.29Å; A95-E99 HydrophobicContact CB-CG 4.04Å; A95-L100 HydrophobicContact CB-CB 4.26Å; A95-L100 HydrophobicContact CB-CD1 4.48Å | ||
| 96 | N | 85.8 | Confident | 89.1 | Confident | 121 Ų | 121 | 73.9 Ų | 73.9 | 65% | 0.647 | 37% | 0.366 | S | S | * | . | trans | -131.8 | 154.4 | -176.5 | -86.3 | -87.6 | 0 | 0 | 0 | 112.6 | D94 R98 E99 | D94-N96 PolarHBondContact O-ND2 3.5Å; N96-R98 PolarHBondContact O-N 3.29Å; N96-E99 PolarHBondContact O-N 2.72Å; N96-E99 VanDerWaalsContact O-N 3.11Å | ||
| 97 | G | 85.8 | Confident | 89.1 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | 55.4 | -118.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E99 K101 | G97-E99 VanDerWaalsContact C-N 3.3Å; G97-E99 PolarHBondContact O-N 2.84Å; G97-K101 PolarHBondContact O-N 3.44Å |
| 98 | R | 87.2 | Confident | 89.2 | Confident | 220 Ų | 220 | 67.6 Ų | 67.6 | 83% | 0.83 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.3 | -29.9 | -179.5 | -79.8 | -171.2 | -75.4 | -176.7 | -3.7 | 113.2 | N96 R102 | N96-R98 PolarHBondContact O-N 3.29Å; R98-R102 WeakPolarHBondContact O-CG 3.34Å; R98-R102 PolarHBondContact O-N 2.81Å; R98-R102 VanDerWaalsContact O-N 3.14Å |
| 99 | E | 87.6 | Confident | 89.1 | Confident | 82 Ų | 82 | 70.6 Ų | 70.6 | 38% | 0.383 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -75.2 | -42.1 | -178.7 | -169.1 | 178.2 | -139.9 | 0 | 0 | 111.6 | K91 A95 N96 G97 K101 R102 S103 | K91-E99 IonicContact NZ-OE1 3.61Å; K91-E99 PolarHBondContact NZ-OE1 3.04Å; K91-E99 IonicContact NZ-OE2 2.69Å; K91-E99 PolarHBondContact NZ-OE2 3.46Å; A95-E99 HydrophobicContact CB-CB 4.29Å; A95-E99 HydrophobicContact CB-CG 4.04Å; N96-E99 PolarHBondContact O-N 2.72Å; N96-E99 VanDerWaalsContact O-N 3.11Å; G97-E99 VanDerWaalsContact C-N 3.3Å; G97-E99 PolarHBondContact O-N 2.84Å; E99-K101 VanDerWaalsContact C-N 3.33Å; E99-K101 PolarHBondContact O-N 3.39Å; E99-R102 PolarHBondContact O-N 2.88Å; E99-S103 WeakPolarHBondContact O-CB 3.47Å; E99-S103 PolarHBondContact O-N 2.98Å; E99-S103 PolarHBondContact O-OG 3.38Å |
| 100 | L | 89.9 | Confident | 88.9 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 172.4 | -175.9 | 58.2 | 0 | 0 | 0 | 111.3 | L92 A95 R102 S103 L104 V133 I141 | L92-L100 HydrophobicContact CD2-CD1 4.23Å; A95-L100 HydrophobicContact CB-CB 4.26Å; A95-L100 HydrophobicContact CB-CD1 4.48Å; L100-R102 PolarHBondContact O-N 3.37Å; L100-S103 PolarHBondContact O-N 3.31Å; L100-L104 HydrophobicContact CD1-CD1 3.84Å; L100-L104 HydrophobicContact CD1-CG 4.14Å; L100-L104 HydrophobicContact CG-CD1 3.89Å; L100-L104 WeakPolarHBondContact O-CB 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 2.69Å; L100-V133 HydrophobicContact CD1-CG1 4.29Å; L100-V133 HydrophobicContact CD2-CG1 4.07Å; L100-I141 HydrophobicContact CD2-CD1 4.13Å |
| 101 | K | 87.9 | Confident | 88.9 | Confident | 63 Ų | 63 | 66.5 Ų | 66.5 | 27% | 0.274 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 176.8 | -75.9 | -175.9 | 174.8 | -176.2 | 0 | 112.9 | G97 E99 F105 D138 I141 Y144 | G97-K101 PolarHBondContact O-N 3.44Å; E99-K101 VanDerWaalsContact C-N 3.33Å; E99-K101 PolarHBondContact O-N 3.39Å; K101-F105 VanDerWaalsContact O-CB 3.28Å; K101-F105 WeakPolarHBondContact O-CB 3.23Å; K101-F105 PolarHBondContact O-N 2.98Å; K101-F105 VanDerWaalsContact O-N 3.08Å; K101-D138 WeakPolarHBondContact CE-OD1 3.27Å; K101-D138 WeakPolarHBondContact CE-OD2 3.12Å; K101-D138 IonicContact NZ-OD1 2.7Å; K101-D138 IonicContact NZ-OD2 2.69Å; K101-D138 PolarHBondContact NZ-OD2 3.11Å; K101-I141 HydrophobicContact CD-CG1 4.28Å; K101-I141 HydrophobicContact CG-CD1 4.01Å; K101-I141 HydrophobicContact CG-CG1 3.6Å; K101-Y144 HydrophobicContact CB-CE2 4.42Å; K101-Y144 HydrophobicContact CG-CE2 4.49Å |
| 102 | R | 88.7 | Confident | 88.8 | Confident | 182 Ų | 182 | 68.8 Ų | 68.8 | 69% | 0.687 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.9 | -47.6 | 172.6 | -75.4 | 174.1 | 173.1 | 170.1 | -6.3 | 112 | R98 E99 L100 L104 F105 S106 | R98-R102 WeakPolarHBondContact O-CG 3.34Å; R98-R102 PolarHBondContact O-N 2.81Å; R98-R102 VanDerWaalsContact O-N 3.14Å; E99-R102 PolarHBondContact O-N 2.88Å; L100-R102 PolarHBondContact O-N 3.37Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 2.84Å; R102-F105 PolarHBondContact O-N 3.14Å; R102-S106 PolarHBondContact O-N 3.43Å; R102-S106 VanDerWaalsContact O-N 3.14Å; R102-S106 PolarHBondContact O-OG 2.96Å |
| 103 | S | 90 | Very high | 88.4 | Confident | 26 Ų | 26 | 74.1 Ų | 74.1 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | -177.4 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | E99 L100 L107 | E99-S103 WeakPolarHBondContact O-CB 3.47Å; E99-S103 PolarHBondContact O-N 2.98Å; E99-S103 PolarHBondContact O-OG 3.38Å; L100-S103 PolarHBondContact O-N 3.31Å; S103-L107 PolarHBondContact O-N 3.46Å |
| 104 | L | 89.3 | Confident | 88.1 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.9 | -33.3 | 176.9 | -73.1 | 170.5 | 0 | 0 | 0 | 113.9 | L92 L100 R102 L107 I141 I145 | L92-L104 HydrophobicContact CD1-CD2 4.37Å; L92-L104 HydrophobicContact CD2-CD2 3.51Å; L92-L104 HydrophobicContact CD2-CG 3.74Å; L100-L104 HydrophobicContact CD1-CD1 3.84Å; L100-L104 HydrophobicContact CD1-CG 4.14Å; L100-L104 HydrophobicContact CG-CD1 3.89Å; L100-L104 WeakPolarHBondContact O-CB 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 2.69Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 2.84Å; L104-L107 HydrophobicContact CD2-CD2 4.04Å; L104-L107 WeakPolarHBondContact O-CB 3.41Å; L104-L107 PolarHBondContact O-N 2.66Å; L104-I141 HydrophobicContact CD1-CB 4.47Å; L104-I141 HydrophobicContact CD1-CG2 3.6Å; L104-I145 HydrophobicContact CD1-CD1 4.08Å; L104-I145 HydrophobicContact CD1-CG1 3.88Å; L104-I145 HydrophobicContact CD2-CD1 4.45Å; L104-I145 HydrophobicContact CD2-CG1 3.67Å; L104-I145 HydrophobicContact CG-CG1 4.39Å |
| 105 | F | 87.9 | Confident | 87.9 | Confident | 137 Ų | 137 | 70.1 Ų | 70.1 | 60% | 0.601 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | 174.2 | -178.6 | -89.3 | 0 | 0 | 0 | 111 | K101 R102 L107 Y144 | K101-F105 VanDerWaalsContact O-CB 3.28Å; K101-F105 WeakPolarHBondContact O-CB 3.23Å; K101-F105 PolarHBondContact O-N 2.98Å; K101-F105 VanDerWaalsContact O-N 3.08Å; R102-F105 PolarHBondContact O-N 3.14Å; F105-L107 PolarHBondContact O-N 3.18Å; F105-Y144 HydrophobicContact CD2-CD1 4.25Å; F105-Y144 AromaticContact CD2-CE1 3.73Å; F105-Y144 HydrophobicContact CD2-CE1 3.73Å; F105-Y144 HydrophobicContact CE2-CE1 4.44Å |
| 106 | S | 88.6 | Confident | 87.6 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69 | -17.4 | 177.1 | -56.2 | 0 | 0 | 0 | 0 | 114.1 | R102 K108 Q109 I110 | R102-S106 PolarHBondContact O-N 3.43Å; R102-S106 VanDerWaalsContact O-N 3.14Å; R102-S106 PolarHBondContact O-OG 2.96Å; S106-K108 PolarHBondContact O-N 2.89Å; S106-Q109 WeakPolarHBondContact O-CB 3.38Å; S106-Q109 PolarHBondContact O-N 3.15Å; S106-I110 WeakPolarHBondContact O-CG1 3.24Å; S106-I110 PolarHBondContact O-N 3.4Å |
| 107 | L | 90.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.4 | -32.4 | -170.7 | -169.2 | 64.9 | 0 | 0 | 0 | 113.5 | I88 L92 S103 L104 F105 Q109 F111 L130 A148 | I88-L107 HydrophobicContact CG2-CD1 3.75Å; L92-L107 HydrophobicContact CD1-CD1 4.45Å; L92-L107 HydrophobicContact CD1-CD2 3.83Å; S103-L107 PolarHBondContact O-N 3.46Å; L104-L107 HydrophobicContact CD2-CD2 4.04Å; L104-L107 WeakPolarHBondContact O-CB 3.41Å; L104-L107 PolarHBondContact O-N 2.66Å; F105-L107 PolarHBondContact O-N 3.18Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-F111 HydrophobicContact CD1-CD2 4.24Å; L107-F111 HydrophobicContact CD1-CE2 3.54Å; L107-F111 HydrophobicContact CD1-CZ 3.9Å; L107-F111 HydrophobicContact CD2-CE2 4.15Å; L107-F111 HydrophobicContact CG-CD2 4.11Å; L107-F111 HydrophobicContact CG-CE2 3.6Å; L107-F111 HydrophobicContact CG-CZ 4.43Å; L107-F111 VanDerWaalsContact O-CD2 3.23Å; L107-F111 WeakPolarHBondContact O-CD2 3.44Å; L107-F111 PolarHBondContact O-N 3.27Å; L107-L130 HydrophobicContact CD2-CD2 3.86Å; L107-A148 HydrophobicContact CB-CB 4.07Å; L107-A148 HydrophobicContact CD2-CB 3.82Å; L107-A148 HydrophobicContact CG-CB 3.92Å |
| 108 | K | 91.1 | Very high | 88 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 170.3 | 176.7 | 176.3 | -179 | -176.1 | 0 | 110.4 | S106 F111 Q112 Q151 Q1423 D1424 | S106-K108 PolarHBondContact O-N 2.89Å; K108-F111 PolarHBondContact O-N 3.09Å; K108-Q112 WeakPolarHBondContact O-CB 3.47Å; K108-Q112 PolarHBondContact O-N 2.84Å; K108-Q151 HydrophobicContact CG-CB 4.14Å; K108-Q151 HydrophobicContact CG-CG 4.36Å; K108-Q1423 PolarHBondContact NZ-O 3.22Å; K108-D1424 IonicContact NZ-OD1 3.46Å; K108-D1424 PolarHBondContact NZ-OD1 3.38Å |
| 109 | Q | 88.9 | Confident | 88 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | -177.2 | -163.6 | 65.1 | 46.5 | 0 | 0 | 111.5 | S106 L107 F111 Q112 D113 | S106-Q109 WeakPolarHBondContact O-CB 3.38Å; S106-Q109 PolarHBondContact O-N 3.15Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; Q109-F111 VanDerWaalsContact C-N 3.31Å; Q109-F111 PolarHBondContact O-N 3.03Å; Q109-Q112 WeakPolarHBondContact O-CA 3.41Å; Q109-Q112 WeakPolarHBondContact O-CB 3.4Å; Q109-Q112 PolarHBondContact O-N 2.93Å; Q109-D113 WeakPolarHBondContact CG-OD2 3.39Å; Q109-D113 PolarHBondContact NE2-OD1 3.14Å; Q109-D113 VanDerWaalsContact O-CG 3.28Å; Q109-D113 PolarHBondContact O-N 3.46Å |
| 110 | I | 88.3 | Confident | 88.1 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 179.2 | -68.9 | 166.3 | 0 | 0 | 0 | 112.2 | I88 S106 Q112 D114 L117 | I88-I110 HydrophobicContact CD1-CG2 3.95Å; S106-I110 WeakPolarHBondContact O-CG1 3.24Å; S106-I110 PolarHBondContact O-N 3.4Å; I110-Q112 VanDerWaalsContact C-N 3.35Å; I110-D114 PolarHBondContact O-N 3.04Å; I110-D114 VanDerWaalsContact O-N 3.14Å; I110-L117 HydrophobicContact CG2-CD1 3.55Å |
| 111 | F | 89.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -78.7 | -16.6 | 176.1 | -65.9 | -51.3 | 0 | 0 | 0 | 114.1 | L107 K108 Q109 L117 V118 F121 Q151 I152 Y155 | L107-F111 HydrophobicContact CD1-CD2 4.24Å; L107-F111 HydrophobicContact CD1-CE2 3.54Å; L107-F111 HydrophobicContact CD1-CZ 3.9Å; L107-F111 HydrophobicContact CD2-CE2 4.15Å; L107-F111 HydrophobicContact CG-CD2 4.11Å; L107-F111 HydrophobicContact CG-CE2 3.6Å; L107-F111 HydrophobicContact CG-CZ 4.43Å; L107-F111 VanDerWaalsContact O-CD2 3.23Å; L107-F111 WeakPolarHBondContact O-CD2 3.44Å; L107-F111 PolarHBondContact O-N 3.27Å; K108-F111 PolarHBondContact O-N 3.09Å; Q109-F111 VanDerWaalsContact C-N 3.31Å; Q109-F111 PolarHBondContact O-N 3.03Å; F111-L117 HydrophobicContact CD1-CB 4.08Å; F111-L117 HydrophobicContact CE1-CB 4.12Å; F111-V118 HydrophobicContact CB-CG2 3.94Å; F111-V118 HydrophobicContact CD1-CG2 3.72Å; F111-V118 HydrophobicContact CG-CG2 4.07Å; F111-F121 HydrophobicContact CE1-CB 3.84Å; F111-F121 HydrophobicContact CE1-CD1 4.34Å; F111-F121 HydrophobicContact CE1-CD2 4.24Å; F111-F121 AromaticContact CE1-CG 3.9Å; F111-F121 HydrophobicContact CE1-CG 3.9Å; F111-F121 HydrophobicContact CE2-CD1 4.35Å; F111-F121 HydrophobicContact CE2-CE1 4.36Å; F111-F121 HydrophobicContact CZ-CB 3.97Å; F111-F121 AromaticContact CZ-CD1 3.66Å; F111-F121 HydrophobicContact CZ-CD1 3.66Å; F111-F121 AromaticContact CZ-CD2 3.67Å; F111-F121 HydrophobicContact CZ-CD2 3.67Å; F111-F121 AromaticContact CZ-CE1 3.98Å; F111-F121 HydrophobicContact CZ-CE1 3.98Å; F111-F121 AromaticContact CZ-CE2 4Å; F111-F121 HydrophobicContact CZ-CE2 4Å; F111-F121 AromaticContact CZ-CG 3.48Å; F111-F121 HydrophobicContact CZ-CG 3.48Å; F111-F121 VanDerWaalsContact CZ-CG 3.48Å; F111-F121 HydrophobicContact CZ-CZ 4.14Å; F111-Q151 HydrophobicContact CB-CG 4.12Å; F111-I152 HydrophobicContact CD2-CD1 4.13Å; F111-I152 HydrophobicContact CD2-CG1 3.84Å; F111-I152 HydrophobicContact CE2-CD1 3.73Å; F111-I152 HydrophobicContact CE2-CG1 3.96Å; F111-I152 HydrophobicContact CG-CG1 4.34Å; F111-I152 HydrophobicContact CZ-CD1 4.26Å; F111-Y155 WeakPolarHBondContact O-CE2 3.16Å; F111-Y155 PolarHBondContact O-OH 2.69Å; F111-Y155 VanDerWaalsContact O-OH 3.06Å |
| 112 | Q | 87.1 | Confident | 88.4 | Confident | 95 Ų | 95 | 49.2 Ų | 49.2 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -82.6 | -41.7 | 174.9 | -175.1 | 172.5 | -20.7 | 0 | 0 | 111.4 | K108 Q109 I110 Q151 | K108-Q112 WeakPolarHBondContact O-CB 3.47Å; K108-Q112 PolarHBondContact O-N 2.84Å; Q109-Q112 WeakPolarHBondContact O-CA 3.41Å; Q109-Q112 WeakPolarHBondContact O-CB 3.4Å; Q109-Q112 PolarHBondContact O-N 2.93Å; I110-Q112 VanDerWaalsContact C-N 3.35Å; Q112-Q151 HydrophobicContact CB-CG 4.43Å |
| 113 | D | 83.5 | Confident | 88.4 | Confident | 118 Ų | 118 | 44.3 Ų | 44.3 | 63% | 0.631 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -73.9 | -38 | 178.8 | -59.8 | -18.7 | 0 | 0 | 0 | 112 | Q109 | Q109-D113 WeakPolarHBondContact CG-OD2 3.39Å; Q109-D113 PolarHBondContact NE2-OD1 3.14Å; Q109-D113 VanDerWaalsContact O-CG 3.28Å; Q109-D113 PolarHBondContact O-N 3.46Å |
| 114 | D | 84.3 | Confident | 88.4 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 8% | 0.08 | 23% | 0.232 | C | C | . | . | trans | -128.9 | 78 | -178.4 | -165 | -23.5 | 0 | 0 | 0 | 111.3 | Y51 R84 I110 D116 L117 | Y51-D114 PolarHBondContact OH-OD2 3.18Å; Y51-D114 VanDerWaalsContact OH-OD2 3.12Å; R84-D114 IonicContact CZ-OD2 2.65Å; R84-D114 IonicContact NH1-OD2 3.29Å; R84-D114 PolarHBondContact NH1-OD2 2.96Å; R84-D114 IonicContact NH2-OD2 3.85Å; R84-D114 PolarHBondContact NH2-OD2 3.05Å; I110-D114 PolarHBondContact O-N 3.04Å; I110-D114 VanDerWaalsContact O-N 3.14Å; D114-D116 PolarHBondContact O-N 2.68Å; D114-D116 VanDerWaalsContact O-N 3.09Å; D114-D116 PolarHBondContact OD1-N 3.42Å; D114-L117 HydrophobicContact CB-CD1 3.85Å; D114-L117 HydrophobicContact CB-CG 4.07Å; D114-L117 WeakPolarHBondContact O-CB 3.27Å; D114-L117 PolarHBondContact O-N 2.6Å | ||
| 115 | K | 84.6 | Confident | 88.4 | Confident | 104 Ų | 104 | 49.4 Ų | 49.4 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -25.9 | 176.9 | 68.2 | -159.8 | -169.1 | -171.4 | 0 | 114.2 | L117 V118 Y155 G1319 | K115-L117 VanDerWaalsContact C-N 3.29Å; K115-L117 PolarHBondContact O-N 3.17Å; K115-V118 WeakPolarHBondContact O-CB 3.26Å; K115-V118 WeakPolarHBondContact O-CG2 3.39Å; K115-V118 PolarHBondContact O-N 3.43Å; K115-Y155 HydrophobicContact CB-CD1 4.29Å; K115-Y155 HydrophobicContact CB-CE1 3.63Å; K115-G1319 WeakPolarHBondContact CD-O 3.42Å |
| 116 | D | 82.9 | Confident | 88.7 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.8 | -18.4 | 179.8 | -86.4 | -53.4 | 0 | 0 | 0 | 113.1 | Y51 L81 D114 V118 R1318 | Y51-D116 HydrophobicContact CD2-CB 4Å; Y51-D116 HydrophobicContact CE2-CB 3.83Å; L81-D116 HydrophobicContact CD1-CB 3.8Å; L81-D116 HydrophobicContact CD2-CB 4.15Å; D114-D116 PolarHBondContact O-N 2.68Å; D114-D116 VanDerWaalsContact O-N 3.09Å; D114-D116 PolarHBondContact OD1-N 3.42Å; D116-V118 VanDerWaalsContact C-N 3.28Å; D116-V118 PolarHBondContact O-N 2.89Å; D116-R1318 PolarHBondContact O-NH2 2.78Å; D116-R1318 WeakPolarHBondContact OD1-CD 3.15Å; D116-R1318 VanDerWaalsContact OD1-CG 3.23Å; D116-R1318 WeakPolarHBondContact OD1-CG 3.21Å; D116-R1318 IonicContact OD1-CZ 3.84Å; D116-R1318 IonicContact OD1-NE 3.3Å; D116-R1318 PolarHBondContact OD1-NE 2.84Å |
| 117 | L | 89.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.4 | -27.2 | 171.1 | -67.9 | 172 | 0 | 0 | 0 | 112.7 | L81 R84 V85 I88 I110 F111 D114 K115 H119 E120 F121 | L81-L117 HydrophobicContact CB-CD2 4.4Å; L81-L117 HydrophobicContact CD2-CD2 3.54Å; L81-L117 HydrophobicContact CD2-CG 3.97Å; R84-L117 HydrophobicContact CB-CD2 3.87Å; V85-L117 HydrophobicContact CG2-CB 4.3Å; V85-L117 HydrophobicContact CG2-CD2 3.9Å; I88-L117 HydrophobicContact CD1-CD1 4.36Å; I110-L117 HydrophobicContact CG2-CD1 3.55Å; F111-L117 HydrophobicContact CD1-CB 4.08Å; F111-L117 HydrophobicContact CE1-CB 4.12Å; D114-L117 HydrophobicContact CB-CD1 3.85Å; D114-L117 HydrophobicContact CB-CG 4.07Å; D114-L117 WeakPolarHBondContact O-CB 3.27Å; D114-L117 PolarHBondContact O-N 2.6Å; K115-L117 VanDerWaalsContact C-N 3.29Å; K115-L117 PolarHBondContact O-N 3.17Å; L117-H119 PolarHBondContact O-N 3.35Å; L117-E120 PolarHBondContact O-N 2.91Å; L117-F121 WeakPolarHBondContact O-CB 3.34Å; L117-F121 PolarHBondContact O-N 2.81Å |
| 118 | V | 90.7 | Very high | 89 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | -172.1 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | F111 K115 D116 E120 F121 V122 I152 Y155 | F111-V118 HydrophobicContact CB-CG2 3.94Å; F111-V118 HydrophobicContact CD1-CG2 3.72Å; F111-V118 HydrophobicContact CG-CG2 4.07Å; K115-V118 WeakPolarHBondContact O-CB 3.26Å; K115-V118 WeakPolarHBondContact O-CG2 3.39Å; K115-V118 PolarHBondContact O-N 3.43Å; D116-V118 VanDerWaalsContact C-N 3.28Å; D116-V118 PolarHBondContact O-N 2.89Å; V118-E120 PolarHBondContact O-N 3.5Å; V118-F121 PolarHBondContact O-N 3.02Å; V118-V122 WeakPolarHBondContact O-CG2 3.5Å; V118-V122 PolarHBondContact O-N 3.32Å; V118-I152 HydrophobicContact CG1-CB 4.48Å; V118-I152 HydrophobicContact CG1-CG1 4.46Å; V118-I152 HydrophobicContact CG1-CG2 4.06Å; V118-Y155 HydrophobicContact CB-CD2 4.44Å; V118-Y155 HydrophobicContact CG1-CD2 4.28Å; V118-Y155 HydrophobicContact CG2-CD2 3.74Å; V118-Y155 HydrophobicContact CG2-CE2 3.98Å; V118-Y155 HydrophobicContact CG2-CG 4.38Å |
| 119 | H | 87.2 | Confident | 89.1 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 19% | 0.19 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.7 | -175.9 | 87.2 | 0 | 0 | 0 | 112.8 | L117 T123 D157 R1318 | L117-H119 PolarHBondContact O-N 3.35Å; H119-T123 WeakPolarHBondContact O-CB 3.42Å; H119-T123 PolarHBondContact O-N 2.88Å; H119-T123 PolarHBondContact O-OG1 3.35Å; H119-D157 HydrophobicContact CB-CB 3.95Å; H119-D157 IonicContact CE1-OD1 3.31Å; H119-D157 IonicContact CG-OD1 3.08Å; H119-D157 IonicContact ND1-OD1 3.6Å; H119-D157 PolarHBondContact ND1-OD1 3.27Å; H119-R1318 HydrophobicContact CB-CG 4.4Å |
| 120 | E | 88.6 | Confident | 89.4 | Confident | 27 Ų | 27 | 37.5 Ų | 37.5 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.7 | -36.3 | 177 | -57.6 | -49.6 | 143.7 | 0 | 0 | 111.8 | L81 V82 V85 L117 V118 T123 H124 R1318 | L81-E120 HydrophobicContact CB-CG 3.67Å; V82-E120 HydrophobicContact CG2-CG 4.37Å; V82-E120 WeakPolarHBondContact CG2-OE2 3.33Å; V85-E120 HydrophobicContact CB-CB 4.27Å; V85-E120 HydrophobicContact CG1-CB 4.5Å; V85-E120 HydrophobicContact CG2-CB 3.8Å; L117-E120 PolarHBondContact O-N 2.91Å; V118-E120 PolarHBondContact O-N 3.5Å; E120-T123 PolarHBondContact O-N 3.36Å; E120-H124 WeakPolarHBondContact O-CB 3.3Å; E120-H124 PolarHBondContact O-N 2.97Å; E120-R1318 IonicContact OE1-CZ 3.97Å; E120-R1318 VanDerWaalsContact OE1-CZ 3.24Å; E120-R1318 IonicContact OE1-NH1 3.18Å; E120-R1318 PolarHBondContact OE1-NH1 3.45Å; E120-R1318 IonicContact OE1-NH2 2.72Å; E120-R1318 PolarHBondContact OE1-NH2 3.41Å |
| 121 | F | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67 | -37.7 | 179.2 | -173.1 | -97.3 | 0 | 0 | 0 | 112.2 | V85 I88 I89 F111 L117 V118 G126 L127 L130 I152 | V85-F121 HydrophobicContact CG1-CB 4.25Å; V85-F121 HydrophobicContact CG1-CD2 4.2Å; V85-F121 HydrophobicContact CG2-CB 4.05Å; I88-F121 HydrophobicContact CG2-CE2 4.07Å; I89-F121 HydrophobicContact CD1-CD2 4.25Å; I89-F121 HydrophobicContact CD1-CE2 4.33Å; I89-F121 HydrophobicContact CG1-CD2 4.03Å; I89-F121 HydrophobicContact CG1-CE2 3.71Å; F111-F121 HydrophobicContact CE1-CB 3.84Å; F111-F121 HydrophobicContact CE1-CD1 4.34Å; F111-F121 HydrophobicContact CE1-CD2 4.24Å; F111-F121 AromaticContact CE1-CG 3.9Å; F111-F121 HydrophobicContact CE1-CG 3.9Å; F111-F121 HydrophobicContact CE2-CD1 4.35Å; F111-F121 HydrophobicContact CE2-CE1 4.36Å; F111-F121 HydrophobicContact CZ-CB 3.97Å; F111-F121 AromaticContact CZ-CD1 3.66Å; F111-F121 HydrophobicContact CZ-CD1 3.66Å; F111-F121 AromaticContact CZ-CD2 3.67Å; F111-F121 HydrophobicContact CZ-CD2 3.67Å; F111-F121 AromaticContact CZ-CE1 3.98Å; F111-F121 HydrophobicContact CZ-CE1 3.98Å; F111-F121 AromaticContact CZ-CE2 4Å; F111-F121 HydrophobicContact CZ-CE2 4Å; F111-F121 AromaticContact CZ-CG 3.48Å; F111-F121 HydrophobicContact CZ-CG 3.48Å; F111-F121 VanDerWaalsContact CZ-CG 3.48Å; F111-F121 HydrophobicContact CZ-CZ 4.14Å; L117-F121 WeakPolarHBondContact O-CB 3.34Å; L117-F121 PolarHBondContact O-N 2.81Å; V118-F121 PolarHBondContact O-N 3.02Å; F121-G126 WeakPolarHBondContact CE1-O 3.12Å; F121-G126 VanDerWaalsContact CZ-C 3.47Å; F121-G126 VanDerWaalsContact CZ-CA 3.47Å; F121-G126 VanDerWaalsContact CZ-O 3.29Å; F121-G126 WeakPolarHBondContact CZ-O 3.38Å; F121-G126 VanDerWaalsContact O-CA 3.27Å; F121-G126 WeakPolarHBondContact O-CA 3.33Å; F121-G126 PolarHBondContact O-N 3.29Å; F121-L127 HydrophobicContact CD1-CD2 4.41Å; F121-L127 HydrophobicContact CE1-CD2 4.35Å; F121-L130 HydrophobicContact CE1-CD1 3.89Å; F121-L130 HydrophobicContact CE1-CG 4.04Å; F121-L130 HydrophobicContact CZ-CD1 4.25Å; F121-L130 HydrophobicContact CZ-CD2 4.19Å; F121-L130 HydrophobicContact CZ-CG 3.96Å; F121-I152 HydrophobicContact CD1-CD1 3.85Å; F121-I152 HydrophobicContact CE1-CD1 3.79Å |
| 122 | V | 91 | Very high | 89.8 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 16% | 0.164 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -54.8 | 166.3 | 171 | 0 | 0 | 0 | 0 | 110.3 | V118 H124 S125 L127 | V118-V122 WeakPolarHBondContact O-CG2 3.5Å; V118-V122 PolarHBondContact O-N 3.32Å; V122-H124 VanDerWaalsContact C-N 3.27Å; V122-H124 PolarHBondContact O-N 3.23Å; V122-S125 PolarHBondContact O-N 3.1Å; V122-L127 HydrophobicContact CB-CD1 4.48Å; V122-L127 HydrophobicContact CG1-CD1 4.27Å; V122-L127 HydrophobicContact CG2-CD1 4.14Å |
| 123 | T | 88.6 | Confident | 90 | Very high | 80 Ų | 80 | 35.1 Ų | 35.1 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.3 | -28.4 | -171.3 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | H119 E120 | H119-T123 WeakPolarHBondContact O-CB 3.42Å; H119-T123 PolarHBondContact O-N 2.88Å; H119-T123 PolarHBondContact O-OG1 3.35Å; E120-T123 PolarHBondContact O-N 3.36Å |
| 124 | H | 90.5 | Very high | 90.4 | Very high | 70 Ų | 70 | 29.5 Ų | 29.5 | 32% | 0.324 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 30 | 180 | -72.6 | -55.2 | 0 | 0 | 0 | 114.5 | V82 V85 I89 E120 V122 G126 | V82-H124 WeakPolarHBondContact CG1-NE2 3.42Å; V85-H124 HydrophobicContact CG1-CB 4.08Å; I89-H124 HydrophobicContact CD1-CB 4.3Å; I89-H124 WeakPolarHBondContact CD1-O 3.43Å; E120-H124 WeakPolarHBondContact O-CB 3.3Å; E120-H124 PolarHBondContact O-N 2.97Å; V122-H124 VanDerWaalsContact C-N 3.27Å; V122-H124 PolarHBondContact O-N 3.23Å; H124-G126 PolarHBondContact O-N 3.33Å |
| 125 | S | 89.8 | Confident | 90.7 | Very high | 65 Ų | 65 | 32.1 Ų | 32.1 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 25 | 175.9 | -72.2 | 0 | 0 | 0 | 0 | 114.8 | V122 L127 D128 C129 | V122-S125 PolarHBondContact O-N 3.1Å; S125-L127 PolarHBondContact O-N 3.42Å; S125-D128 WeakPolarHBondContact O-CB 3.5Å; S125-D128 PolarHBondContact O-N 2.94Å; S125-D128 VanDerWaalsContact O-N 3.08Å; S125-D128 PolarHBondContact OG-OD2 2.95Å; S125-C129 PolarHBondContact O-N 2.9Å; S125-C129 VanDerWaalsContact O-N 3.16Å |
| 126 | G | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -28.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F121 H124 C129 L130 | F121-G126 WeakPolarHBondContact CE1-O 3.12Å; F121-G126 VanDerWaalsContact CZ-C 3.47Å; F121-G126 VanDerWaalsContact CZ-CA 3.47Å; F121-G126 VanDerWaalsContact CZ-O 3.29Å; F121-G126 WeakPolarHBondContact CZ-O 3.38Å; F121-G126 VanDerWaalsContact O-CA 3.27Å; F121-G126 WeakPolarHBondContact O-CA 3.33Å; F121-G126 PolarHBondContact O-N 3.29Å; H124-G126 PolarHBondContact O-N 3.33Å; G126-C129 VanDerWaalsContact O-CB 3.3Å; G126-C129 WeakPolarHBondContact O-CB 3.38Å; G126-C129 PolarHBondContact O-N 2.82Å; G126-L130 WeakPolarHBondContact O-CG 3.38Å; G126-L130 PolarHBondContact O-N 2.92Å |
| 127 | L | 94.3 | Very high | 91 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 173.5 | -54.7 | 179.2 | 0 | 0 | 0 | 113 | F121 V122 S125 C129 L130 V131 I152 H165 I168 | F121-L127 HydrophobicContact CD1-CD2 4.41Å; F121-L127 HydrophobicContact CE1-CD2 4.35Å; V122-L127 HydrophobicContact CB-CD1 4.48Å; V122-L127 HydrophobicContact CG1-CD1 4.27Å; V122-L127 HydrophobicContact CG2-CD1 4.14Å; S125-L127 PolarHBondContact O-N 3.42Å; L127-C129 VanDerWaalsContact C-N 3.32Å; L127-L130 PolarHBondContact O-N 2.65Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.89Å; L127-V131 VanDerWaalsContact O-N 3.08Å; L127-I152 HydrophobicContact CD2-CD1 4.25Å; L127-I152 HydrophobicContact CD2-CG2 4.34Å; L127-H165 HydrophobicContact CD1-CB 4.21Å; L127-I168 HydrophobicContact CB-CD1 3.64Å; L127-I168 HydrophobicContact CB-CG1 4.25Å; L127-I168 HydrophobicContact CD1-CD1 3.53Å; L127-I168 HydrophobicContact CD2-CD1 4.16Å; L127-I168 HydrophobicContact CG-CD1 3.95Å |
| 128 | D | 92.3 | Very high | 91 | Very high | 59 Ų | 59 | 39.9 Ų | 39.9 | 32% | 0.316 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.2 | -37.2 | 171.9 | -70.2 | -72.1 | 0 | 0 | 0 | 111.4 | S125 V131 N132 H165 | S125-D128 WeakPolarHBondContact O-CB 3.5Å; S125-D128 PolarHBondContact O-N 2.94Å; S125-D128 VanDerWaalsContact O-N 3.08Å; S125-D128 PolarHBondContact OG-OD2 2.95Å; D128-V131 PolarHBondContact O-N 3.45Å; D128-N132 VanDerWaalsContact O-CB 3.24Å; D128-N132 WeakPolarHBondContact O-CB 3.49Å; D128-N132 PolarHBondContact O-N 2.99Å; D128-H165 VanDerWaalsContact CG-CE1 3.5Å; D128-H165 IonicContact OD1-CE1 3.49Å; D128-H165 PolarHBondContact OD1-CE1 3.21Å; D128-H165 IonicContact OD1-NE2 3.15Å; D128-H165 PolarHBondContact OD1-NE2 3.19Å; D128-H165 IonicContact OD2-CD2 3.77Å; D128-H165 IonicContact OD2-CE1 2.71Å; D128-H165 IonicContact OD2-NE2 3.37Å; D128-H165 PolarHBondContact OD2-NE2 3.48Å |
| 129 | C | 93.8 | Very high | 91 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -51.3 | 173.1 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | I89 S125 G126 L127 V131 N132 V133 | I89-C129 HydrophobicContact CG2-CB 4.1Å; S125-C129 PolarHBondContact O-N 2.9Å; S125-C129 VanDerWaalsContact O-N 3.16Å; G126-C129 VanDerWaalsContact O-CB 3.3Å; G126-C129 WeakPolarHBondContact O-CB 3.38Å; G126-C129 PolarHBondContact O-N 2.82Å; L127-C129 VanDerWaalsContact C-N 3.32Å; C129-V131 PolarHBondContact O-N 3.27Å; C129-N132 PolarHBondContact O-N 3.4Å; C129-V133 WeakPolarHBondContact O-CG2 3.45Å; C129-V133 PolarHBondContact O-N 2.92Å |
| 130 | L | 94.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 177.4 | -66.3 | -172.5 | 0 | 0 | 0 | 112.6 | L92 L107 F121 G126 L127 G134 I145 I152 | L92-L130 HydrophobicContact CD1-CD2 4.37Å; L107-L130 HydrophobicContact CD2-CD2 3.86Å; F121-L130 HydrophobicContact CE1-CD1 3.89Å; F121-L130 HydrophobicContact CE1-CG 4.04Å; F121-L130 HydrophobicContact CZ-CD1 4.25Å; F121-L130 HydrophobicContact CZ-CD2 4.19Å; F121-L130 HydrophobicContact CZ-CG 3.96Å; G126-L130 WeakPolarHBondContact O-CG 3.38Å; G126-L130 PolarHBondContact O-N 2.92Å; L127-L130 PolarHBondContact O-N 2.65Å; L130-G134 PolarHBondContact O-N 3.41Å; L130-I145 HydrophobicContact CB-CG2 3.92Å; L130-I145 HydrophobicContact CD2-CG2 4.21Å; L130-I145 HydrophobicContact CG-CG2 4.42Å; L130-I152 HydrophobicContact CD1-CD1 4Å |
| 131 | V | 93.7 | Very high | 91.3 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 177.6 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | L127 D128 C129 S135 I168 W171 | L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.89Å; L127-V131 VanDerWaalsContact O-N 3.08Å; D128-V131 PolarHBondContact O-N 3.45Å; C129-V131 PolarHBondContact O-N 3.27Å; V131-S135 VanDerWaalsContact O-CB 3.23Å; V131-S135 WeakPolarHBondContact O-CB 3.47Å; V131-S135 PolarHBondContact O-N 2.93Å; V131-S135 PolarHBondContact O-OG 3.44Å; V131-I168 HydrophobicContact CG2-CB 4.43Å; V131-I168 HydrophobicContact CG2-CG1 3.95Å; V131-W171 HydrophobicContact CG1-CB 3.94Å; V131-W171 HydrophobicContact CG1-CG 4.05Å; V131-W171 HydrophobicContact CG2-CB 4.13Å; V131-W171 HydrophobicContact CG2-CD2 4.35Å; V131-W171 HydrophobicContact CG2-CE3 4.23Å; V131-W171 HydrophobicContact CG2-CG 4.32Å |
| 132 | N | 92.5 | Very high | 91.3 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.7 | -42.5 | -178.4 | -179.5 | 41.7 | 0 | 0 | 0 | 112.6 | D128 C129 R136 | D128-N132 VanDerWaalsContact O-CB 3.24Å; D128-N132 WeakPolarHBondContact O-CB 3.49Å; D128-N132 PolarHBondContact O-N 2.99Å; C129-N132 PolarHBondContact O-N 3.4Å; N132-R136 WeakPolarHBondContact O-CG 3.49Å; N132-R136 VanDerWaalsContact OD1-CZ 3.28Å; N132-R136 PolarHBondContact OD1-NE 3.19Å; N132-R136 PolarHBondContact OD1-NH2 2.96Å |
| 133 | V | 92.2 | Very high | 91.3 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.3 | -49.7 | 174.8 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | L92 L93 L100 C129 S135 R136 S137 I141 I145 | L92-V133 WeakPolarHBondContact O-CG2 3.33Å; L93-V133 HydrophobicContact CD2-CG2 4.39Å; L100-V133 HydrophobicContact CD1-CG1 4.29Å; L100-V133 HydrophobicContact CD2-CG1 4.07Å; C129-V133 WeakPolarHBondContact O-CG2 3.45Å; C129-V133 PolarHBondContact O-N 2.92Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-S135 PolarHBondContact O-N 3.28Å; V133-R136 PolarHBondContact O-N 3.14Å; V133-R136 VanDerWaalsContact O-N 3.15Å; V133-S137 WeakPolarHBondContact O-CB 3.25Å; V133-S137 PolarHBondContact O-OG 3.17Å; V133-I141 HydrophobicContact CG1-CG2 4.4Å; V133-I145 HydrophobicContact CB-CD1 4.24Å; V133-I145 HydrophobicContact CG1-CD1 3.93Å |
| 134 | G | 91.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.6 | -34.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L130 R136 S137 Q142 I145 | L130-G134 PolarHBondContact O-N 3.41Å; G134-R136 PolarHBondContact O-N 2.82Å; G134-S137 PolarHBondContact O-N 2.87Å; G134-Q142 WeakPolarHBondContact O-CG 3.36Å; G134-Q142 PolarHBondContact O-NE2 3.17Å; G134-I145 VanDerWaalsContact CA-CD1 3.48Å |
| 135 | S | 90.5 | Very high | 91.8 | Very high | 70 Ų | 70 | 38.7 Ų | 38.7 | 49% | 0.49 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.2 | 177.1 | -62.3 | 0 | 0 | 0 | 0 | 114.6 | V131 V133 W171 | V131-S135 VanDerWaalsContact O-CB 3.23Å; V131-S135 WeakPolarHBondContact O-CB 3.47Å; V131-S135 PolarHBondContact O-N 2.93Å; V131-S135 PolarHBondContact O-OG 3.44Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-S135 PolarHBondContact O-N 3.28Å; S135-W171 PolarHBondContact OG-NE1 3.4Å |
| 136 | R | 85.1 | Confident | 92 | Very high | 200 Ų | 200 | 35.7 Ų | 35.7 | 76% | 0.755 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 1.4 | -175.8 | -57.1 | 178.2 | -164.6 | -141.9 | 3.2 | 113.9 | N132 V133 G134 | N132-R136 WeakPolarHBondContact O-CG 3.49Å; N132-R136 VanDerWaalsContact OD1-CZ 3.28Å; N132-R136 PolarHBondContact OD1-NE 3.19Å; N132-R136 PolarHBondContact OD1-NH2 2.96Å; V133-R136 PolarHBondContact O-N 3.14Å; V133-R136 VanDerWaalsContact O-N 3.15Å; G134-R136 PolarHBondContact O-N 2.82Å |
| 137 | S | 89.2 | Confident | 92 | Very high | 31 Ų | 31 | 38 Ų | 38 | 22% | 0.217 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -111.1 | 166.6 | -159.2 | -71.9 | 0 | 0 | 0 | 0 | 115 | V133 G134 I141 Q142 | V133-S137 WeakPolarHBondContact O-CB 3.25Å; V133-S137 PolarHBondContact O-OG 3.17Å; G134-S137 PolarHBondContact O-N 2.87Å; S137-I141 VanDerWaalsContact OG-CG2 3.29Å; S137-I141 WeakPolarHBondContact OG-CG2 3.34Å; S137-Q142 PolarHBondContact O-NE2 3.08Å |
| 138 | D | 89.7 | Confident | 91.9 | Very high | 53 Ų | 53 | 37.9 Ų | 37.9 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | trans | -71.1 | 164.6 | 172.1 | 86.3 | -17.5 | 0 | 0 | 0 | 112.4 | K101 N140 I141 Q142 | K101-D138 WeakPolarHBondContact CE-OD1 3.27Å; K101-D138 WeakPolarHBondContact CE-OD2 3.12Å; K101-D138 IonicContact NZ-OD1 2.7Å; K101-D138 IonicContact NZ-OD2 2.69Å; K101-D138 PolarHBondContact NZ-OD2 3.11Å; D138-N140 PolarHBondContact O-N 3.1Å; D138-N140 VanDerWaalsContact O-N 3.14Å; D138-N140 WeakPolarHBondContact OD1-CB 3.47Å; D138-N140 PolarHBondContact OD1-N 3.45Å; D138-N140 PolarHBondContact OD2-ND2 2.93Å; D138-I141 PolarHBondContact O-N 2.85Å; D138-I141 WeakPolarHBondContact OD1-CB 3.32Å; D138-I141 WeakPolarHBondContact OD1-CG1 3.45Å; D138-I141 PolarHBondContact OD1-N 3.14Å; D138-Q142 WeakPolarHBondContact O-CG 3.48Å; D138-Q142 PolarHBondContact O-N 2.63Å | ||
| 139 | Q | 90.7 | Very high | 92 | Very high | 62 Ų | 62 | 35.2 Ų | 35.2 | 29% | 0.29 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.2 | -25.4 | -176.5 | 71.2 | -80.6 | 15.1 | 0 | 0 | 113.7 | N143 F180 V183 | Q139-N143 WeakPolarHBondContact O-CB 3.35Å; Q139-N143 PolarHBondContact O-N 3.27Å; Q139-F180 HydrophobicContact CB-CB 3.97Å; Q139-F180 HydrophobicContact CB-CD1 4.01Å; Q139-F180 HydrophobicContact CB-CD2 3.43Å; Q139-F180 VanDerWaalsContact CB-CD2 3.43Å; Q139-F180 HydrophobicContact CB-CE1 4.37Å; Q139-F180 HydrophobicContact CB-CE2 3.83Å; Q139-F180 HydrophobicContact CB-CG 3.51Å; Q139-F180 HydrophobicContact CB-CZ 4.28Å; Q139-F180 HydrophobicContact CG-CB 4.36Å; Q139-F180 HydrophobicContact CG-CD1 3.65Å; Q139-F180 HydrophobicContact CG-CD2 4Å; Q139-F180 HydrophobicContact CG-CE1 3.84Å; Q139-F180 HydrophobicContact CG-CE2 4.15Å; Q139-F180 HydrophobicContact CG-CG 3.72Å; Q139-F180 HydrophobicContact CG-CZ 4.07Å; Q139-V183 HydrophobicContact CB-CG2 4.03Å |
| 140 | N | 89.8 | Confident | 92 | Very high | 38 Ų | 38 | 35.1 Ų | 35.1 | 20% | 0.203 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -74.1 | -46.8 | 179.4 | -51.8 | -72.4 | 0 | 0 | 0 | 110.4 | D138 N143 Y144 | D138-N140 PolarHBondContact O-N 3.1Å; D138-N140 VanDerWaalsContact O-N 3.14Å; D138-N140 WeakPolarHBondContact OD1-CB 3.47Å; D138-N140 PolarHBondContact OD1-N 3.45Å; D138-N140 PolarHBondContact OD2-ND2 2.93Å; N140-N143 PolarHBondContact O-N 2.96Å; N140-Y144 WeakPolarHBondContact O-CD2 3.49Å; N140-Y144 PolarHBondContact O-N 2.99Å; N140-Y144 VanDerWaalsContact O-N 3.09Å |
| 141 | I | 91.5 | Very high | 91.8 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 173 | -74.9 | 160.8 | 0 | 0 | 0 | 110.8 | L100 K101 L104 V133 S137 D138 N143 Y144 I145 | L100-I141 HydrophobicContact CD2-CD1 4.13Å; K101-I141 HydrophobicContact CD-CG1 4.28Å; K101-I141 HydrophobicContact CG-CD1 4.01Å; K101-I141 HydrophobicContact CG-CG1 3.6Å; L104-I141 HydrophobicContact CD1-CB 4.47Å; L104-I141 HydrophobicContact CD1-CG2 3.6Å; V133-I141 HydrophobicContact CG1-CG2 4.4Å; S137-I141 VanDerWaalsContact OG-CG2 3.29Å; S137-I141 WeakPolarHBondContact OG-CG2 3.34Å; D138-I141 PolarHBondContact O-N 2.85Å; D138-I141 WeakPolarHBondContact OD1-CB 3.32Å; D138-I141 WeakPolarHBondContact OD1-CG1 3.45Å; D138-I141 PolarHBondContact OD1-N 3.14Å; I141-N143 VanDerWaalsContact C-N 3.31Å; I141-N143 PolarHBondContact O-N 3.2Å; I141-Y144 PolarHBondContact O-N 3.25Å; I141-I145 HydrophobicContact CG2-CD1 3.77Å; I141-I145 WeakPolarHBondContact O-CG1 3.39Å; I141-I145 PolarHBondContact O-N 3.11Å |
| 142 | Q | 93.5 | Very high | 91.8 | Very high | 24 Ų | 24 | 34.6 Ų | 34.6 | 11% | 0.112 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 174.5 | -73.1 | 179.5 | -13.3 | 0 | 0 | 111.6 | G134 S137 D138 I145 L146 V183 | G134-Q142 WeakPolarHBondContact O-CG 3.36Å; G134-Q142 PolarHBondContact O-NE2 3.17Å; S137-Q142 PolarHBondContact O-NE2 3.08Å; D138-Q142 WeakPolarHBondContact O-CG 3.48Å; D138-Q142 PolarHBondContact O-N 2.63Å; Q142-I145 PolarHBondContact O-N 3.44Å; Q142-L146 VanDerWaalsContact O-CG 3.25Å; Q142-L146 WeakPolarHBondContact O-CG 3.4Å; Q142-L146 PolarHBondContact O-N 3.26Å; Q142-V183 HydrophobicContact CB-CG1 4.47Å |
| 143 | N | 91.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 8% | 0.08 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60 | -49.2 | 175.4 | -176.3 | -72.3 | 0 | 0 | 0 | 111.9 | Q139 N140 I141 I145 L146 R147 L182 | Q139-N143 WeakPolarHBondContact O-CB 3.35Å; Q139-N143 PolarHBondContact O-N 3.27Å; N140-N143 PolarHBondContact O-N 2.96Å; I141-N143 VanDerWaalsContact C-N 3.31Å; I141-N143 PolarHBondContact O-N 3.2Å; N143-I145 VanDerWaalsContact C-N 3.32Å; N143-I145 PolarHBondContact O-N 3.14Å; N143-L146 PolarHBondContact O-N 3.07Å; N143-L146 VanDerWaalsContact O-N 3.08Å; N143-R147 WeakPolarHBondContact O-CG 3.4Å; N143-R147 PolarHBondContact O-N 3.46Å; N143-R147 WeakPolarHBondContact OD1-CD 3.46Å; N143-L182 VanDerWaalsContact ND2-CD2 3.31Å; N143-L182 WeakPolarHBondContact ND2-CD2 3.35Å; N143-L182 WeakPolarHBondContact ND2-CG 3.43Å |
| 144 | Y | 93.4 | Very high | 91.5 | Very high | 67 Ų | 67 | 31.2 Ų | 31.2 | 26% | 0.263 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60 | -39.5 | 177.7 | -60.5 | -38 | 0 | 0 | 0 | 112.9 | K101 F105 N140 I141 R147 A148 | K101-Y144 HydrophobicContact CB-CE2 4.42Å; K101-Y144 HydrophobicContact CG-CE2 4.49Å; F105-Y144 HydrophobicContact CD2-CD1 4.25Å; F105-Y144 AromaticContact CD2-CE1 3.73Å; F105-Y144 HydrophobicContact CD2-CE1 3.73Å; F105-Y144 HydrophobicContact CE2-CE1 4.44Å; N140-Y144 WeakPolarHBondContact O-CD2 3.49Å; N140-Y144 PolarHBondContact O-N 2.99Å; N140-Y144 VanDerWaalsContact O-N 3.09Å; I141-Y144 PolarHBondContact O-N 3.25Å; Y144-R147 PolarHBondContact O-N 3.19Å; Y144-A148 PolarHBondContact O-N 3.02Å |
| 145 | I | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 174.2 | -67.7 | 165.3 | 0 | 0 | 0 | 111 | L104 L130 V133 G134 I141 Q142 N143 A148 L149 W171 | L104-I145 HydrophobicContact CD1-CD1 4.08Å; L104-I145 HydrophobicContact CD1-CG1 3.88Å; L104-I145 HydrophobicContact CD2-CD1 4.45Å; L104-I145 HydrophobicContact CD2-CG1 3.67Å; L104-I145 HydrophobicContact CG-CG1 4.39Å; L130-I145 HydrophobicContact CB-CG2 3.92Å; L130-I145 HydrophobicContact CD2-CG2 4.21Å; L130-I145 HydrophobicContact CG-CG2 4.42Å; V133-I145 HydrophobicContact CB-CD1 4.24Å; V133-I145 HydrophobicContact CG1-CD1 3.93Å; G134-I145 VanDerWaalsContact CA-CD1 3.48Å; I141-I145 HydrophobicContact CG2-CD1 3.77Å; I141-I145 WeakPolarHBondContact O-CG1 3.39Å; I141-I145 PolarHBondContact O-N 3.11Å; Q142-I145 PolarHBondContact O-N 3.44Å; N143-I145 VanDerWaalsContact C-N 3.32Å; N143-I145 PolarHBondContact O-N 3.14Å; I145-A148 PolarHBondContact O-N 3.5Å; I145-L149 VanDerWaalsContact O-CB 3.28Å; I145-L149 WeakPolarHBondContact O-CB 3.47Å; I145-L149 PolarHBondContact O-N 2.93Å; I145-W171 HydrophobicContact CB-CH2 4.24Å; I145-W171 HydrophobicContact CG2-CH2 3.51Å; I145-W171 HydrophobicContact CG2-CZ2 4.46Å; I145-W171 HydrophobicContact CG2-CZ3 3.94Å |
| 146 | L | 95.1 | Very high | 91 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.8 | -36.3 | 176.5 | -67.1 | 169.5 | 0 | 0 | 0 | 112.4 | Q142 N143 L149 G150 W171 L172 L175 V183 T186 L190 | Q142-L146 VanDerWaalsContact O-CG 3.25Å; Q142-L146 WeakPolarHBondContact O-CG 3.4Å; Q142-L146 PolarHBondContact O-N 3.26Å; N143-L146 PolarHBondContact O-N 3.07Å; N143-L146 VanDerWaalsContact O-N 3.08Å; L146-L149 PolarHBondContact O-N 3.09Å; L146-G150 PolarHBondContact O-N 2.92Å; L146-W171 HydrophobicContact CD2-CH2 4.02Å; L146-W171 HydrophobicContact CD2-CZ3 3.91Å; L146-W171 HydrophobicContact CG-CH2 4.31Å; L146-L172 HydrophobicContact CD2-CD2 3.36Å; L146-L175 HydrophobicContact CD1-CD1 4.09Å; L146-L175 HydrophobicContact CD2-CD1 3.95Å; L146-L175 HydrophobicContact CG-CD1 4.39Å; L146-V183 HydrophobicContact CD1-CG1 3.96Å; L146-T186 HydrophobicContact CB-CG2 3.74Å; L146-T186 HydrophobicContact CD1-CG2 4.38Å; L146-L190 HydrophobicContact CB-CD1 4.36Å; L146-L190 HydrophobicContact CD2-CD1 3.87Å |
| 147 | R | 92.4 | Very high | 90.9 | Very high | 48 Ų | 48 | 20.2 Ų | 20.2 | 18% | 0.181 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 173.7 | -67.3 | 177.8 | 79.3 | 70.9 | 14.9 | 111.4 | N143 Y144 G150 Q151 D1420 D1424 | N143-R147 WeakPolarHBondContact O-CG 3.4Å; N143-R147 PolarHBondContact O-N 3.46Å; N143-R147 WeakPolarHBondContact OD1-CD 3.46Å; Y144-R147 PolarHBondContact O-N 3.19Å; R147-G150 PolarHBondContact O-N 3.5Å; R147-Q151 PolarHBondContact O-N 3.15Å; R147-D1420 IonicContact NH1-OD1 3.51Å; R147-D1420 PolarHBondContact NH1-OD1 3.47Å; R147-D1424 IonicContact CZ-OD1 2.66Å; R147-D1424 IonicContact CZ-OD2 3.13Å; R147-D1424 IonicContact NH1-OD1 3.15Å; R147-D1424 IonicContact NH1-OD2 3.47Å; R147-D1424 PolarHBondContact NH1-OD2 2.95Å; R147-D1424 VanDerWaalsContact NH2-CG 3.28Å; R147-D1424 IonicContact NH2-OD1 3.6Å; R147-D1424 PolarHBondContact NH2-OD1 3.12Å; R147-D1424 VanDerWaalsContact NH2-OD1 3.13Å; R147-D1424 IonicContact NH2-OD2 3.95Å; R147-D1424 PolarHBondContact NH2-OD2 3.18Å |
| 148 | A | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.4 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L107 Y144 I145 G150 Q151 I152 | L107-A148 HydrophobicContact CB-CB 4.07Å; L107-A148 HydrophobicContact CD2-CB 3.82Å; L107-A148 HydrophobicContact CG-CB 3.92Å; Y144-A148 PolarHBondContact O-N 3.02Å; I145-A148 PolarHBondContact O-N 3.5Å; A148-G150 VanDerWaalsContact C-N 3.32Å; A148-G150 PolarHBondContact O-N 3.48Å; A148-Q151 WeakPolarHBondContact O-CB 3.22Å; A148-Q151 PolarHBondContact O-N 2.79Å; A148-I152 WeakPolarHBondContact O-CG1 3.25Å; A148-I152 PolarHBondContact O-N 2.99Å |
| 149 | L | 94.7 | Very high | 91 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.4 | -36.8 | 175.1 | -179.4 | 60.8 | 0 | 0 | 0 | 111.9 | I145 L146 Q151 I152 M153 V162 I168 W171 L172 L190 | I145-L149 VanDerWaalsContact O-CB 3.28Å; I145-L149 WeakPolarHBondContact O-CB 3.47Å; I145-L149 PolarHBondContact O-N 2.93Å; L146-L149 PolarHBondContact O-N 3.09Å; L149-Q151 VanDerWaalsContact C-N 3.34Å; L149-I152 PolarHBondContact O-N 3.22Å; L149-M153 HydrophobicContact CD1-CG 4.29Å; L149-M153 HydrophobicContact CD1-SD 4.27Å; L149-M153 HydrophobicContact CG-CG 4.49Å; L149-M153 HydrophobicContact CG-SD 4.02Å; L149-M153 WeakPolarHBondContact O-CB 3.49Å; L149-M153 VanDerWaalsContact O-CG 3.3Å; L149-M153 WeakPolarHBondContact O-CG 3.46Å; L149-M153 PolarHBondContact O-N 3.08Å; L149-V162 HydrophobicContact CD1-CG2 4.21Å; L149-I168 HydrophobicContact CD1-CG2 4.25Å; L149-I168 HydrophobicContact CD2-CG2 3.68Å; L149-W171 HydrophobicContact CD2-CZ3 4.26Å; L149-L172 HydrophobicContact CD2-CD1 4.31Å; L149-L172 HydrophobicContact CD2-CD2 4.09Å; L149-L172 HydrophobicContact CD2-CG 4.4Å; L149-L190 HydrophobicContact CB-CD1 4.31Å; L149-L190 HydrophobicContact CD2-CD1 4.04Å; L149-L190 HydrophobicContact CG-CD1 4.14Å |
| 150 | G | 92 | Very high | 90.7 | Very high | 5 Ų | 5 | 15.1 Ų | 15.1 | 5% | 0.052 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L146 R147 A148 M153 L154 | L146-G150 PolarHBondContact O-N 2.92Å; R147-G150 PolarHBondContact O-N 3.5Å; A148-G150 VanDerWaalsContact C-N 3.32Å; A148-G150 PolarHBondContact O-N 3.48Å; G150-M153 PolarHBondContact O-N 3.48Å; G150-L154 WeakPolarHBondContact O-CG 3.4Å; G150-L154 PolarHBondContact O-N 2.96Å |
| 151 | Q | 92.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 13.5 Ų | 13.5 | 7% | 0.07 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 174.5 | -169.1 | 63 | 29.3 | 0 | 0 | 111.9 | K108 F111 Q112 R147 A148 L149 M153 L154 Y155 | K108-Q151 HydrophobicContact CG-CB 4.14Å; K108-Q151 HydrophobicContact CG-CG 4.36Å; F111-Q151 HydrophobicContact CB-CG 4.12Å; Q112-Q151 HydrophobicContact CB-CG 4.43Å; R147-Q151 PolarHBondContact O-N 3.15Å; A148-Q151 WeakPolarHBondContact O-CB 3.22Å; A148-Q151 PolarHBondContact O-N 2.79Å; L149-Q151 VanDerWaalsContact C-N 3.34Å; Q151-M153 PolarHBondContact O-N 3.16Å; Q151-L154 PolarHBondContact O-N 3.21Å; Q151-Y155 HydrophobicContact CG-CE2 4.21Å; Q151-Y155 PolarHBondContact NE2-OH 2.84Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.4Å; Q151-Y155 WeakPolarHBondContact O-CE2 3.31Å |
| 152 | I | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.9 | -48.2 | 173.8 | -70 | 168.3 | 0 | 0 | 0 | 110.7 | F111 V118 F121 L127 L130 A148 L149 L154 Y155 G158 | F111-I152 HydrophobicContact CD2-CD1 4.13Å; F111-I152 HydrophobicContact CD2-CG1 3.84Å; F111-I152 HydrophobicContact CE2-CD1 3.73Å; F111-I152 HydrophobicContact CE2-CG1 3.96Å; F111-I152 HydrophobicContact CG-CG1 4.34Å; F111-I152 HydrophobicContact CZ-CD1 4.26Å; V118-I152 HydrophobicContact CG1-CB 4.48Å; V118-I152 HydrophobicContact CG1-CG1 4.46Å; V118-I152 HydrophobicContact CG1-CG2 4.06Å; F121-I152 HydrophobicContact CD1-CD1 3.85Å; F121-I152 HydrophobicContact CE1-CD1 3.79Å; L127-I152 HydrophobicContact CD2-CD1 4.25Å; L127-I152 HydrophobicContact CD2-CG2 4.34Å; L130-I152 HydrophobicContact CD1-CD1 4Å; A148-I152 WeakPolarHBondContact O-CG1 3.25Å; A148-I152 PolarHBondContact O-N 2.99Å; L149-I152 PolarHBondContact O-N 3.22Å; I152-L154 PolarHBondContact O-N 2.97Å; I152-Y155 PolarHBondContact O-N 2.83Å; I152-Y155 VanDerWaalsContact O-N 3.11Å; I152-G158 WeakPolarHBondContact O-CA 3.11Å |
| 153 | M | 90.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -69.8 | -8.5 | -176.4 | -71.8 | 176.5 | 68.5 | 0 | 0 | 114.9 | L149 G150 Q151 M159 V162 L190 L193 F194 I1322 | L149-M153 HydrophobicContact CD1-CG 4.29Å; L149-M153 HydrophobicContact CD1-SD 4.27Å; L149-M153 HydrophobicContact CG-CG 4.49Å; L149-M153 HydrophobicContact CG-SD 4.02Å; L149-M153 WeakPolarHBondContact O-CB 3.49Å; L149-M153 VanDerWaalsContact O-CG 3.3Å; L149-M153 WeakPolarHBondContact O-CG 3.46Å; L149-M153 PolarHBondContact O-N 3.08Å; G150-M153 PolarHBondContact O-N 3.48Å; Q151-M153 PolarHBondContact O-N 3.16Å; M153-M159 HydrophobicContact CB-CE 4.26Å; M153-M159 HydrophobicContact CE-CE 3.76Å; M153-M159 HydrophobicContact CE-SD 4.01Å; M153-V162 HydrophobicContact CE-CG1 4.46Å; M153-V162 HydrophobicContact CG-CG2 3.82Å; M153-V162 HydrophobicContact SD-CG2 4.28Å; M153-L190 HydrophobicContact CE-CB 4.49Å; M153-L190 WeakPolarHBondContact CE-O 2.85Å; M153-L190 HydrophobicContact SD-CB 4.24Å; M153-L190 HydrophobicContact SD-CD2 4.19Å; M153-L193 HydrophobicContact CB-CD2 3.92Å; M153-L193 HydrophobicContact CE-CD2 4.37Å; M153-F194 HydrophobicContact CE-CB 3.89Å; M153-I1322 WeakPolarHBondContact O-CD1 3.28Å |
| 154 | L | 88.2 | Confident | 90.2 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -17.1 | 171.2 | -72.1 | 169.1 | 0 | 0 | 0 | 113 | G150 Q151 I152 L1321 I1322 L1426 | G150-L154 WeakPolarHBondContact O-CG 3.4Å; G150-L154 PolarHBondContact O-N 2.96Å; Q151-L154 PolarHBondContact O-N 3.21Å; I152-L154 PolarHBondContact O-N 2.97Å; L154-L1321 HydrophobicContact CB-CD2 4.11Å; L154-L1321 WeakPolarHBondContact O-CA 3.29Å; L154-I1322 WeakPolarHBondContact O-CG1 3.3Å; L154-I1322 PolarHBondContact O-N 3.28Å; L154-L1426 HydrophobicContact CD1-CD2 4.06Å; L154-L1426 HydrophobicContact CD1-CG 4.34Å; L154-L1426 HydrophobicContact CD2-CG 4.45Å |
| 155 | Y | 87.7 | Confident | 89.9 | Confident | 11 Ų | 11 | 17.3 Ų | 17.3 | 4% | 0.043 | 9% | 0.09 | C | C | . | . | B | Isolated β-bridge | trans | -96 | 146.5 | 176.7 | -60 | -78 | 0 | 0 | 0 | 111.9 | F111 K115 V118 Q151 I152 D157 G158 M159 G1319 K1320 L1321 | F111-Y155 WeakPolarHBondContact O-CE2 3.16Å; F111-Y155 PolarHBondContact O-OH 2.69Å; F111-Y155 VanDerWaalsContact O-OH 3.06Å; K115-Y155 HydrophobicContact CB-CD1 4.29Å; K115-Y155 HydrophobicContact CB-CE1 3.63Å; V118-Y155 HydrophobicContact CB-CD2 4.44Å; V118-Y155 HydrophobicContact CG1-CD2 4.28Å; V118-Y155 HydrophobicContact CG2-CD2 3.74Å; V118-Y155 HydrophobicContact CG2-CE2 3.98Å; V118-Y155 HydrophobicContact CG2-CG 4.38Å; Q151-Y155 HydrophobicContact CG-CE2 4.21Å; Q151-Y155 PolarHBondContact NE2-OH 2.84Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.4Å; Q151-Y155 WeakPolarHBondContact O-CE2 3.31Å; I152-Y155 PolarHBondContact O-N 2.83Å; I152-Y155 VanDerWaalsContact O-N 3.11Å; Y155-D157 PolarHBondContact O-N 3.28Å; Y155-G158 PolarHBondContact O-N 3.1Å; Y155-G158 VanDerWaalsContact O-N 3.16Å; Y155-M159 PolarHBondContact O-N 3.48Å; Y155-G1319 VanDerWaalsContact CD1-O 3.26Å; Y155-G1319 WeakPolarHBondContact CD1-O 3.34Å; Y155-G1319 WeakPolarHBondContact CE1-O 3.3Å; Y155-K1320 WeakPolarHBondContact CA-O 3.35Å; Y155-L1321 HydrophobicContact CD1-CD2 3.78Å; Y155-L1321 HydrophobicContact CD1-CG 4.4Å; Y155-L1321 HydrophobicContact CE1-CD2 3.52Å; Y155-L1321 HydrophobicContact CE1-CG 4.15Å; Y155-L1321 HydrophobicContact CG-CD2 4.44Å |
| 156 | V | 83.7 | Confident | 89.4 | Confident | 15 Ų | 15 | 18 Ų | 18 | 9% | 0.091 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | -178.1 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | G158 M159 A160 T1317 K1320 I1322 L1325 | V156-G158 VanDerWaalsContact C-N 3.33Å; V156-G158 PolarHBondContact O-N 2.72Å; V156-M159 PolarHBondContact O-N 2.68Å; V156-A160 WeakPolarHBondContact O-CB 3.38Å; V156-A160 PolarHBondContact O-N 3.06Å; V156-T1317 HydrophobicContact CG1-CG2 4.21Å; V156-K1320 PolarHBondContact N-O 2.98Å; V156-I1322 HydrophobicContact CG2-CG1 4.16Å; V156-L1325 HydrophobicContact CG1-CD1 4.45Å; V156-L1325 HydrophobicContact CG2-CD1 3.62Å |
| 157 | D | 83.7 | Confident | 89.2 | Confident | 13 Ų | 13 | 21.3 Ų | 21.3 | 7% | 0.07 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.7 | -36.4 | 177.2 | -51.1 | -79.4 | 0 | 0 | 0 | 112.5 | H119 Y155 G161 R1318 G1319 | H119-D157 HydrophobicContact CB-CB 3.95Å; H119-D157 IonicContact CE1-OD1 3.31Å; H119-D157 IonicContact CG-OD1 3.08Å; H119-D157 IonicContact ND1-OD1 3.6Å; H119-D157 PolarHBondContact ND1-OD1 3.27Å; Y155-D157 PolarHBondContact O-N 3.28Å; D157-G161 PolarHBondContact O-N 2.94Å; D157-R1318 VanDerWaalsContact OD2-CA 3.25Å; D157-R1318 WeakPolarHBondContact OD2-CA 3.45Å; D157-G1319 PolarHBondContact OD2-N 3.21Å |
| 158 | G | 89.7 | Confident | 89.3 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.7 | -44.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I152 Y155 V156 G161 V162 | I152-G158 WeakPolarHBondContact O-CA 3.11Å; Y155-G158 PolarHBondContact O-N 3.1Å; Y155-G158 VanDerWaalsContact O-N 3.16Å; V156-G158 VanDerWaalsContact C-N 3.33Å; V156-G158 PolarHBondContact O-N 2.72Å; G158-G161 PolarHBondContact O-N 3.24Å; G158-V162 WeakPolarHBondContact O-CG2 3.15Å; G158-V162 PolarHBondContact O-N 2.8Å |
| 159 | M | 89.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | 173.9 | -174.4 | 60.8 | 90.4 | 0 | 0 | 112 | M153 Y155 V156 G161 V162 I163 L193 F194 Y197 I1322 | M153-M159 HydrophobicContact CB-CE 4.26Å; M153-M159 HydrophobicContact CE-CE 3.76Å; M153-M159 HydrophobicContact CE-SD 4.01Å; Y155-M159 PolarHBondContact O-N 3.48Å; V156-M159 PolarHBondContact O-N 2.68Å; M159-G161 VanDerWaalsContact C-N 3.26Å; M159-G161 PolarHBondContact O-N 2.92Å; M159-V162 PolarHBondContact O-N 3.11Å; M159-V162 VanDerWaalsContact O-N 3.09Å; M159-I163 HydrophobicContact CG-CD1 4.3Å; M159-I163 VanDerWaalsContact O-CG1 3.31Å; M159-I163 WeakPolarHBondContact O-CG1 3.47Å; M159-I163 PolarHBondContact O-N 2.94Å; M159-L193 HydrophobicContact CE-CD2 4.39Å; M159-L193 HydrophobicContact CE-CG 3.92Å; M159-F194 HydrophobicContact SD-CD2 3.79Å; M159-F194 HydrophobicContact SD-CE2 4.48Å; M159-Y197 HydrophobicContact CB-CE1 4.44Å; M159-Y197 HydrophobicContact CE-CG 4.27Å; M159-Y197 HydrophobicContact CG-CD1 3.5Å; M159-Y197 VanDerWaalsContact CG-CD1 3.5Å; M159-Y197 HydrophobicContact CG-CD2 4.04Å; M159-Y197 HydrophobicContact CG-CE1 3.66Å; M159-Y197 HydrophobicContact CG-CE2 4.2Å; M159-Y197 HydrophobicContact CG-CG 3.67Å; M159-Y197 HydrophobicContact SD-CG 4.48Å; M159-I1322 HydrophobicContact CB-CD1 3.92Å; M159-I1322 HydrophobicContact CE-CD1 4.5Å; M159-I1322 HydrophobicContact CG-CD1 4.34Å |
| 160 | A | 85.8 | Confident | 89.3 | Confident | 40 Ų | 40 | 21 Ų | 21 | 33% | 0.331 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -57.3 | -41.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V156 V162 I163 E164 | V156-A160 WeakPolarHBondContact O-CB 3.38Å; V156-A160 PolarHBondContact O-N 3.06Å; A160-V162 PolarHBondContact O-N 3.19Å; A160-I163 WeakPolarHBondContact O-CB 3.49Å; A160-I163 PolarHBondContact O-N 2.92Å; A160-E164 PolarHBondContact O-N 3.09Å |
| 161 | G | 87.7 | Confident | 89.4 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D157 G158 M159 E164 H165 | D157-G161 PolarHBondContact O-N 2.94Å; G158-G161 PolarHBondContact O-N 3.24Å; M159-G161 VanDerWaalsContact C-N 3.26Å; M159-G161 PolarHBondContact O-N 2.92Å; G161-E164 PolarHBondContact O-N 3.21Å; G161-H165 WeakPolarHBondContact O-CB 3.27Å; G161-H165 PolarHBondContact O-N 3.39Å; G161-H165 VanDerWaalsContact O-N 3.14Å |
| 162 | V | 91 | Very high | 89.6 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.9 | -33.1 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 112 | L149 M153 G158 M159 A160 H165 I168 L169 F194 | L149-V162 HydrophobicContact CD1-CG2 4.21Å; M153-V162 HydrophobicContact CE-CG1 4.46Å; M153-V162 HydrophobicContact CG-CG2 3.82Å; M153-V162 HydrophobicContact SD-CG2 4.28Å; G158-V162 WeakPolarHBondContact O-CG2 3.15Å; G158-V162 PolarHBondContact O-N 2.8Å; M159-V162 PolarHBondContact O-N 3.11Å; M159-V162 VanDerWaalsContact O-N 3.09Å; A160-V162 PolarHBondContact O-N 3.19Å; V162-H165 CarbonylContact O-C 3.6Å; V162-H165 PolarHBondContact O-N 3.45Å; V162-I168 HydrophobicContact CB-CD1 4.31Å; V162-I168 HydrophobicContact CG1-CB 4.49Å; V162-I168 HydrophobicContact CG1-CD1 4.35Å; V162-I168 HydrophobicContact CG1-CG2 4.31Å; V162-I168 HydrophobicContact CG2-CD1 3.83Å; V162-L169 HydrophobicContact CG1-CD2 3.97Å; V162-F194 HydrophobicContact CB-CD2 4.49Å; V162-F194 HydrophobicContact CG1-CD2 3.73Å; V162-F194 HydrophobicContact CG1-CE2 3.92Å |
| 163 | I | 89.4 | Confident | 89.7 | Confident | 34 Ų | 34 | 20.5 Ų | 20.5 | 17% | 0.174 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 173.3 | -69.5 | 168.7 | 0 | 0 | 0 | 111 | M159 A160 H165 F194 Y197 N201 I204 | M159-I163 HydrophobicContact CG-CD1 4.3Å; M159-I163 VanDerWaalsContact O-CG1 3.31Å; M159-I163 WeakPolarHBondContact O-CG1 3.47Å; M159-I163 PolarHBondContact O-N 2.94Å; A160-I163 WeakPolarHBondContact O-CB 3.49Å; A160-I163 PolarHBondContact O-N 2.92Å; I163-H165 PolarHBondContact O-N 2.89Å; I163-F194 HydrophobicContact CB-CE2 4.32Å; I163-F194 HydrophobicContact CG1-CE2 3.56Å; I163-F194 HydrophobicContact CG1-CZ 4.1Å; I163-Y197 HydrophobicContact CD1-CD1 3.88Å; I163-Y197 HydrophobicContact CD1-CE1 3.76Å; I163-N201 WeakPolarHBondContact CD1-OD1 3.35Å; I163-I204 HydrophobicContact CG2-CD1 3.76Å |
| 164 | E | 86.6 | Confident | 89.9 | Confident | 138 Ų | 138 | 21.7 Ų | 21.7 | 65% | 0.645 | 12% | 0.115 | S | C | * | . | H | α-helix | trans | -75.5 | -9.8 | 176.8 | -67.8 | -175.4 | -179 | 0 | 0 | 113.4 | A160 G161 P166 L348 | A160-E164 PolarHBondContact O-N 3.09Å; G161-E164 PolarHBondContact O-N 3.21Å; E164-P166 VanDerWaalsContact O-CD 3.28Å; E164-P166 WeakPolarHBondContact O-CD 3.36Å; E164-L348 VanDerWaalsContact O-CD2 3.26Å; E164-L348 WeakPolarHBondContact O-CD2 3.28Å |
| 165 | H | 87.3 | Confident | 90.1 | Very high | 29 Ų | 29 | 21.8 Ų | 21.8 | 13% | 0.134 | 12% | 0.115 | C | C | . | . | trans | -123.9 | 75.4 | -169.6 | -154.8 | -57.4 | 0 | 0 | 0 | 114.1 | L127 D128 G161 V162 I163 N167 I168 | L127-H165 HydrophobicContact CD1-CB 4.21Å; D128-H165 VanDerWaalsContact CG-CE1 3.5Å; D128-H165 IonicContact OD1-CE1 3.49Å; D128-H165 PolarHBondContact OD1-CE1 3.21Å; D128-H165 IonicContact OD1-NE2 3.15Å; D128-H165 PolarHBondContact OD1-NE2 3.19Å; D128-H165 IonicContact OD2-CD2 3.77Å; D128-H165 IonicContact OD2-CE1 2.71Å; D128-H165 IonicContact OD2-NE2 3.37Å; D128-H165 PolarHBondContact OD2-NE2 3.48Å; G161-H165 WeakPolarHBondContact O-CB 3.27Å; G161-H165 PolarHBondContact O-N 3.39Å; G161-H165 VanDerWaalsContact O-N 3.14Å; V162-H165 CarbonylContact O-C 3.6Å; V162-H165 PolarHBondContact O-N 3.45Å; I163-H165 PolarHBondContact O-N 2.89Å; H165-N167 PolarHBondContact O-N 2.94Å; H165-I168 HydrophobicContact CB-CD1 3.72Å; H165-I168 HydrophobicContact CB-CG1 4.3Å; H165-I168 PolarHBondContact O-N 3.11Å; H165-I168 VanDerWaalsContact O-N 3.16Å | ||
| 166 | P | 85.1 | Confident | 90.4 | Very high | 13 Ų | 13 | 21.7 Ų | 21.7 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.8 | -7.4 | -174.1 | 27.2 | -36.1 | 0 | 0 | 0 | 114.6 | E164 I168 L169 R170 L348 | E164-P166 VanDerWaalsContact O-CD 3.28Å; E164-P166 WeakPolarHBondContact O-CD 3.36Å; P166-I168 VanDerWaalsContact C-N 3.32Å; P166-L169 PolarHBondContact O-N 2.8Å; P166-R170 WeakPolarHBondContact O-CD 3.42Å; P166-R170 VanDerWaalsContact O-CG 3.25Å; P166-R170 WeakPolarHBondContact O-CG 3.3Å; P166-R170 PolarHBondContact O-N 2.88Å; P166-R170 VanDerWaalsContact O-N 3.16Å; P166-L348 HydrophobicContact CG-CD2 4.46Å |
| 167 | N | 89.6 | Confident | 90.8 | Very high | 71 Ų | 71 | 24.8 Ų | 24.8 | 38% | 0.38 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -70.1 | -30.7 | 173.3 | -67.9 | -23.7 | 0 | 0 | 0 | 112 | H165 R170 W171 | H165-N167 PolarHBondContact O-N 2.94Å; N167-R170 PolarHBondContact O-N 3.44Å; N167-R170 PolarHBondContact OD1-NH1 3.49Å; N167-W171 WeakPolarHBondContact O-CB 3.36Å; N167-W171 PolarHBondContact O-N 2.87Å |
| 168 | I | 94.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 174.5 | -56.9 | 164.8 | 0 | 0 | 0 | 109.9 | L127 V131 L149 V162 H165 P166 R170 W171 L172 | L127-I168 HydrophobicContact CB-CD1 3.64Å; L127-I168 HydrophobicContact CB-CG1 4.25Å; L127-I168 HydrophobicContact CD1-CD1 3.53Å; L127-I168 HydrophobicContact CD2-CD1 4.16Å; L127-I168 HydrophobicContact CG-CD1 3.95Å; V131-I168 HydrophobicContact CG2-CB 4.43Å; V131-I168 HydrophobicContact CG2-CG1 3.95Å; L149-I168 HydrophobicContact CD1-CG2 4.25Å; L149-I168 HydrophobicContact CD2-CG2 3.68Å; V162-I168 HydrophobicContact CB-CD1 4.31Å; V162-I168 HydrophobicContact CG1-CB 4.49Å; V162-I168 HydrophobicContact CG1-CD1 4.35Å; V162-I168 HydrophobicContact CG1-CG2 4.31Å; V162-I168 HydrophobicContact CG2-CD1 3.83Å; H165-I168 HydrophobicContact CB-CD1 3.72Å; H165-I168 HydrophobicContact CB-CG1 4.3Å; H165-I168 PolarHBondContact O-N 3.11Å; H165-I168 VanDerWaalsContact O-N 3.16Å; P166-I168 VanDerWaalsContact C-N 3.32Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 3.27Å; I168-W171 PolarHBondContact O-N 3.06Å; I168-W171 VanDerWaalsContact O-N 3.16Å; I168-L172 HydrophobicContact CG2-CD1 4.04Å; I168-L172 HydrophobicContact CG2-CG 4.29Å; I168-L172 WeakPolarHBondContact O-CB 3.37Å; I168-L172 WeakPolarHBondContact O-CG 3.15Å; I168-L172 PolarHBondContact O-N 3.24Å |
| 169 | L | 93.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 178.6 | -56.5 | 176.5 | 0 | 0 | 0 | 111.5 | V162 P166 Y173 F194 I204 | V162-L169 HydrophobicContact CG1-CD2 3.97Å; P166-L169 PolarHBondContact O-N 2.8Å; L169-Y173 VanDerWaalsContact O-CB 3.25Å; L169-Y173 WeakPolarHBondContact O-CB 3.26Å; L169-Y173 PolarHBondContact O-N 3.02Å; L169-F194 HydrophobicContact CD1-CD1 4.11Å; L169-F194 HydrophobicContact CD1-CE1 3.46Å; L169-F194 VanDerWaalsContact CD1-CE1 3.46Å; L169-F194 HydrophobicContact CD1-CE2 4.16Å; L169-F194 HydrophobicContact CD1-CZ 3.51Å; L169-F194 HydrophobicContact CD2-CB 4.3Å; L169-F194 HydrophobicContact CD2-CD1 3.63Å; L169-F194 HydrophobicContact CD2-CD2 3.84Å; L169-F194 HydrophobicContact CD2-CE1 3.85Å; L169-F194 HydrophobicContact CD2-CE2 4.05Å; L169-F194 HydrophobicContact CD2-CG 3.63Å; L169-F194 HydrophobicContact CD2-CZ 4.08Å; L169-F194 HydrophobicContact CG-CE1 4.31Å; L169-F194 HydrophobicContact CG-CZ 4.37Å; L169-I204 HydrophobicContact CD1-CG2 3.83Å |
| 170 | R | 94.1 | Very high | 91.1 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 16% | 0.158 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 173.2 | -69.1 | 168.1 | -169.9 | 135.9 | 6.2 | 112 | P166 N167 I168 S174 S208 Y212 | P166-R170 WeakPolarHBondContact O-CD 3.42Å; P166-R170 VanDerWaalsContact O-CG 3.25Å; P166-R170 WeakPolarHBondContact O-CG 3.3Å; P166-R170 PolarHBondContact O-N 2.88Å; P166-R170 VanDerWaalsContact O-N 3.16Å; N167-R170 PolarHBondContact O-N 3.44Å; N167-R170 PolarHBondContact OD1-NH1 3.49Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 3.27Å; R170-S174 WeakPolarHBondContact O-CB 3.46Å; R170-S174 PolarHBondContact O-N 3.41Å; R170-S208 WeakPolarHBondContact CG-O 3.22Å; R170-Y212 HydrophobicContact CB-CD2 4.13Å |
| 171 | W | 94.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 3% | 0.034 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.9 | -51.2 | 177.3 | 179.1 | 64.2 | 0 | 0 | 0 | 111.6 | V131 S135 I145 L146 L149 N167 I168 Y173 S174 L175 | V131-W171 HydrophobicContact CG1-CB 3.94Å; V131-W171 HydrophobicContact CG1-CG 4.05Å; V131-W171 HydrophobicContact CG2-CB 4.13Å; V131-W171 HydrophobicContact CG2-CD2 4.35Å; V131-W171 HydrophobicContact CG2-CE3 4.23Å; V131-W171 HydrophobicContact CG2-CG 4.32Å; S135-W171 PolarHBondContact OG-NE1 3.4Å; I145-W171 HydrophobicContact CB-CH2 4.24Å; I145-W171 HydrophobicContact CG2-CH2 3.51Å; I145-W171 HydrophobicContact CG2-CZ2 4.46Å; I145-W171 HydrophobicContact CG2-CZ3 3.94Å; L146-W171 HydrophobicContact CD2-CH2 4.02Å; L146-W171 HydrophobicContact CD2-CZ3 3.91Å; L146-W171 HydrophobicContact CG-CH2 4.31Å; L149-W171 HydrophobicContact CD2-CZ3 4.26Å; N167-W171 WeakPolarHBondContact O-CB 3.36Å; N167-W171 PolarHBondContact O-N 2.87Å; I168-W171 PolarHBondContact O-N 3.06Å; I168-W171 VanDerWaalsContact O-N 3.16Å; W171-Y173 VanDerWaalsContact C-N 3.29Å; W171-Y173 PolarHBondContact O-N 3Å; W171-S174 WeakPolarHBondContact O-CA 3.42Å; W171-S174 WeakPolarHBondContact O-CB 3.42Å; W171-S174 PolarHBondContact O-N 2.66Å; W171-S174 PolarHBondContact O-OG 3.27Å; W171-L175 HydrophobicContact CD2-CD1 4.25Å; W171-L175 HydrophobicContact CE3-CD1 4.44Å; W171-L175 HydrophobicContact CH2-CD1 3.95Å; W171-L175 HydrophobicContact CZ2-CD1 3.74Å; W171-L175 HydrophobicContact CZ2-CD2 4.45Å; W171-L175 HydrophobicContact CZ2-CG 4.48Å; W171-L175 HydrophobicContact CZ3-CD1 4.31Å; W171-L175 WeakPolarHBondContact O-CG 3.46Å; W171-L175 PolarHBondContact O-N 2.82Å; W171-L175 VanDerWaalsContact O-N 3.08Å |
| 172 | L | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54 | -44.2 | 174.2 | -72.4 | 175.4 | 0 | 0 | 0 | 112.1 | L146 L149 I168 L175 A187 L190 Q191 | L146-L172 HydrophobicContact CD2-CD2 3.36Å; L149-L172 HydrophobicContact CD2-CD1 4.31Å; L149-L172 HydrophobicContact CD2-CD2 4.09Å; L149-L172 HydrophobicContact CD2-CG 4.4Å; I168-L172 HydrophobicContact CG2-CD1 4.04Å; I168-L172 HydrophobicContact CG2-CG 4.29Å; I168-L172 WeakPolarHBondContact O-CB 3.37Å; I168-L172 WeakPolarHBondContact O-CG 3.15Å; I168-L172 PolarHBondContact O-N 3.24Å; L172-L175 PolarHBondContact O-N 3.01Å; L172-A187 HydrophobicContact CD2-CB 4.45Å; L172-L190 HydrophobicContact CD1-CB 4.06Å; L172-L190 HydrophobicContact CD2-CB 4.28Å; L172-L190 HydrophobicContact CD2-CD1 3.99Å; L172-Q191 HydrophobicContact CB-CG 3.98Å; L172-Q191 HydrophobicContact CD1-CG 4.41Å; L172-Q191 PolarHBondContact O-NE2 2.78Å |
| 173 | Y | 95.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 175.8 | -179.8 | -95 | 0 | 0 | 0 | 112.2 | L169 W171 L175 L176 F205 V209 Y212 H213 W223 Y225 L226 | L169-Y173 VanDerWaalsContact O-CB 3.25Å; L169-Y173 WeakPolarHBondContact O-CB 3.26Å; L169-Y173 PolarHBondContact O-N 3.02Å; W171-Y173 VanDerWaalsContact C-N 3.29Å; W171-Y173 PolarHBondContact O-N 3Å; Y173-L175 VanDerWaalsContact C-N 3.3Å; Y173-L175 PolarHBondContact O-N 3.17Å; Y173-L176 HydrophobicContact CD2-CD1 3.77Å; Y173-L176 HydrophobicContact CE2-CD1 4.13Å; Y173-L176 HydrophobicContact CG-CD1 4.49Å; Y173-L176 VanDerWaalsContact O-CB 3.26Å; Y173-L176 WeakPolarHBondContact O-CB 3.35Å; Y173-L176 VanDerWaalsContact O-CG 3.29Å; Y173-L176 WeakPolarHBondContact O-CG 3.43Å; Y173-L176 PolarHBondContact O-N 3.35Å; Y173-F205 HydrophobicContact CD2-CZ 4.46Å; Y173-V209 HydrophobicContact CD2-CG2 3.71Å; Y173-V209 HydrophobicContact CE1-CG1 4.21Å; Y173-V209 HydrophobicContact CE2-CG1 4Å; Y173-V209 HydrophobicContact CE2-CG2 3.81Å; Y173-V209 HydrophobicContact CG-CG2 4.12Å; Y173-Y212 AromaticContact CD1-CD1 3.8Å; Y173-Y212 HydrophobicContact CD1-CD1 3.8Å; Y173-Y212 HydrophobicContact CD1-CE1 4.32Å; Y173-Y212 HydrophobicContact CD1-CG 4.17Å; Y173-Y212 AromaticContact CE1-CD1 3.86Å; Y173-Y212 HydrophobicContact CE1-CD1 3.86Å; Y173-Y212 HydrophobicContact CE1-CE1 4.37Å; Y173-H213 AromaticContact CE1-CD2 3.82Å; Y173-H213 AromaticContact CE1-NE2 3.23Å; Y173-H213 WeakPolarHBondContact CE1-NE2 3.39Å; Y173-H213 AromaticContact CZ-NE2 3.46Å; Y173-H213 PolarHBondContact OH-NE2 3.25Å; Y173-W223 WeakPolarHBondContact OH-CA 3.09Å; Y173-W223 PolarHBondContact OH-N 3.25Å; Y173-Y225 AromaticContact CD1-CD2 3.84Å; Y173-Y225 HydrophobicContact CD1-CD2 3.84Å; Y173-Y225 HydrophobicContact CD1-CE2 4.2Å; Y173-Y225 AromaticContact CE1-CD2 3.32Å; Y173-Y225 HydrophobicContact CE1-CD2 3.32Å; Y173-Y225 AromaticContact CE1-CE2 3.8Å; Y173-Y225 HydrophobicContact CE1-CE2 3.8Å; Y173-Y225 HydrophobicContact CE1-CG 4.03Å; Y173-Y225 AromaticContact CZ-CD2 3.73Å; Y173-Y225 AromaticContact CZ-CG 4Å; Y173-Y225 WeakPolarHBondContact O-CD2 3.4Å; Y173-L226 HydrophobicContact CE2-CD1 4.37Å |
| 174 | S | 93.6 | Very high | 91.4 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -35.5 | 175.8 | 78 | 0 | 0 | 0 | 0 | 113.2 | R170 W171 L176 T177 Y212 | R170-S174 WeakPolarHBondContact O-CB 3.46Å; R170-S174 PolarHBondContact O-N 3.41Å; W171-S174 WeakPolarHBondContact O-CA 3.42Å; W171-S174 WeakPolarHBondContact O-CB 3.42Å; W171-S174 PolarHBondContact O-N 2.66Å; W171-S174 PolarHBondContact O-OG 3.27Å; S174-L176 PolarHBondContact O-N 3.43Å; S174-L176 VanDerWaalsContact O-N 3.12Å; S174-T177 PolarHBondContact O-N 3.42Å; S174-T177 VanDerWaalsContact O-N 3.15Å; S174-T177 PolarHBondContact O-OG1 3.4Å; S174-Y212 WeakPolarHBondContact CB-OH 3.26Å |
| 175 | L | 94.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -64.5 | -14.1 | 177.8 | -65.4 | 177.8 | 0 | 0 | 0 | 113.4 | L146 W171 L172 Y173 T177 S178 V183 A187 | L146-L175 HydrophobicContact CD1-CD1 4.09Å; L146-L175 HydrophobicContact CD2-CD1 3.95Å; L146-L175 HydrophobicContact CG-CD1 4.39Å; W171-L175 HydrophobicContact CD2-CD1 4.25Å; W171-L175 HydrophobicContact CE3-CD1 4.44Å; W171-L175 HydrophobicContact CH2-CD1 3.95Å; W171-L175 HydrophobicContact CZ2-CD1 3.74Å; W171-L175 HydrophobicContact CZ2-CD2 4.45Å; W171-L175 HydrophobicContact CZ2-CG 4.48Å; W171-L175 HydrophobicContact CZ3-CD1 4.31Å; W171-L175 WeakPolarHBondContact O-CG 3.46Å; W171-L175 PolarHBondContact O-N 2.82Å; W171-L175 VanDerWaalsContact O-N 3.08Å; L172-L175 PolarHBondContact O-N 3.01Å; Y173-L175 VanDerWaalsContact C-N 3.3Å; Y173-L175 PolarHBondContact O-N 3.17Å; L175-T177 PolarHBondContact O-N 3.36Å; L175-S178 WeakPolarHBondContact O-CB 3.49Å; L175-S178 PolarHBondContact O-N 2.91Å; L175-V183 HydrophobicContact CB-CG1 4.22Å; L175-V183 HydrophobicContact CD1-CG1 4.19Å; L175-V183 HydrophobicContact CD2-CG1 4.17Å; L175-V183 HydrophobicContact CG-CG1 4.43Å; L175-A187 HydrophobicContact CB-CB 3.98Å; L175-A187 HydrophobicContact CD1-CB 4.43Å |
| 176 | L | 94 | Very high | 91.9 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -64.9 | -14.4 | 173.2 | -58.4 | -176.3 | 0 | 0 | 0 | 113.5 | Y173 S174 V184 A187 L188 L226 I229 | Y173-L176 HydrophobicContact CD2-CD1 3.77Å; Y173-L176 HydrophobicContact CE2-CD1 4.13Å; Y173-L176 HydrophobicContact CG-CD1 4.49Å; Y173-L176 VanDerWaalsContact O-CB 3.26Å; Y173-L176 WeakPolarHBondContact O-CB 3.35Å; Y173-L176 VanDerWaalsContact O-CG 3.29Å; Y173-L176 WeakPolarHBondContact O-CG 3.43Å; Y173-L176 PolarHBondContact O-N 3.35Å; S174-L176 PolarHBondContact O-N 3.43Å; S174-L176 VanDerWaalsContact O-N 3.12Å; L176-V184 HydrophobicContact CD2-CG1 4.15Å; L176-A187 HydrophobicContact CD2-CB 4.23Å; L176-L188 HydrophobicContact CD1-CD2 4.14Å; L176-L188 HydrophobicContact CD2-CD2 3.5Å; L176-L188 HydrophobicContact CD2-CG 3.58Å; L176-L188 HydrophobicContact CG-CD2 4.49Å; L176-L226 HydrophobicContact CD1-CD2 3.91Å; L176-L226 HydrophobicContact CD1-CG 4.02Å; L176-I229 HydrophobicContact CB-CD1 4.14Å; L176-I229 HydrophobicContact CD2-CD1 4.39Å |
| 177 | T | 91.4 | Very high | 92.4 | Very high | 80 Ų | 80 | 39.8 Ų | 39.8 | 49% | 0.491 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -91.8 | 1.2 | 170.8 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | S174 L175 Y225 | S174-T177 PolarHBondContact O-N 3.42Å; S174-T177 VanDerWaalsContact O-N 3.15Å; S174-T177 PolarHBondContact O-OG1 3.4Å; L175-T177 PolarHBondContact O-N 3.36Å; T177-Y225 HydrophobicContact CG2-CD1 3.47Å; T177-Y225 VanDerWaalsContact CG2-CD1 3.47Å; T177-Y225 HydrophobicContact CG2-CD2 3.62Å; T177-Y225 HydrophobicContact CG2-CE1 3.38Å; T177-Y225 HydrophobicContact CG2-CE2 3.52Å; T177-Y225 HydrophobicContact CG2-CG 3.58Å |
| 178 | S | 90.5 | Very high | 92.7 | Very high | 29 Ų | 29 | 36.4 Ų | 36.4 | 20% | 0.203 | 17% | 0.173 | C | C | . | . | trans | -62.8 | 138.6 | 179.8 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | L175 F180 V184 | L175-S178 WeakPolarHBondContact O-CB 3.49Å; L175-S178 PolarHBondContact O-N 2.91Å; S178-F180 PolarHBondContact O-N 2.93Å; S178-F180 PolarHBondContact OG-N 3.29Å; S178-V184 VanDerWaalsContact O-CG2 3.3Å; S178-V184 WeakPolarHBondContact O-CG2 3.4Å | ||
| 179 | K | 88.3 | Confident | 92.6 | Very high | 203 Ų | 203 | 37.1 Ų | 37.1 | 88% | 0.883 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -67.7 | -15.1 | 172.5 | -63.3 | -175.2 | -179.9 | -177.8 | 0 | 112.7 | ||
| 180 | F | 90 | Very high | 92.7 | Very high | 91 Ų | 91 | 37 Ų | 37 | 40% | 0.399 | 18% | 0.176 | S | C | . | . | trans | -96.3 | 102.8 | -171.9 | -57.4 | -74.9 | 0 | 0 | 0 | 110.5 | Q139 S178 L182 V183 V184 | Q139-F180 HydrophobicContact CB-CB 3.97Å; Q139-F180 HydrophobicContact CB-CD1 4.01Å; Q139-F180 HydrophobicContact CB-CD2 3.43Å; Q139-F180 VanDerWaalsContact CB-CD2 3.43Å; Q139-F180 HydrophobicContact CB-CE1 4.37Å; Q139-F180 HydrophobicContact CB-CE2 3.83Å; Q139-F180 HydrophobicContact CB-CG 3.51Å; Q139-F180 HydrophobicContact CB-CZ 4.28Å; Q139-F180 HydrophobicContact CG-CB 4.36Å; Q139-F180 HydrophobicContact CG-CD1 3.65Å; Q139-F180 HydrophobicContact CG-CD2 4Å; Q139-F180 HydrophobicContact CG-CE1 3.84Å; Q139-F180 HydrophobicContact CG-CE2 4.15Å; Q139-F180 HydrophobicContact CG-CG 3.72Å; Q139-F180 HydrophobicContact CG-CZ 4.07Å; S178-F180 PolarHBondContact O-N 2.93Å; S178-F180 PolarHBondContact OG-N 3.29Å; F180-L182 PolarHBondContact O-N 3.36Å; F180-L182 VanDerWaalsContact O-N 3.09Å; F180-V183 HydrophobicContact CB-CB 4.32Å; F180-V183 HydrophobicContact CB-CG2 3.94Å; F180-V183 WeakPolarHBondContact O-CB 3.48Å; F180-V183 PolarHBondContact O-N 2.89Å; F180-V184 PolarHBondContact O-N 2.96Å | ||
| 181 | R | 87.1 | Confident | 92.7 | Very high | 128 Ų | 128 | 35 Ų | 35 | 48% | 0.483 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -44.5 | -43.7 | -175.6 | -166.8 | -174.1 | -172 | 115.2 | -21.6 | 113.7 | V184 K185 D236 L239 | R181-V184 PolarHBondContact O-N 3.23Å; R181-K185 WeakPolarHBondContact O-CB 3.5Å; R181-K185 PolarHBondContact O-N 2.76Å; R181-D236 VanDerWaalsContact CZ-CB 3.49Å; R181-D236 IonicContact CZ-OD2 3.72Å; R181-D236 IonicContact NE-OD2 3.93Å; R181-D236 PolarHBondContact NE-OD2 2.94Å; R181-D236 IonicContact NH2-OD1 2.8Å; R181-D236 IonicContact NH2-OD2 2.7Å; R181-D236 PolarHBondContact NH2-OD2 2.97Å; R181-L239 HydrophobicContact CG-CD1 3.94Å |
| 182 | L | 87.1 | Confident | 92.6 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 31% | 0.309 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.9 | -37.8 | -179.8 | -173.1 | 61.1 | 0 | 0 | 0 | 113 | N143 F180 K185 T186 | N143-L182 VanDerWaalsContact ND2-CD2 3.31Å; N143-L182 WeakPolarHBondContact ND2-CD2 3.35Å; N143-L182 WeakPolarHBondContact ND2-CG 3.43Å; F180-L182 PolarHBondContact O-N 3.36Å; F180-L182 VanDerWaalsContact O-N 3.09Å; L182-K185 PolarHBondContact O-N 2.9Å; L182-T186 PolarHBondContact O-N 2.68Å; L182-T186 PolarHBondContact O-OG1 2.89Å; L182-T186 VanDerWaalsContact O-OG1 3.12Å |
| 183 | V | 92.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -43.1 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | Q139 Q142 L146 L175 F180 A187 | Q139-V183 HydrophobicContact CB-CG2 4.03Å; Q142-V183 HydrophobicContact CB-CG1 4.47Å; L146-V183 HydrophobicContact CD1-CG1 3.96Å; L175-V183 HydrophobicContact CB-CG1 4.22Å; L175-V183 HydrophobicContact CD1-CG1 4.19Å; L175-V183 HydrophobicContact CD2-CG1 4.17Å; L175-V183 HydrophobicContact CG-CG1 4.43Å; F180-V183 HydrophobicContact CB-CB 4.32Å; F180-V183 HydrophobicContact CB-CG2 3.94Å; F180-V183 WeakPolarHBondContact O-CB 3.48Å; F180-V183 PolarHBondContact O-N 2.89Å; V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.42Å; V183-A187 PolarHBondContact O-N 3.17Å |
| 184 | V | 93.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 175 | -175.7 | 0 | 0 | 0 | 0 | 111 | L176 S178 F180 R181 A187 L188 I229 L239 | L176-V184 HydrophobicContact CD2-CG1 4.15Å; S178-V184 VanDerWaalsContact O-CG2 3.3Å; S178-V184 WeakPolarHBondContact O-CG2 3.4Å; F180-V184 PolarHBondContact O-N 2.96Å; R181-V184 PolarHBondContact O-N 3.23Å; V184-A187 PolarHBondContact O-N 2.86Å; V184-L188 HydrophobicContact CG1-CD1 4.27Å; V184-L188 WeakPolarHBondContact O-CG 3.15Å; V184-L188 PolarHBondContact O-N 3.32Å; V184-I229 HydrophobicContact CG1-CD1 3.8Å; V184-L239 HydrophobicContact CB-CD2 4.31Å; V184-L239 HydrophobicContact CG1-CD2 3.95Å |
| 185 | K | 92.6 | Very high | 92.2 | Very high | 45 Ų | 45 | 34.4 Ų | 34.4 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.4 | -51.6 | 178.4 | -173.3 | 173.5 | -176.7 | 166.8 | 0 | 111.4 | R181 L182 L188 K189 E238 L239 Y242 | R181-K185 WeakPolarHBondContact O-CB 3.5Å; R181-K185 PolarHBondContact O-N 2.76Å; L182-K185 PolarHBondContact O-N 2.9Å; K185-L188 PolarHBondContact O-N 3.44Å; K185-K189 WeakPolarHBondContact O-CG 3.3Å; K185-K189 PolarHBondContact O-N 3.1Å; K185-E238 WeakPolarHBondContact CE-OE2 3.22Å; K185-E238 IonicContact NZ-OE1 2.76Å; K185-E238 PolarHBondContact NZ-OE1 3.41Å; K185-E238 IonicContact NZ-OE2 2.73Å; K185-E238 PolarHBondContact NZ-OE2 2.96Å; K185-L239 HydrophobicContact CB-CD2 3.91Å; K185-Y242 HydrophobicContact CG-CE2 4.19Å |
| 186 | T | 92.9 | Very high | 91.9 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.1 | -37.5 | 179.8 | -50.4 | 0 | 0 | 0 | 0 | 111.9 | L146 L182 L188 K189 L190 | L146-T186 HydrophobicContact CB-CG2 3.74Å; L146-T186 HydrophobicContact CD1-CG2 4.38Å; L182-T186 PolarHBondContact O-N 2.68Å; L182-T186 PolarHBondContact O-OG1 2.89Å; L182-T186 VanDerWaalsContact O-OG1 3.12Å; T186-L188 PolarHBondContact O-N 2.78Å; T186-K189 PolarHBondContact O-N 3.28Å; T186-L190 WeakPolarHBondContact O-CG 3.49Å; T186-L190 PolarHBondContact O-N 3.37Å |
| 187 | A | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L172 L175 L176 V183 V184 Q191 | L172-A187 HydrophobicContact CD2-CB 4.45Å; L175-A187 HydrophobicContact CB-CB 3.98Å; L175-A187 HydrophobicContact CD1-CB 4.43Å; L176-A187 HydrophobicContact CD2-CB 4.23Å; V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.42Å; V183-A187 PolarHBondContact O-N 3.17Å; V184-A187 PolarHBondContact O-N 2.86Å; A187-Q191 WeakPolarHBondContact O-CG 3.49Å; A187-Q191 PolarHBondContact O-N 2.88Å; A187-Q191 VanDerWaalsContact O-N 3.13Å; A187-Q191 PolarHBondContact O-NE2 2.96Å |
| 188 | L | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -45.9 | 171.8 | -74.5 | 173.1 | 0 | 0 | 0 | 111.7 | L176 V184 K185 T186 L190 Q191 L192 L226 I229 L239 A243 L246 | L176-L188 HydrophobicContact CD1-CD2 4.14Å; L176-L188 HydrophobicContact CD2-CD2 3.5Å; L176-L188 HydrophobicContact CD2-CG 3.58Å; L176-L188 HydrophobicContact CG-CD2 4.49Å; V184-L188 HydrophobicContact CG1-CD1 4.27Å; V184-L188 WeakPolarHBondContact O-CG 3.15Å; V184-L188 PolarHBondContact O-N 3.32Å; K185-L188 PolarHBondContact O-N 3.44Å; T186-L188 PolarHBondContact O-N 2.78Å; L188-L190 VanDerWaalsContact C-N 3.34Å; L188-L190 PolarHBondContact O-N 3.42Å; L188-Q191 PolarHBondContact O-N 3.17Å; L188-L192 PolarHBondContact O-N 2.78Å; L188-L226 HydrophobicContact CD2-CD2 3.63Å; L188-I229 HydrophobicContact CD1-CD1 4.44Å; L188-L239 HydrophobicContact CD1-CD2 3.74Å; L188-A243 HydrophobicContact CD1-CB 4.39Å; L188-A243 HydrophobicContact CD2-CB 4.44Å; L188-L246 HydrophobicContact CD2-CD2 4.04Å |
| 189 | K | 93.6 | Very high | 90.6 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.4 | -44.4 | 177.9 | -78.2 | -172.6 | 167.8 | -170.7 | 0 | 112.3 | K185 T186 L192 L193 Y242 D1428 L1431 | K185-K189 WeakPolarHBondContact O-CG 3.3Å; K185-K189 PolarHBondContact O-N 3.1Å; T186-K189 PolarHBondContact O-N 3.28Å; K189-L192 PolarHBondContact O-N 3.25Å; K189-L193 PolarHBondContact O-N 2.91Å; K189-Y242 VanDerWaalsContact CE-CZ 3.46Å; K189-Y242 WeakPolarHBondContact CE-OH 3.44Å; K189-Y242 HydrophobicContact CG-CE1 4.37Å; K189-D1428 IonicContact NZ-OD1 3.11Å; K189-D1428 PolarHBondContact NZ-OD1 3.01Å; K189-D1428 IonicContact NZ-OD2 2.74Å; K189-D1428 PolarHBondContact NZ-OD2 3.07Å; K189-L1431 HydrophobicContact CB-CD1 3.76Å; K189-L1431 HydrophobicContact CD-CD1 3.56Å; K189-L1431 HydrophobicContact CG-CD1 3.59Å |
| 190 | L | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.7 | -38 | 177.2 | -63.3 | -177.9 | 0 | 0 | 0 | 113.1 | L146 L149 M153 L172 T186 L188 L192 L193 F194 | L146-L190 HydrophobicContact CB-CD1 4.36Å; L146-L190 HydrophobicContact CD2-CD1 3.87Å; L149-L190 HydrophobicContact CB-CD1 4.31Å; L149-L190 HydrophobicContact CD2-CD1 4.04Å; L149-L190 HydrophobicContact CG-CD1 4.14Å; M153-L190 HydrophobicContact CE-CB 4.49Å; M153-L190 WeakPolarHBondContact CE-O 2.85Å; M153-L190 HydrophobicContact SD-CB 4.24Å; M153-L190 HydrophobicContact SD-CD2 4.19Å; L172-L190 HydrophobicContact CD1-CB 4.06Å; L172-L190 HydrophobicContact CD2-CB 4.28Å; L172-L190 HydrophobicContact CD2-CD1 3.99Å; T186-L190 WeakPolarHBondContact O-CG 3.49Å; T186-L190 PolarHBondContact O-N 3.37Å; L188-L190 VanDerWaalsContact C-N 3.34Å; L188-L190 PolarHBondContact O-N 3.42Å; L190-L192 VanDerWaalsContact C-N 3.32Å; L190-L192 PolarHBondContact O-N 2.9Å; L190-L193 PolarHBondContact O-N 2.86Å; L190-F194 PolarHBondContact O-N 3.41Å |
| 191 | Q | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -37.1 | 173.3 | -78.8 | 164.3 | 90.1 | 0 | 0 | 112 | L172 A187 L188 F194 V195 F205 L246 | L172-Q191 HydrophobicContact CB-CG 3.98Å; L172-Q191 HydrophobicContact CD1-CG 4.41Å; L172-Q191 PolarHBondContact O-NE2 2.78Å; A187-Q191 WeakPolarHBondContact O-CG 3.49Å; A187-Q191 PolarHBondContact O-N 2.88Å; A187-Q191 VanDerWaalsContact O-N 3.13Å; A187-Q191 PolarHBondContact O-NE2 2.96Å; L188-Q191 PolarHBondContact O-N 3.17Å; Q191-F194 PolarHBondContact O-N 3.43Å; Q191-V195 WeakPolarHBondContact O-CG2 3.27Å; Q191-V195 PolarHBondContact O-N 3.4Å; Q191-V195 VanDerWaalsContact O-N 3.11Å; Q191-F205 HydrophobicContact CB-CE2 4.42Å; Q191-F205 HydrophobicContact CG-CE2 3.99Å; Q191-F205 HydrophobicContact CG-CZ 4.45Å; Q191-F205 VanDerWaalsContact OE1-CE2 3.28Å; Q191-L246 HydrophobicContact CB-CD1 4.15Å; Q191-L246 HydrophobicContact CB-CD2 3.74Å |
| 192 | L | 92.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.5 | -46.3 | 175.7 | -168.4 | 63.8 | 0 | 0 | 0 | 111.4 | L188 K189 L190 F194 V195 D196 T245 L246 K249 L1431 | L188-L192 PolarHBondContact O-N 2.78Å; K189-L192 PolarHBondContact O-N 3.25Å; L190-L192 VanDerWaalsContact C-N 3.32Å; L190-L192 PolarHBondContact O-N 2.9Å; L192-F194 VanDerWaalsContact C-N 3.27Å; L192-F194 PolarHBondContact O-N 3.29Å; L192-V195 PolarHBondContact O-N 3.41Å; L192-D196 WeakPolarHBondContact O-CB 3.27Å; L192-D196 PolarHBondContact O-N 3.4Å; L192-T245 HydrophobicContact CD1-CG2 4.11Å; L192-T245 HydrophobicContact CD2-CG2 4.14Å; L192-L246 HydrophobicContact CD1-CB 4.24Å; L192-L246 HydrophobicContact CD1-CD1 4.31Å; L192-K249 HydrophobicContact CD1-CB 4.45Å; L192-K249 HydrophobicContact CD1-CD 4.05Å; L192-K249 HydrophobicContact CD1-CG 4.36Å; L192-L1431 HydrophobicContact CB-CD2 4.22Å; L192-L1431 HydrophobicContact CD2-CD2 4Å; L192-L1431 HydrophobicContact CG-CD2 4.33Å |
| 193 | L | 90.9 | Very high | 90.6 | Very high | 19 Ų | 19 | 26 Ų | 26 | 10% | 0.099 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.8 | -39.4 | 174.1 | -176.6 | 68.2 | 0 | 0 | 0 | 112.2 | M153 M159 K189 L190 Y197 L1427 C1430 | M153-L193 HydrophobicContact CB-CD2 3.92Å; M153-L193 HydrophobicContact CE-CD2 4.37Å; M159-L193 HydrophobicContact CE-CD2 4.39Å; M159-L193 HydrophobicContact CE-CG 3.92Å; K189-L193 PolarHBondContact O-N 2.91Å; L190-L193 PolarHBondContact O-N 2.86Å; L193-Y197 PolarHBondContact O-N 2.99Å; L193-L1427 HydrophobicContact CD2-CD1 3.9Å; L193-C1430 HydrophobicContact CD1-CB 4.19Å |
| 194 | F | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 175.9 | -179.9 | -100.1 | 0 | 0 | 0 | 112.8 | M153 M159 V162 I163 L169 L190 Q191 L192 D196 N201 I204 F205 | M153-F194 HydrophobicContact CE-CB 3.89Å; M159-F194 HydrophobicContact SD-CD2 3.79Å; M159-F194 HydrophobicContact SD-CE2 4.48Å; V162-F194 HydrophobicContact CB-CD2 4.49Å; V162-F194 HydrophobicContact CG1-CD2 3.73Å; V162-F194 HydrophobicContact CG1-CE2 3.92Å; I163-F194 HydrophobicContact CB-CE2 4.32Å; I163-F194 HydrophobicContact CG1-CE2 3.56Å; I163-F194 HydrophobicContact CG1-CZ 4.1Å; L169-F194 HydrophobicContact CD1-CD1 4.11Å; L169-F194 HydrophobicContact CD1-CE1 3.46Å; L169-F194 VanDerWaalsContact CD1-CE1 3.46Å; L169-F194 HydrophobicContact CD1-CE2 4.16Å; L169-F194 HydrophobicContact CD1-CZ 3.51Å; L169-F194 HydrophobicContact CD2-CB 4.3Å; L169-F194 HydrophobicContact CD2-CD1 3.63Å; L169-F194 HydrophobicContact CD2-CD2 3.84Å; L169-F194 HydrophobicContact CD2-CE1 3.85Å; L169-F194 HydrophobicContact CD2-CE2 4.05Å; L169-F194 HydrophobicContact CD2-CG 3.63Å; L169-F194 HydrophobicContact CD2-CZ 4.08Å; L169-F194 HydrophobicContact CG-CE1 4.31Å; L169-F194 HydrophobicContact CG-CZ 4.37Å; L190-F194 PolarHBondContact O-N 3.41Å; Q191-F194 PolarHBondContact O-N 3.43Å; L192-F194 VanDerWaalsContact C-N 3.27Å; L192-F194 PolarHBondContact O-N 3.29Å; F194-D196 VanDerWaalsContact C-N 3.34Å; F194-N201 HydrophobicContact CD1-CB 4.05Å; F194-N201 HydrophobicContact CE1-CB 3.64Å; F194-N201 WeakPolarHBondContact CE1-O 3.38Å; F194-N201 HydrophobicContact CE2-CB 4.49Å; F194-N201 HydrophobicContact CZ-CB 3.87Å; F194-N201 VanDerWaalsContact O-CB 3.23Å; F194-N201 WeakPolarHBondContact O-CB 3.29Å; F194-N201 PolarHBondContact O-ND2 3.23Å; F194-I204 HydrophobicContact CE1-CB 4.34Å; F194-I204 HydrophobicContact CE1-CG2 4.46Å; F194-I204 HydrophobicContact CZ-CB 4.26Å; F194-I204 HydrophobicContact CZ-CG2 4.13Å; F194-F205 HydrophobicContact CD1-CB 4.37Å; F194-F205 HydrophobicContact CE1-CB 4.27Å |
| 195 | V | 91.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.4 | -30.5 | -177.7 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | Q191 L192 A202 F205 L246 K249 | Q191-V195 WeakPolarHBondContact O-CG2 3.27Å; Q191-V195 PolarHBondContact O-N 3.4Å; Q191-V195 VanDerWaalsContact O-N 3.11Å; L192-V195 PolarHBondContact O-N 3.41Å; V195-A202 HydrophobicContact CG1-CB 4.2Å; V195-F205 HydrophobicContact CG2-CB 3.9Å; V195-F205 HydrophobicContact CG2-CD1 3.73Å; V195-F205 HydrophobicContact CG2-CE1 4.47Å; V195-F205 HydrophobicContact CG2-CG 3.89Å; V195-L246 HydrophobicContact CB-CD1 4.33Å; V195-L246 HydrophobicContact CG2-CD1 3.93Å; V195-K249 HydrophobicContact CG1-CB 4.08Å |
| 196 | D | 87.3 | Confident | 90.6 | Very high | 73 Ų | 73 | 24 Ų | 24 | 39% | 0.39 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -79.1 | -24.4 | -177.6 | -154.7 | 41.1 | 0 | 0 | 0 | 114 | L192 F194 A198 K249 S1434 | L192-D196 WeakPolarHBondContact O-CB 3.27Å; L192-D196 PolarHBondContact O-N 3.4Å; F194-D196 VanDerWaalsContact C-N 3.34Å; D196-A198 PolarHBondContact O-N 3.23Å; D196-K249 WeakPolarHBondContact OD1-CD 3.26Å; D196-K249 IonicContact OD1-NZ 2.77Å; D196-K249 PolarHBondContact OD1-NZ 3.2Å; D196-K249 IonicContact OD2-NZ 2.98Å; D196-K249 PolarHBondContact OD2-NZ 2.98Å; D196-S1434 WeakPolarHBondContact OD2-CB 3.11Å; D196-S1434 PolarHBondContact OD2-OG 3.31Å |
| 197 | Y | 85.1 | Confident | 90.5 | Very high | 86 Ų | 86 | 25.9 Ų | 25.9 | 34% | 0.337 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -64.7 | -32.8 | -176.2 | 175.7 | -103.5 | 0 | 0 | 0 | 114.4 | M159 I163 L193 I1322 | M159-Y197 HydrophobicContact CB-CE1 4.44Å; M159-Y197 HydrophobicContact CE-CG 4.27Å; M159-Y197 HydrophobicContact CG-CD1 3.5Å; M159-Y197 VanDerWaalsContact CG-CD1 3.5Å; M159-Y197 HydrophobicContact CG-CD2 4.04Å; M159-Y197 HydrophobicContact CG-CE1 3.66Å; M159-Y197 HydrophobicContact CG-CE2 4.2Å; M159-Y197 HydrophobicContact CG-CG 3.67Å; M159-Y197 HydrophobicContact SD-CG 4.48Å; I163-Y197 HydrophobicContact CD1-CD1 3.88Å; I163-Y197 HydrophobicContact CD1-CE1 3.76Å; L193-Y197 PolarHBondContact O-N 2.99Å; Y197-I1322 HydrophobicContact CD2-CD1 3.78Å; Y197-I1322 HydrophobicContact CD2-CG1 4.26Å; Y197-I1322 HydrophobicContact CD2-CG2 3.82Å; Y197-I1322 HydrophobicContact CE2-CB 4.39Å; Y197-I1322 HydrophobicContact CE2-CD1 3.66Å; Y197-I1322 HydrophobicContact CE2-CG1 3.74Å; Y197-I1322 HydrophobicContact CE2-CG2 3.76Å |
| 198 | A | 83.8 | Confident | 90.4 | Very high | 36 Ų | 36 | 26 Ų | 26 | 30% | 0.298 | 13% | 0.128 | S | C | . | . | trans | -158.8 | 139.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D196 M200 N201 | D196-A198 PolarHBondContact O-N 3.23Å; A198-M200 PolarHBondContact O-N 3.17Å; A198-M200 VanDerWaalsContact O-N 3.1Å; A198-N201 VanDerWaalsContact O-CB 3.28Å; A198-N201 WeakPolarHBondContact O-CB 3.49Å; A198-N201 PolarHBondContact O-N 2.86Å | ||
| 199 | E | 80.6 | Confident | 90.3 | Very high | 146 Ų | 146 | 26 Ų | 26 | 68% | 0.682 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -53.8 | -38 | -178.4 | -60.9 | -171.3 | 167.8 | 0 | 0 | 112.9 | N201 A202 | E199-N201 PolarHBondContact O-N 3.08Å; E199-A202 WeakPolarHBondContact O-CB 3.3Å; E199-A202 PolarHBondContact O-N 3.49Å |
| 200 | M | 82.2 | Confident | 90.2 | Very high | 79 Ų | 79 | 29.2 Ų | 29.2 | 39% | 0.389 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64.2 | -25.1 | 178.4 | -68.7 | 179.4 | 60.7 | 0 | 0 | 113.7 | A198 A202 M203 I204 L341 | A198-M200 PolarHBondContact O-N 3.17Å; A198-M200 VanDerWaalsContact O-N 3.1Å; M200-A202 PolarHBondContact O-N 2.82Å; M200-M203 PolarHBondContact O-N 2.91Å; M200-I204 PolarHBondContact O-N 3.03Å; M200-L341 HydrophobicContact CE-CB 4.06Å; M200-L341 HydrophobicContact CE-CD1 4.47Å; M200-L341 HydrophobicContact CE-CG 4.13Å |
| 201 | N | 89.9 | Confident | 90 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -29.3 | 179.4 | -73.4 | 5 | 0 | 0 | 0 | 111.9 | I163 F194 A198 E199 M203 I204 F205 | I163-N201 WeakPolarHBondContact CD1-OD1 3.35Å; F194-N201 HydrophobicContact CD1-CB 4.05Å; F194-N201 HydrophobicContact CE1-CB 3.64Å; F194-N201 WeakPolarHBondContact CE1-O 3.38Å; F194-N201 HydrophobicContact CE2-CB 4.49Å; F194-N201 HydrophobicContact CZ-CB 3.87Å; F194-N201 VanDerWaalsContact O-CB 3.23Å; F194-N201 WeakPolarHBondContact O-CB 3.29Å; F194-N201 PolarHBondContact O-ND2 3.23Å; A198-N201 VanDerWaalsContact O-CB 3.28Å; A198-N201 WeakPolarHBondContact O-CB 3.49Å; A198-N201 PolarHBondContact O-N 2.86Å; E199-N201 PolarHBondContact O-N 3.08Å; N201-M203 VanDerWaalsContact C-N 3.26Å; N201-M203 PolarHBondContact O-N 3.14Å; N201-I204 PolarHBondContact O-N 3.32Å; N201-I204 VanDerWaalsContact O-N 3.13Å; N201-F205 WeakPolarHBondContact O-CB 3.39Å; N201-F205 PolarHBondContact O-N 2.97Å |
| 202 | A | 90.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.9 | -40.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | V195 E199 M200 F205 V206 T250 | V195-A202 HydrophobicContact CG1-CB 4.2Å; E199-A202 WeakPolarHBondContact O-CB 3.3Å; E199-A202 PolarHBondContact O-N 3.49Å; M200-A202 PolarHBondContact O-N 2.82Å; A202-F205 PolarHBondContact O-N 3.46Å; A202-V206 VanDerWaalsContact O-CG2 3.25Å; A202-V206 WeakPolarHBondContact O-CG2 3.48Å; A202-V206 PolarHBondContact O-N 3.34Å; A202-T250 HydrophobicContact CB-CG2 4.3Å |
| 203 | M | 90.2 | Very high | 89.7 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.039 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.1 | -29.6 | 178.2 | -69.6 | -66.5 | -77.3 | 0 | 0 | 112.9 | M200 N201 K207 I254 P255 T259 L341 | M200-M203 PolarHBondContact O-N 2.91Å; N201-M203 VanDerWaalsContact C-N 3.26Å; N201-M203 PolarHBondContact O-N 3.14Å; M203-K207 WeakPolarHBondContact O-CB 3.47Å; M203-K207 WeakPolarHBondContact O-CG 3.49Å; M203-K207 PolarHBondContact O-N 3.25Å; M203-I254 HydrophobicContact SD-CB 4.44Å; M203-I254 HydrophobicContact SD-CG1 4.06Å; M203-I254 HydrophobicContact SD-CG2 4.14Å; M203-P255 HydrophobicContact CG-CG 4.42Å; M203-T259 HydrophobicContact CE-CG2 4.06Å; M203-T259 HydrophobicContact SD-CG2 4.02Å; M203-L341 HydrophobicContact CG-CD1 4.39Å |
| 204 | I | 90.5 | Very high | 89.7 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.3 | -39.3 | 172.6 | -57.3 | 175.4 | 0 | 0 | 0 | 110.1 | I163 L169 F194 M200 N201 S208 | I163-I204 HydrophobicContact CG2-CD1 3.76Å; L169-I204 HydrophobicContact CD1-CG2 3.83Å; F194-I204 HydrophobicContact CE1-CB 4.34Å; F194-I204 HydrophobicContact CE1-CG2 4.46Å; F194-I204 HydrophobicContact CZ-CB 4.26Å; F194-I204 HydrophobicContact CZ-CG2 4.13Å; M200-I204 PolarHBondContact O-N 3.03Å; N201-I204 PolarHBondContact O-N 3.32Å; N201-I204 VanDerWaalsContact O-N 3.13Å; I204-S208 WeakPolarHBondContact O-CB 3.2Å; I204-S208 PolarHBondContact O-N 3.44Å; I204-S208 PolarHBondContact O-OG 3.14Å |
| 205 | F | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -50.3 | 176.2 | -180 | -122.6 | 0 | 0 | 0 | 112.1 | Y173 Q191 F194 V195 N201 A202 K207 S208 V209 W223 L246 T250 | Y173-F205 HydrophobicContact CD2-CZ 4.46Å; Q191-F205 HydrophobicContact CB-CE2 4.42Å; Q191-F205 HydrophobicContact CG-CE2 3.99Å; Q191-F205 HydrophobicContact CG-CZ 4.45Å; Q191-F205 VanDerWaalsContact OE1-CE2 3.28Å; F194-F205 HydrophobicContact CD1-CB 4.37Å; F194-F205 HydrophobicContact CE1-CB 4.27Å; V195-F205 HydrophobicContact CG2-CB 3.9Å; V195-F205 HydrophobicContact CG2-CD1 3.73Å; V195-F205 HydrophobicContact CG2-CE1 4.47Å; V195-F205 HydrophobicContact CG2-CG 3.89Å; N201-F205 WeakPolarHBondContact O-CB 3.39Å; N201-F205 PolarHBondContact O-N 2.97Å; A202-F205 PolarHBondContact O-N 3.46Å; F205-K207 VanDerWaalsContact C-N 3.3Å; F205-K207 PolarHBondContact O-N 3.33Å; F205-S208 WeakPolarHBondContact O-CA 2.81Å; F205-S208 WeakPolarHBondContact O-CB 3.35Å; F205-S208 PolarHBondContact O-N 2.99Å; F205-V209 HydrophobicContact CD2-CG2 4.34Å; F205-V209 HydrophobicContact CE1-CG2 4.44Å; F205-V209 HydrophobicContact CE2-CG2 3.91Å; F205-V209 HydrophobicContact CZ-CG2 3.97Å; F205-V209 PolarHBondContact O-N 3.49Å; F205-W223 HydrophobicContact CD1-CH2 4.24Å; F205-W223 HydrophobicContact CD1-CZ3 4.38Å; F205-W223 HydrophobicContact CE1-CH2 4.09Å; F205-W223 AromaticContact CE1-CZ3 3.78Å; F205-W223 HydrophobicContact CE1-CZ3 3.78Å; F205-W223 HydrophobicContact CZ-CZ3 4.41Å; F205-L246 HydrophobicContact CD1-CD1 4.48Å; F205-L246 HydrophobicContact CE1-CD1 3.91Å; F205-L246 HydrophobicContact CE1-CD2 4.19Å; F205-L246 HydrophobicContact CE1-CG 4.04Å; F205-L246 HydrophobicContact CZ-CD1 4.34Å; F205-L246 HydrophobicContact CZ-CD2 3.97Å; F205-L246 HydrophobicContact CZ-CG 4.33Å; F205-T250 HydrophobicContact CD1-CG2 4.02Å |
| 206 | V | 93.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -49.9 | -51.3 | 173.9 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | A202 S208 V209 E210 W223 T250 I254 V263 | A202-V206 VanDerWaalsContact O-CG2 3.25Å; A202-V206 WeakPolarHBondContact O-CG2 3.48Å; A202-V206 PolarHBondContact O-N 3.34Å; V206-S208 VanDerWaalsContact C-N 3.29Å; V206-S208 PolarHBondContact O-N 3.35Å; V206-V209 PolarHBondContact O-N 3.21Å; V206-E210 WeakPolarHBondContact O-CG 3.4Å; V206-E210 PolarHBondContact O-N 3.28Å; V206-W223 HydrophobicContact CB-CH2 4.48Å; V206-W223 HydrophobicContact CB-CZ2 4.2Å; V206-W223 HydrophobicContact CG1-CZ2 4.25Å; V206-W223 HydrophobicContact CG2-CH2 3.91Å; V206-W223 HydrophobicContact CG2-CZ2 3.84Å; V206-T250 HydrophobicContact CG2-CG2 3.59Å; V206-I254 HydrophobicContact CG2-CD1 4.24Å; V206-V263 HydrophobicContact CG1-CG2 4.05Å; V206-V263 HydrophobicContact CG2-CG2 4.28Å |
| 207 | K | 91.8 | Very high | 88.4 | Confident | 61 Ų | 61 | 44.5 Ų | 44.5 | 27% | 0.265 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -71.1 | -23.3 | -179 | -68.3 | 177.5 | -177 | -176.5 | 0 | 113.3 | M203 F205 A211 M345 | M203-K207 WeakPolarHBondContact O-CB 3.47Å; M203-K207 WeakPolarHBondContact O-CG 3.49Å; M203-K207 PolarHBondContact O-N 3.25Å; F205-K207 VanDerWaalsContact C-N 3.3Å; F205-K207 PolarHBondContact O-N 3.33Å; K207-A211 WeakPolarHBondContact O-CB 3.48Å; K207-A211 PolarHBondContact O-N 2.94Å; K207-M345 HydrophobicContact CD-CE 3.6Å; K207-M345 HydrophobicContact CD-SD 3.84Å; K207-M345 PolarHBondContact NZ-SD 2.9Å |
| 208 | S | 92.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.7 | -40.5 | 171.6 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | R170 I204 F205 V206 Y212 | R170-S208 WeakPolarHBondContact CG-O 3.22Å; I204-S208 WeakPolarHBondContact O-CB 3.2Å; I204-S208 PolarHBondContact O-N 3.44Å; I204-S208 PolarHBondContact O-OG 3.14Å; F205-S208 WeakPolarHBondContact O-CA 2.81Å; F205-S208 WeakPolarHBondContact O-CB 3.35Å; F205-S208 PolarHBondContact O-N 2.99Å; V206-S208 VanDerWaalsContact C-N 3.29Å; V206-S208 PolarHBondContact O-N 3.35Å; S208-Y212 WeakPolarHBondContact O-CB 3.36Å; S208-Y212 PolarHBondContact O-N 3.09Å |
| 209 | V | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -50.5 | 172.1 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | Y173 F205 V206 A211 Y212 H213 P222 W223 | Y173-V209 HydrophobicContact CD2-CG2 3.71Å; Y173-V209 HydrophobicContact CE1-CG1 4.21Å; Y173-V209 HydrophobicContact CE2-CG1 4Å; Y173-V209 HydrophobicContact CE2-CG2 3.81Å; Y173-V209 HydrophobicContact CG-CG2 4.12Å; F205-V209 HydrophobicContact CD2-CG2 4.34Å; F205-V209 HydrophobicContact CE1-CG2 4.44Å; F205-V209 HydrophobicContact CE2-CG2 3.91Å; F205-V209 HydrophobicContact CZ-CG2 3.97Å; F205-V209 PolarHBondContact O-N 3.49Å; V206-V209 PolarHBondContact O-N 3.21Å; V209-A211 PolarHBondContact O-N 3.3Å; V209-Y212 PolarHBondContact O-N 3.38Å; V209-H213 PolarHBondContact O-CD2 3.26Å; V209-H213 VanDerWaalsContact O-CD2 3.32Å; V209-H213 PolarHBondContact O-N 2.99Å; V209-H213 VanDerWaalsContact O-N 3.11Å; V209-P222 HydrophobicContact CG1-CB 4.35Å; V209-W223 HydrophobicContact CB-CH2 4.39Å; V209-W223 HydrophobicContact CB-CZ2 4.32Å; V209-W223 HydrophobicContact CG1-CD2 4.18Å; V209-W223 HydrophobicContact CG1-CE3 4.47Å; V209-W223 HydrophobicContact CG1-CZ2 4.36Å; V209-W223 HydrophobicContact CG2-CH2 4.11Å; V209-W223 HydrophobicContact CG2-CZ3 4.2Å |
| 210 | E | 91.4 | Very high | 88.2 | Confident | 83 Ų | 83 | 41 Ų | 41 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.3 | -48.2 | 176.3 | -70.6 | 175.8 | 157.2 | 0 | 0 | 111.7 | V206 Y212 H213 A214 | V206-E210 WeakPolarHBondContact O-CG 3.4Å; V206-E210 PolarHBondContact O-N 3.28Å; E210-Y212 PolarHBondContact O-N 2.88Å; E210-H213 PolarHBondContact O-N 3.12Å; E210-A214 VanDerWaalsContact O-CB 3.32Å; E210-A214 WeakPolarHBondContact O-CB 3.31Å; E210-A214 PolarHBondContact O-N 2.86Å |
| 211 | A | 89.9 | Confident | 88.4 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67 | -32.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K207 V209 N215 M354 | K207-A211 WeakPolarHBondContact O-CB 3.48Å; K207-A211 PolarHBondContact O-N 2.94Å; V209-A211 PolarHBondContact O-N 3.3Å; A211-N215 WeakPolarHBondContact O-CB 3.26Å; A211-N215 PolarHBondContact O-N 3.33Å; A211-N215 VanDerWaalsContact O-N 3.15Å; A211-N215 PolarHBondContact O-ND2 2.99Å; A211-M354 HydrophobicContact CB-CE 4.28Å |
| 212 | Y | 91.9 | Very high | 88.4 | Confident | 40 Ų | 40 | 44.6 Ų | 44.6 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -50.7 | 174.4 | 179.7 | -99.2 | 0 | 0 | 0 | 110.8 | R170 Y173 S174 S208 V209 E210 N215 T216 Y225 | R170-Y212 HydrophobicContact CB-CD2 4.13Å; Y173-Y212 AromaticContact CD1-CD1 3.8Å; Y173-Y212 HydrophobicContact CD1-CD1 3.8Å; Y173-Y212 HydrophobicContact CD1-CE1 4.32Å; Y173-Y212 HydrophobicContact CD1-CG 4.17Å; Y173-Y212 AromaticContact CE1-CD1 3.86Å; Y173-Y212 HydrophobicContact CE1-CD1 3.86Å; Y173-Y212 HydrophobicContact CE1-CE1 4.37Å; S174-Y212 WeakPolarHBondContact CB-OH 3.26Å; S208-Y212 WeakPolarHBondContact O-CB 3.36Å; S208-Y212 PolarHBondContact O-N 3.09Å; V209-Y212 PolarHBondContact O-N 3.38Å; E210-Y212 PolarHBondContact O-N 2.88Å; Y212-N215 PolarHBondContact O-N 3.36Å; Y212-T216 WeakPolarHBondContact O-CB 3.48Å; Y212-T216 PolarHBondContact O-N 3.14Å; Y212-T216 PolarHBondContact O-OG1 3.45Å; Y212-Y225 HydrophobicContact CD1-CE2 4.36Å; Y212-Y225 AromaticContact CE1-CE2 3.58Å; Y212-Y225 HydrophobicContact CE1-CE2 3.58Å; Y212-Y225 AromaticContact CE1-CZ 3.94Å |
| 213 | H | 90.9 | Very high | 88.5 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.2 | -36.2 | -179.8 | -76.5 | -82.6 | 0 | 0 | 0 | 112.8 | Y173 V209 E210 N215 T216 S219 G220 R221 P222 S224 | Y173-H213 AromaticContact CE1-CD2 3.82Å; Y173-H213 AromaticContact CE1-NE2 3.23Å; Y173-H213 WeakPolarHBondContact CE1-NE2 3.39Å; Y173-H213 AromaticContact CZ-NE2 3.46Å; Y173-H213 PolarHBondContact OH-NE2 3.25Å; V209-H213 PolarHBondContact O-CD2 3.26Å; V209-H213 VanDerWaalsContact O-CD2 3.32Å; V209-H213 PolarHBondContact O-N 2.99Å; V209-H213 VanDerWaalsContact O-N 3.11Å; E210-H213 PolarHBondContact O-N 3.12Å; H213-N215 VanDerWaalsContact C-N 3.35Å; H213-N215 PolarHBondContact O-N 2.87Å; H213-T216 CarbonylContact O-C 3.48Å; H213-T216 PolarHBondContact O-N 2.84Å; H213-S219 WeakPolarHBondContact CA-OG 3.48Å; H213-S219 PolarHBondContact CE1-O 2.94Å; H213-S219 PolarHBondContact ND1-OG 2.69Å; H213-G220 PolarHBondContact ND1-O 3.22Å; H213-R221 PolarHBondContact CE1-O 3.23Å; H213-R221 PolarHBondContact ND1-O 3.33Å; H213-R221 PolarHBondContact NE2-O 3.06Å; H213-P222 HydrophobicContact CB-CG 4.17Å; H213-P222 VanDerWaalsContact CD2-CA 3.45Å; H213-P222 WeakPolarHBondContact CD2-CA 3.33Å; H213-S224 PolarHBondContact CE1-OG 3.38Å |
| 214 | A | 89.1 | Confident | 88.6 | Confident | 82 Ų | 82 | 45 Ų | 45 | 68% | 0.678 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.3 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E210 | E210-A214 VanDerWaalsContact O-CB 3.32Å; E210-A214 WeakPolarHBondContact O-CB 3.31Å; E210-A214 PolarHBondContact O-N 2.86Å |
| 215 | N | 86.3 | Confident | 88.8 | Confident | 117 Ų | 117 | 45.5 Ų | 45.5 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -88.7 | -16.7 | 178.5 | -69 | -61.8 | 0 | 0 | 0 | 113.6 | A211 Y212 H213 P217 | A211-N215 WeakPolarHBondContact O-CB 3.26Å; A211-N215 PolarHBondContact O-N 3.33Å; A211-N215 VanDerWaalsContact O-N 3.15Å; A211-N215 PolarHBondContact O-ND2 2.99Å; Y212-N215 PolarHBondContact O-N 3.36Å; H213-N215 VanDerWaalsContact C-N 3.35Å; H213-N215 PolarHBondContact O-N 2.87Å; N215-P217 WeakPolarHBondContact O-CD 3.47Å |
| 216 | T | 85.9 | Confident | 88.8 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | trans | -118.8 | 78.8 | -174.8 | -44.2 | 0 | 0 | 0 | 0 | 110 | Y212 H213 T218 S219 | Y212-T216 WeakPolarHBondContact O-CB 3.48Å; Y212-T216 PolarHBondContact O-N 3.14Å; Y212-T216 PolarHBondContact O-OG1 3.45Å; H213-T216 CarbonylContact O-C 3.48Å; H213-T216 PolarHBondContact O-N 2.84Å; T216-T218 PolarHBondContact O-N 3.44Å; T216-S219 VanDerWaalsContact O-CB 3.23Å; T216-S219 WeakPolarHBondContact O-CB 3.32Å; T216-S219 PolarHBondContact O-N 3.36Å; T216-S219 PolarHBondContact O-OG 3.15Å | ||
| 217 | P | 73.8 | Confident | 88.7 | Confident | 122 Ų | 122 | 45.9 Ų | 45.9 | 79% | 0.792 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -63 | -17.3 | -170.3 | 23.7 | -34.5 | 0 | 0 | 0 | 114.9 | N215 | N215-P217 WeakPolarHBondContact O-CD 3.47Š|
| 218 | T | 80.7 | Confident | 88.7 | Confident | 136 Ų | 136 | 47.5 Ų | 47.5 | 83% | 0.834 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -80.7 | -11.2 | 173.4 | 48.8 | 0 | 0 | 0 | 0 | 114.2 | T216 G220 | T216-T218 PolarHBondContact O-N 3.44Å; T218-G220 VanDerWaalsContact C-N 3.29Å; T218-G220 PolarHBondContact O-N 3.28Å |
| 219 | S | 79.5 | Confident | 88.7 | Confident | 8 Ų | 8 | 48 Ų | 48 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -75.6 | -11.5 | -175 | 64 | 0 | 0 | 0 | 0 | 114.7 | H213 T216 Y225 | H213-S219 WeakPolarHBondContact CA-OG 3.48Å; H213-S219 PolarHBondContact CE1-O 2.94Å; H213-S219 PolarHBondContact ND1-OG 2.69Å; T216-S219 VanDerWaalsContact O-CB 3.23Å; T216-S219 WeakPolarHBondContact O-CB 3.32Å; T216-S219 PolarHBondContact O-N 3.36Å; T216-S219 PolarHBondContact O-OG 3.15Å; S219-Y225 WeakPolarHBondContact CA-OH 3.35Å; S219-Y225 WeakPolarHBondContact CB-OH 3.34Å; S219-Y225 VanDerWaalsContact O-CE1 3.26Å; S219-Y225 WeakPolarHBondContact O-CE1 3.49Å |
| 220 | G | 84 | Confident | 88.6 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 51% | 0.505 | 28% | 0.281 | S | S | . | . | trans | 82.1 | -152.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H213 T218 | H213-G220 PolarHBondContact ND1-O 3.22Å; T218-G220 VanDerWaalsContact C-N 3.29Å; T218-G220 PolarHBondContact O-N 3.28Å | ||
| 221 | R | 87.7 | Confident | 88.5 | Confident | 121 Ų | 121 | 48.9 Ų | 48.9 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -84 | 153.6 | -178.1 | -71.8 | 174.5 | 162.3 | -143.7 | -5.4 | 112 | H213 S224 E269 M270 | H213-R221 PolarHBondContact CE1-O 3.23Å; H213-R221 PolarHBondContact ND1-O 3.33Å; H213-R221 PolarHBondContact NE2-O 3.06Å; R221-S224 WeakPolarHBondContact O-CB 3.33Å; R221-S224 PolarHBondContact O-N 2.86Å; R221-S224 PolarHBondContact O-OG 3.02Å; R221-E269 IonicContact CZ-OE2 2.76Å; R221-E269 VanDerWaalsContact CZ-OE2 3.3Å; R221-E269 IonicContact NH1-OE2 2.67Å; R221-E269 PolarHBondContact NH1-OE2 2.93Å; R221-E269 IonicContact NH2-OE2 2.88Å; R221-E269 PolarHBondContact NH2-OE2 3.27Å; R221-M270 HydrophobicContact CB-SD 3.95Å |
| 222 | P | 89.6 | Confident | 88.3 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.2 | 143.7 | 167.4 | -29.3 | 36.5 | 0 | 0 | 0 | 112.9 | V209 H213 S224 M270 | V209-P222 HydrophobicContact CG1-CB 4.35Å; H213-P222 HydrophobicContact CB-CG 4.17Å; H213-P222 VanDerWaalsContact CD2-CA 3.45Å; H213-P222 WeakPolarHBondContact CD2-CA 3.33Å; P222-S224 PolarHBondContact O-N 2.97Å; P222-M270 WeakPolarHBondContact O-CE 3.3Å |
| 223 | W | 93.2 | Very high | 87.1 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | -5.3 | -179.1 | -44.9 | 96.3 | 0 | 0 | 0 | 116.5 | Y173 F205 V206 V209 Y225 L226 I227 L247 T250 V263 L267 M270 | Y173-W223 WeakPolarHBondContact OH-CA 3.09Å; Y173-W223 PolarHBondContact OH-N 3.25Å; F205-W223 HydrophobicContact CD1-CH2 4.24Å; F205-W223 HydrophobicContact CD1-CZ3 4.38Å; F205-W223 HydrophobicContact CE1-CH2 4.09Å; F205-W223 AromaticContact CE1-CZ3 3.78Å; F205-W223 HydrophobicContact CE1-CZ3 3.78Å; F205-W223 HydrophobicContact CZ-CZ3 4.41Å; V206-W223 HydrophobicContact CB-CH2 4.48Å; V206-W223 HydrophobicContact CB-CZ2 4.2Å; V206-W223 HydrophobicContact CG1-CZ2 4.25Å; V206-W223 HydrophobicContact CG2-CH2 3.91Å; V206-W223 HydrophobicContact CG2-CZ2 3.84Å; V209-W223 HydrophobicContact CB-CH2 4.39Å; V209-W223 HydrophobicContact CB-CZ2 4.32Å; V209-W223 HydrophobicContact CG1-CD2 4.18Å; V209-W223 HydrophobicContact CG1-CE3 4.47Å; V209-W223 HydrophobicContact CG1-CZ2 4.36Å; V209-W223 HydrophobicContact CG2-CH2 4.11Å; V209-W223 HydrophobicContact CG2-CZ3 4.2Å; W223-Y225 PolarHBondContact O-N 3.13Å; W223-Y225 VanDerWaalsContact O-N 3.1Å; W223-L226 HydrophobicContact CE3-CD1 3.93Å; W223-L226 HydrophobicContact CZ3-CD1 4.26Å; W223-L226 PolarHBondContact O-N 3.32Å; W223-L226 VanDerWaalsContact O-N 3.11Å; W223-I227 PolarHBondContact O-N 3.25Å; W223-I227 VanDerWaalsContact O-N 3.08Å; W223-L247 HydrophobicContact CD2-CD2 4.49Å; W223-L247 HydrophobicContact CE3-CD2 3.67Å; W223-L247 HydrophobicContact CZ3-CD2 4.15Å; W223-T250 HydrophobicContact CH2-CG2 4.03Å; W223-V263 HydrophobicContact CD2-CG1 4.39Å; W223-V263 HydrophobicContact CZ2-CG1 4.06Å; W223-V263 HydrophobicContact CZ2-CG2 4.16Å; W223-L267 HydrophobicContact CB-CD2 3.59Å; W223-L267 HydrophobicContact CG-CD2 4.04Å; W223-M270 HydrophobicContact CB-CE 3.88Å |
| 224 | S | 92.4 | Very high | 86.1 | Confident | 14 Ų | 14 | 60 Ų | 60 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.6 | -27.5 | -176.6 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | H213 R221 P222 I227 N228 | H213-S224 PolarHBondContact CE1-OG 3.38Å; R221-S224 WeakPolarHBondContact O-CB 3.33Å; R221-S224 PolarHBondContact O-N 2.86Å; R221-S224 PolarHBondContact O-OG 3.02Å; P222-S224 PolarHBondContact O-N 2.97Å; S224-I227 PolarHBondContact O-N 2.75Å; S224-N228 WeakPolarHBondContact O-CB 3.44Å; S224-N228 PolarHBondContact O-N 3.15Å; S224-N228 PolarHBondContact O-ND2 3.4Å |
| 225 | Y | 93.5 | Very high | 85.5 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 9% | 0.09 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70 | -40.7 | 178.2 | -63.5 | -7.8 | 0 | 0 | 0 | 112.2 | Y173 T177 Y212 S219 W223 N228 I229 | Y173-Y225 AromaticContact CD1-CD2 3.84Å; Y173-Y225 HydrophobicContact CD1-CD2 3.84Å; Y173-Y225 HydrophobicContact CD1-CE2 4.2Å; Y173-Y225 AromaticContact CE1-CD2 3.32Å; Y173-Y225 HydrophobicContact CE1-CD2 3.32Å; Y173-Y225 AromaticContact CE1-CE2 3.8Å; Y173-Y225 HydrophobicContact CE1-CE2 3.8Å; Y173-Y225 HydrophobicContact CE1-CG 4.03Å; Y173-Y225 AromaticContact CZ-CD2 3.73Å; Y173-Y225 AromaticContact CZ-CG 4Å; Y173-Y225 WeakPolarHBondContact O-CD2 3.4Å; T177-Y225 HydrophobicContact CG2-CD1 3.47Å; T177-Y225 VanDerWaalsContact CG2-CD1 3.47Å; T177-Y225 HydrophobicContact CG2-CD2 3.62Å; T177-Y225 HydrophobicContact CG2-CE1 3.38Å; T177-Y225 HydrophobicContact CG2-CE2 3.52Å; T177-Y225 HydrophobicContact CG2-CG 3.58Å; Y212-Y225 HydrophobicContact CD1-CE2 4.36Å; Y212-Y225 AromaticContact CE1-CE2 3.58Å; Y212-Y225 HydrophobicContact CE1-CE2 3.58Å; Y212-Y225 AromaticContact CE1-CZ 3.94Å; S219-Y225 WeakPolarHBondContact CA-OH 3.35Å; S219-Y225 WeakPolarHBondContact CB-OH 3.34Å; S219-Y225 VanDerWaalsContact O-CE1 3.26Å; S219-Y225 WeakPolarHBondContact O-CE1 3.49Å; W223-Y225 PolarHBondContact O-N 3.13Å; W223-Y225 VanDerWaalsContact O-N 3.1Å; Y225-N228 PolarHBondContact O-N 3.19Å; Y225-I229 WeakPolarHBondContact O-CG1 3.22Å; Y225-I229 PolarHBondContact O-N 3.09Å; Y225-I229 VanDerWaalsContact O-N 3.15Å |
| 226 | L | 93.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 173.8 | -71.6 | 163.1 | 0 | 0 | 0 | 111.1 | Y173 L176 L188 W223 N228 I229 L230 A243 L246 L247 | Y173-L226 HydrophobicContact CE2-CD1 4.37Å; L176-L226 HydrophobicContact CD1-CD2 3.91Å; L176-L226 HydrophobicContact CD1-CG 4.02Å; L188-L226 HydrophobicContact CD2-CD2 3.63Å; W223-L226 HydrophobicContact CE3-CD1 3.93Å; W223-L226 HydrophobicContact CZ3-CD1 4.26Å; W223-L226 PolarHBondContact O-N 3.32Å; W223-L226 VanDerWaalsContact O-N 3.11Å; L226-N228 VanDerWaalsContact C-N 3.33Å; L226-N228 PolarHBondContact O-N 3.09Å; L226-I229 PolarHBondContact O-N 2.88Å; L226-L230 WeakPolarHBondContact O-CG 3.27Å; L226-L230 PolarHBondContact O-N 2.79Å; L226-A243 HydrophobicContact CD2-CB 3.75Å; L226-L246 HydrophobicContact CD1-CD2 4.34Å; L226-L246 HydrophobicContact CD2-CD2 4.24Å; L226-L247 HydrophobicContact CD1-CD2 3.92Å; L226-L247 HydrophobicContact CD1-CG 4.31Å |
| 227 | I | 92.8 | Very high | 85.4 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 171.9 | -67.9 | -59 | 0 | 0 | 0 | 111.8 | W223 S224 L230 N231 L267 M270 M272 I275 | W223-I227 PolarHBondContact O-N 3.25Å; W223-I227 VanDerWaalsContact O-N 3.08Å; S224-I227 PolarHBondContact O-N 2.75Å; I227-L230 PolarHBondContact O-N 3.11Å; I227-N231 WeakPolarHBondContact O-CB 3.48Å; I227-N231 PolarHBondContact O-N 3.41Å; I227-L267 HydrophobicContact CD1-CD2 3.83Å; I227-L267 HydrophobicContact CG1-CD2 4.08Å; I227-M270 HydrophobicContact CG1-CB 4.28Å; I227-M270 HydrophobicContact CG1-CE 3.78Å; I227-M270 HydrophobicContact CG1-SD 4.45Å; I227-M270 HydrophobicContact CG2-CB 4.23Å; I227-M272 HydrophobicContact CD1-CB 4.45Å; I227-M272 HydrophobicContact CD1-SD 3.61Å; I227-I275 HydrophobicContact CD1-CD1 4.39Å; I227-I275 HydrophobicContact CG2-CD1 3.8Å |
| 228 | N | 91.2 | Very high | 86 | Confident | 95 Ų | 95 | 52 Ų | 52 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.8 | -74.5 | -22.6 | 0 | 0 | 0 | 112.4 | S224 Y225 L226 N232 | S224-N228 WeakPolarHBondContact O-CB 3.44Å; S224-N228 PolarHBondContact O-N 3.15Å; S224-N228 PolarHBondContact O-ND2 3.4Å; Y225-N228 PolarHBondContact O-N 3.19Å; L226-N228 VanDerWaalsContact C-N 3.33Å; L226-N228 PolarHBondContact O-N 3.09Å; N228-N232 WeakPolarHBondContact O-CB 3.3Å; N228-N232 PolarHBondContact O-N 3.45Å |
| 229 | I | 91.5 | Very high | 86.5 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 173.4 | -68.1 | 166.8 | 0 | 0 | 0 | 110.2 | L176 V184 L188 Y225 L226 S235 L239 L240 A243 | L176-I229 HydrophobicContact CB-CD1 4.14Å; L176-I229 HydrophobicContact CD2-CD1 4.39Å; V184-I229 HydrophobicContact CG1-CD1 3.8Å; L188-I229 HydrophobicContact CD1-CD1 4.44Å; Y225-I229 WeakPolarHBondContact O-CG1 3.22Å; Y225-I229 PolarHBondContact O-N 3.09Å; Y225-I229 VanDerWaalsContact O-N 3.15Å; L226-I229 PolarHBondContact O-N 2.88Å; I229-S235 PolarHBondContact O-OG 3.35Å; I229-L239 HydrophobicContact CG2-CB 4.13Å; I229-L240 VanDerWaalsContact O-CD2 3.3Å; I229-L240 WeakPolarHBondContact O-CD2 3.21Å; I229-A243 HydrophobicContact CG2-CB 4.01Å |
| 230 | L | 91 | Very high | 87.1 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.6 | -32.1 | -178.3 | -68.4 | 171.1 | 0 | 0 | 0 | 114 | L226 I227 L240 A243 M244 L247 M272 I275 H279 | L226-L230 WeakPolarHBondContact O-CG 3.27Å; L226-L230 PolarHBondContact O-N 2.79Å; I227-L230 PolarHBondContact O-N 3.11Å; L230-L240 HydrophobicContact CD2-CB 4.48Å; L230-L240 HydrophobicContact CD2-CD2 4.11Å; L230-L240 WeakPolarHBondContact CD2-O 3.24Å; L230-A243 HydrophobicContact CD2-CB 4.13Å; L230-A243 HydrophobicContact CG-CB 4.22Å; L230-M244 HydrophobicContact CD1-SD 4.12Å; L230-M244 HydrophobicContact CD2-CB 4.18Å; L230-M244 HydrophobicContact CD2-SD 4.47Å; L230-L247 HydrophobicContact CD1-CD1 3.73Å; L230-M272 HydrophobicContact CD1-CE 4.11Å; L230-M272 HydrophobicContact CD1-SD 4.39Å; L230-I275 HydrophobicContact CB-CG2 3.99Å; L230-H279 PolarHBondContact O-NE2 3.12Å |
| 231 | N | 90.1 | Very high | 87.4 | Confident | 99 Ų | 99 | 44.7 Ų | 44.7 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -82.1 | -21.5 | -179.6 | -171.5 | 57.2 | 0 | 0 | 0 | 113.3 | I227 E233 I275 | I227-N231 WeakPolarHBondContact O-CB 3.48Å; I227-N231 PolarHBondContact O-N 3.41Å; N231-E233 PolarHBondContact O-N 3.07Å; N231-I275 HydrophobicContact CB-CD1 3.83Å; N231-I275 HydrophobicContact CB-CG1 4.17Å |
| 232 | N | 84.8 | Confident | 87.7 | Confident | 79 Ų | 79 | 40.6 Ų | 40.6 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | trans | -77.7 | 108.5 | 178.4 | 173.6 | 28.9 | 0 | 0 | 0 | 111.3 | N228 A234 S235 | N228-N232 WeakPolarHBondContact O-CB 3.3Å; N228-N232 PolarHBondContact O-N 3.45Å; N232-A234 PolarHBondContact O-N 3.33Å; N232-A234 VanDerWaalsContact O-N 3.16Å; N232-A234 PolarHBondContact OD1-N 2.81Å; N232-A234 VanDerWaalsContact OD1-N 3.13Å; N232-S235 WeakPolarHBondContact CB-OG 3.46Å; N232-S235 PolarHBondContact ND2-N 3.47Å; N232-S235 PolarHBondContact ND2-OG 2.88Å; N232-S235 VanDerWaalsContact ND2-OG 3.15Å; N232-S235 VanDerWaalsContact O-CB 3.26Å; N232-S235 WeakPolarHBondContact O-CB 3.44Å; N232-S235 PolarHBondContact O-N 3.5Å; N232-S235 PolarHBondContact O-OG 2.96Å | ||
| 233 | E | 67.2 | Low | 87.9 | Confident | 133 Ų | 133 | 38.8 Ų | 38.8 | 62% | 0.621 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.6 | -179.6 | -52.6 | -157.7 | 120.3 | 0 | 0 | 114.4 | N231 C278 K282 | N231-E233 PolarHBondContact O-N 3.07Å; E233-C278 PolarHBondContact OE1-SG 2.91Å; E233-K282 WeakPolarHBondContact OE1-CE 3.42Å; E233-K282 IonicContact OE1-NZ 3.62Å; E233-K282 PolarHBondContact OE1-NZ 3.35Å |
| 234 | A | 70.1 | Confident | 88 | Confident | 79 Ų | 79 | 38.6 Ų | 38.6 | 65% | 0.653 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 5.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N232 | N232-A234 PolarHBondContact O-N 3.33Å; N232-A234 VanDerWaalsContact O-N 3.16Å; N232-A234 PolarHBondContact OD1-N 2.81Å; N232-A234 VanDerWaalsContact OD1-N 3.13Å |
| 235 | S | 76.1 | Confident | 88 | Confident | 23 Ų | 23 | 38 Ų | 38 | 16% | 0.161 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -61.2 | 159.1 | 171.3 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | I229 N232 | I229-S235 PolarHBondContact O-OG 3.35Å; N232-S235 WeakPolarHBondContact CB-OG 3.46Å; N232-S235 PolarHBondContact ND2-N 3.47Å; N232-S235 PolarHBondContact ND2-OG 2.88Å; N232-S235 VanDerWaalsContact ND2-OG 3.15Å; N232-S235 VanDerWaalsContact O-CB 3.26Å; N232-S235 WeakPolarHBondContact O-CB 3.44Å; N232-S235 PolarHBondContact O-N 3.5Å; N232-S235 PolarHBondContact O-OG 2.96Å |
| 236 | D | 82.4 | Confident | 88 | Confident | 31 Ų | 31 | 37 Ų | 37 | 17% | 0.166 | 20% | 0.201 | C | C | . | . | trans | -62.7 | 142 | 167.1 | -153.4 | -39.4 | 0 | 0 | 0 | 110.7 | R181 E238 L239 L240 | R181-D236 VanDerWaalsContact CZ-CB 3.49Å; R181-D236 IonicContact CZ-OD2 3.72Å; R181-D236 IonicContact NE-OD2 3.93Å; R181-D236 PolarHBondContact NE-OD2 2.94Å; R181-D236 IonicContact NH2-OD1 2.8Å; R181-D236 IonicContact NH2-OD2 2.7Å; R181-D236 PolarHBondContact NH2-OD2 2.97Å; D236-E238 PolarHBondContact O-N 3.19Å; D236-E238 PolarHBondContact OD1-N 3.03Å; D236-L239 HydrophobicContact CB-CB 3.81Å; D236-L239 HydrophobicContact CB-CD1 3.84Å; D236-L239 HydrophobicContact CB-CG 3.61Å; D236-L239 PolarHBondContact O-N 3.46Å; D236-L239 VanDerWaalsContact O-N 3.12Å; D236-L240 WeakPolarHBondContact O-CG 3.4Å; D236-L240 PolarHBondContact O-N 3.01Å | ||
| 237 | L | 87.2 | Confident | 88.1 | Confident | 69 Ų | 69 | 37 Ų | 37 | 36% | 0.361 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.7 | -42.2 | 167.4 | 172.6 | 59.5 | 0 | 0 | 0 | 110.5 | L239 L240 I241 D286 L289 | L237-L239 VanDerWaalsContact C-N 3.33Å; L237-L239 PolarHBondContact O-N 2.87Å; L237-L240 PolarHBondContact O-N 3.3Å; L237-I241 HydrophobicContact CD1-CD1 3.85Å; L237-I241 HydrophobicContact CD1-CG1 4.17Å; L237-I241 HydrophobicContact CG-CD1 3.88Å; L237-I241 WeakPolarHBondContact O-CG1 3.46Å; L237-I241 PolarHBondContact O-N 3.26Å; L237-D286 HydrophobicContact CD1-CB 3.58Å; L237-D286 HydrophobicContact CD2-CB 3.85Å; L237-D286 HydrophobicContact CG-CB 4.37Å; L237-L289 HydrophobicContact CD1-CB 3.97Å; L237-L289 HydrophobicContact CD1-CD2 3.99Å |
| 238 | E | 86.9 | Confident | 88.1 | Confident | 68 Ų | 68 | 37 Ų | 37 | 32% | 0.318 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 175.1 | -83 | -164.1 | -107.5 | 0 | 0 | 112.2 | K185 D236 I241 Y242 | K185-E238 WeakPolarHBondContact CE-OE2 3.22Å; K185-E238 IonicContact NZ-OE1 2.76Å; K185-E238 PolarHBondContact NZ-OE1 3.41Å; K185-E238 IonicContact NZ-OE2 2.73Å; K185-E238 PolarHBondContact NZ-OE2 2.96Å; D236-E238 PolarHBondContact O-N 3.19Å; D236-E238 PolarHBondContact OD1-N 3.03Å; E238-I241 PolarHBondContact O-N 3.43Å; E238-Y242 HydrophobicContact CB-CD2 4.28Å; E238-Y242 HydrophobicContact CB-CE2 3.8Å; E238-Y242 HydrophobicContact CG-CE2 4.32Å; E238-Y242 WeakPolarHBondContact O-CD2 3.39Å; E238-Y242 PolarHBondContact O-N 3.27Å; E238-Y242 VanDerWaalsContact OE2-CE2 3.25Å; E238-Y242 WeakPolarHBondContact OE2-CE2 3.36Å; E238-Y242 PolarHBondContact OE2-OH 2.93Å |
| 239 | L | 91.4 | Very high | 88.1 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.063 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.3 | -37.3 | 178.8 | -70.7 | 177.8 | 0 | 0 | 0 | 111.6 | R181 V184 K185 L188 I229 D236 L237 A243 | R181-L239 HydrophobicContact CG-CD1 3.94Å; V184-L239 HydrophobicContact CB-CD2 4.31Å; V184-L239 HydrophobicContact CG1-CD2 3.95Å; K185-L239 HydrophobicContact CB-CD2 3.91Å; L188-L239 HydrophobicContact CD1-CD2 3.74Å; I229-L239 HydrophobicContact CG2-CB 4.13Å; D236-L239 HydrophobicContact CB-CB 3.81Å; D236-L239 HydrophobicContact CB-CD1 3.84Å; D236-L239 HydrophobicContact CB-CG 3.61Å; D236-L239 PolarHBondContact O-N 3.46Å; D236-L239 VanDerWaalsContact O-N 3.12Å; L237-L239 VanDerWaalsContact C-N 3.33Å; L237-L239 PolarHBondContact O-N 2.87Å; L239-A243 WeakPolarHBondContact O-CB 3.4Å; L239-A243 PolarHBondContact O-N 3.2Å |
| 240 | L | 92.2 | Very high | 88.2 | Confident | 13 Ų | 13 | 34 Ų | 34 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 172.7 | -63.5 | 173.6 | 0 | 0 | 0 | 110.8 | I229 L230 D236 L237 M244 L289 | I229-L240 VanDerWaalsContact O-CD2 3.3Å; I229-L240 WeakPolarHBondContact O-CD2 3.21Å; L230-L240 HydrophobicContact CD2-CB 4.48Å; L230-L240 HydrophobicContact CD2-CD2 4.11Å; L230-L240 WeakPolarHBondContact CD2-O 3.24Å; D236-L240 WeakPolarHBondContact O-CG 3.4Å; D236-L240 PolarHBondContact O-N 3.01Å; L237-L240 PolarHBondContact O-N 3.3Å; L240-M244 VanDerWaalsContact O-CB 3.27Å; L240-M244 WeakPolarHBondContact O-CB 3.2Å; L240-M244 PolarHBondContact O-N 3.3Å; L240-L289 HydrophobicContact CB-CD1 3.85Å; L240-L289 HydrophobicContact CB-CD2 3.94Å; L240-L289 HydrophobicContact CD1-CD2 3.85Å |
| 241 | I | 91.1 | Very high | 88.3 | Confident | 14 Ų | 14 | 34.2 Ų | 34.2 | 7% | 0.072 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -51 | 178.4 | -68.2 | 166.5 | 0 | 0 | 0 | 111.2 | L237 E238 A243 M244 T245 E288 L289 | L237-I241 HydrophobicContact CD1-CD1 3.85Å; L237-I241 HydrophobicContact CD1-CG1 4.17Å; L237-I241 HydrophobicContact CG-CD1 3.88Å; L237-I241 WeakPolarHBondContact O-CG1 3.46Å; L237-I241 PolarHBondContact O-N 3.26Å; E238-I241 PolarHBondContact O-N 3.43Å; I241-A243 PolarHBondContact O-N 2.93Å; I241-M244 PolarHBondContact O-N 3.36Å; I241-T245 VanDerWaalsContact O-CB 3.29Å; I241-T245 WeakPolarHBondContact O-CB 3.49Å; I241-T245 PolarHBondContact O-N 3.33Å; I241-T245 PolarHBondContact O-OG1 3.01Å; I241-E288 HydrophobicContact CD1-CB 4.05Å; I241-E288 HydrophobicContact CD1-CG 4.1Å; I241-E288 HydrophobicContact CG2-CG 4.15Å; I241-L289 HydrophobicContact CG1-CB 3.93Å; I241-L289 HydrophobicContact CG1-CD1 4.32Å |
| 242 | Y | 93 | Very high | 88.3 | Confident | 34 Ų | 34 | 31.8 Ų | 31.8 | 13% | 0.133 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 179.5 | -63.1 | -54.7 | 0 | 0 | 0 | 112.1 | K185 K189 E238 T245 L246 | K185-Y242 HydrophobicContact CG-CE2 4.19Å; K189-Y242 VanDerWaalsContact CE-CZ 3.46Å; K189-Y242 WeakPolarHBondContact CE-OH 3.44Å; K189-Y242 HydrophobicContact CG-CE1 4.37Å; E238-Y242 HydrophobicContact CB-CD2 4.28Å; E238-Y242 HydrophobicContact CB-CE2 3.8Å; E238-Y242 HydrophobicContact CG-CE2 4.32Å; E238-Y242 WeakPolarHBondContact O-CD2 3.39Å; E238-Y242 PolarHBondContact O-N 3.27Å; E238-Y242 VanDerWaalsContact OE2-CE2 3.25Å; E238-Y242 WeakPolarHBondContact OE2-CE2 3.36Å; E238-Y242 PolarHBondContact OE2-OH 2.93Å; Y242-T245 PolarHBondContact O-N 3.35Å; Y242-L246 VanDerWaalsContact O-CB 3.27Å; Y242-L246 WeakPolarHBondContact O-CB 3.5Å; Y242-L246 PolarHBondContact O-N 3.43Å |
| 243 | A | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L188 L226 I229 L230 L239 I241 L247 | L188-A243 HydrophobicContact CD1-CB 4.39Å; L188-A243 HydrophobicContact CD2-CB 4.44Å; L226-A243 HydrophobicContact CD2-CB 3.75Å; I229-A243 HydrophobicContact CG2-CB 4.01Å; L230-A243 HydrophobicContact CD2-CB 4.13Å; L230-A243 HydrophobicContact CG-CB 4.22Å; L239-A243 WeakPolarHBondContact O-CB 3.4Å; L239-A243 PolarHBondContact O-N 3.2Å; I241-A243 PolarHBondContact O-N 2.93Å; A243-L247 WeakPolarHBondContact O-CG 3.49Å; A243-L247 PolarHBondContact O-N 2.69Å |
| 244 | M | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.1 | -41.2 | 178 | -163.8 | 65.6 | -148 | 0 | 0 | 112.1 | L230 L240 I241 L247 N248 M272 L289 Q292 L293 Y296 | L230-M244 HydrophobicContact CD1-SD 4.12Å; L230-M244 HydrophobicContact CD2-CB 4.18Å; L230-M244 HydrophobicContact CD2-SD 4.47Å; L240-M244 VanDerWaalsContact O-CB 3.27Å; L240-M244 WeakPolarHBondContact O-CB 3.2Å; L240-M244 PolarHBondContact O-N 3.3Å; I241-M244 PolarHBondContact O-N 3.36Å; M244-L247 PolarHBondContact O-N 2.71Å; M244-N248 WeakPolarHBondContact O-CB 3.38Å; M244-N248 PolarHBondContact O-N 3.09Å; M244-N248 PolarHBondContact O-ND2 3.34Å; M244-M272 HydrophobicContact CE-CE 3.58Å; M244-M272 HydrophobicContact SD-CE 3.53Å; M244-M272 VanDerWaalsContact SD-CE 3.53Å; M244-L289 HydrophobicContact CB-CD1 4.5Å; M244-Q292 HydrophobicContact CB-CB 4.03Å; M244-Q292 HydrophobicContact CG-CB 3.61Å; M244-L293 HydrophobicContact CE-CD2 4.4Å; M244-L293 HydrophobicContact CG-CD2 4.26Å; M244-L293 HydrophobicContact SD-CD2 3.78Å; M244-Y296 HydrophobicContact CE-CD2 4.16Å; M244-Y296 HydrophobicContact CE-CG 3.81Å |
| 245 | T | 93.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 177.5 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | L192 I241 Y242 N248 K249 Q292 T1435 | L192-T245 HydrophobicContact CD1-CG2 4.11Å; L192-T245 HydrophobicContact CD2-CG2 4.14Å; I241-T245 VanDerWaalsContact O-CB 3.29Å; I241-T245 WeakPolarHBondContact O-CB 3.49Å; I241-T245 PolarHBondContact O-N 3.33Å; I241-T245 PolarHBondContact O-OG1 3.01Å; Y242-T245 PolarHBondContact O-N 3.35Å; T245-N248 PolarHBondContact O-N 3.06Å; T245-K249 HydrophobicContact CG2-CG 4.45Å; T245-K249 PolarHBondContact O-N 3.35Å; T245-Q292 VanDerWaalsContact OG1-CD 3.31Å; T245-T1435 HydrophobicContact CG2-CG2 4.16Å |
| 246 | L | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 174.4 | 178.6 | 59.6 | 0 | 0 | 0 | 112.1 | L188 Q191 L192 V195 F205 L226 Y242 T250 | L188-L246 HydrophobicContact CD2-CD2 4.04Å; Q191-L246 HydrophobicContact CB-CD1 4.15Å; Q191-L246 HydrophobicContact CB-CD2 3.74Å; L192-L246 HydrophobicContact CD1-CB 4.24Å; L192-L246 HydrophobicContact CD1-CD1 4.31Å; V195-L246 HydrophobicContact CB-CD1 4.33Å; V195-L246 HydrophobicContact CG2-CD1 3.93Å; F205-L246 HydrophobicContact CD1-CD1 4.48Å; F205-L246 HydrophobicContact CE1-CD1 3.91Å; F205-L246 HydrophobicContact CE1-CD2 4.19Å; F205-L246 HydrophobicContact CE1-CG 4.04Å; F205-L246 HydrophobicContact CZ-CD1 4.34Å; F205-L246 HydrophobicContact CZ-CD2 3.97Å; F205-L246 HydrophobicContact CZ-CG 4.33Å; L226-L246 HydrophobicContact CD1-CD2 4.34Å; L226-L246 HydrophobicContact CD2-CD2 4.24Å; Y242-L246 VanDerWaalsContact O-CB 3.27Å; Y242-L246 WeakPolarHBondContact O-CB 3.5Å; Y242-L246 PolarHBondContact O-N 3.43Å; L246-T250 VanDerWaalsContact O-CB 3.26Å; L246-T250 WeakPolarHBondContact O-CB 3.21Å; L246-T250 PolarHBondContact O-N 3.2Å; L246-T250 PolarHBondContact O-OG1 3.32Å |
| 247 | L | 95.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 172.7 | -72.4 | 174.8 | 0 | 0 | 0 | 111.3 | W223 L226 L230 A243 M244 T250 L251 L267 M272 | W223-L247 HydrophobicContact CD2-CD2 4.49Å; W223-L247 HydrophobicContact CE3-CD2 3.67Å; W223-L247 HydrophobicContact CZ3-CD2 4.15Å; L226-L247 HydrophobicContact CD1-CD2 3.92Å; L226-L247 HydrophobicContact CD1-CG 4.31Å; L230-L247 HydrophobicContact CD1-CD1 3.73Å; A243-L247 WeakPolarHBondContact O-CG 3.49Å; A243-L247 PolarHBondContact O-N 2.69Å; M244-L247 PolarHBondContact O-N 2.71Å; L247-T250 PolarHBondContact O-N 3.07Å; L247-L251 WeakPolarHBondContact O-CB 3.39Å; L247-L251 VanDerWaalsContact O-CG 3.28Å; L247-L251 WeakPolarHBondContact O-CG 3.28Å; L247-L251 PolarHBondContact O-N 3.29Å; L247-L267 HydrophobicContact CD1-CD2 4.4Å; L247-L267 HydrophobicContact CD2-CD1 4.29Å; L247-L267 HydrophobicContact CD2-CD2 4.09Å; L247-M272 HydrophobicContact CD1-CE 4.05Å |
| 248 | N | 93.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 16.5 Ų | 16.5 | 5% | 0.053 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | -179.1 | -76.8 | -22.7 | 0 | 0 | 0 | 112.6 | M244 T245 L251 N252 Q292 L295 | M244-N248 WeakPolarHBondContact O-CB 3.38Å; M244-N248 PolarHBondContact O-N 3.09Å; M244-N248 PolarHBondContact O-ND2 3.34Å; T245-N248 PolarHBondContact O-N 3.06Å; N248-L251 PolarHBondContact O-N 3.13Å; N248-N252 VanDerWaalsContact O-CB 3.29Å; N248-N252 WeakPolarHBondContact O-CB 3.4Å; N248-N252 PolarHBondContact O-N 3.07Å; N248-Q292 PolarHBondContact ND2-O 3.07Å; N248-Q292 PolarHBondContact ND2-OE1 3.39Å; N248-L295 HydrophobicContact CB-CD2 4.12Å |
| 249 | K | 91.1 | Very high | 91.6 | Very high | 45 Ų | 45 | 13.9 Ų | 13.9 | 20% | 0.196 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.8 | -71.4 | -153.7 | 170.4 | -169.3 | 0 | 112 | L192 V195 D196 T245 L251 N252 S253 S1434 | L192-K249 HydrophobicContact CD1-CB 4.45Å; L192-K249 HydrophobicContact CD1-CD 4.05Å; L192-K249 HydrophobicContact CD1-CG 4.36Å; V195-K249 HydrophobicContact CG1-CB 4.08Å; D196-K249 WeakPolarHBondContact OD1-CD 3.26Å; D196-K249 IonicContact OD1-NZ 2.77Å; D196-K249 PolarHBondContact OD1-NZ 3.2Å; D196-K249 IonicContact OD2-NZ 2.98Å; D196-K249 PolarHBondContact OD2-NZ 2.98Å; T245-K249 HydrophobicContact CG2-CG 4.45Å; T245-K249 PolarHBondContact O-N 3.35Å; K249-L251 PolarHBondContact O-N 3.2Å; K249-N252 PolarHBondContact O-N 3.47Å; K249-S253 PolarHBondContact O-N 3.23Å; K249-S253 VanDerWaalsContact O-N 3.11Å; K249-S253 PolarHBondContact O-OG 3.29Å; K249-S1434 VanDerWaalsContact CE-O 3.24Å; K249-S1434 WeakPolarHBondContact CE-O 3.35Å; K249-S1434 PolarHBondContact NZ-O 3.36Å; K249-S1434 PolarHBondContact NZ-OG 3.36Å |
| 250 | T | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.5 | -49.9 | 175.5 | -56.3 | 0 | 0 | 0 | 0 | 111 | A202 F205 V206 W223 L246 L247 S253 I254 | A202-T250 HydrophobicContact CB-CG2 4.3Å; F205-T250 HydrophobicContact CD1-CG2 4.02Å; V206-T250 HydrophobicContact CG2-CG2 3.59Å; W223-T250 HydrophobicContact CH2-CG2 4.03Å; L246-T250 VanDerWaalsContact O-CB 3.26Å; L246-T250 WeakPolarHBondContact O-CB 3.21Å; L246-T250 PolarHBondContact O-N 3.2Å; L246-T250 PolarHBondContact O-OG1 3.32Å; L247-T250 PolarHBondContact O-N 3.07Å; T250-S253 PolarHBondContact O-N 2.91Å; T250-I254 WeakPolarHBondContact O-CG1 3.49Å; T250-I254 PolarHBondContact O-N 2.92Å |
| 251 | L | 92.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 179.2 | -74.9 | 170.9 | 0 | 0 | 0 | 112.4 | L247 N248 K249 S253 I254 F260 V263 T264 L267 Y296 R326 | L247-L251 WeakPolarHBondContact O-CB 3.39Å; L247-L251 VanDerWaalsContact O-CG 3.28Å; L247-L251 WeakPolarHBondContact O-CG 3.28Å; L247-L251 PolarHBondContact O-N 3.29Å; N248-L251 PolarHBondContact O-N 3.13Å; K249-L251 PolarHBondContact O-N 3.2Å; L251-S253 VanDerWaalsContact C-N 3.33Å; L251-S253 PolarHBondContact O-N 2.92Å; L251-I254 HydrophobicContact CD2-CD1 4.24Å; L251-I254 PolarHBondContact O-N 3.28Å; L251-F260 HydrophobicContact CB-CD2 4.49Å; L251-F260 HydrophobicContact CB-CE2 4.19Å; L251-F260 HydrophobicContact CD2-CD2 4.1Å; L251-F260 HydrophobicContact CD2-CE2 4.13Å; L251-V263 HydrophobicContact CD2-CB 4.05Å; L251-V263 HydrophobicContact CD2-CG1 3.7Å; L251-T264 HydrophobicContact CD1-CG2 4.23Å; L251-T264 HydrophobicContact CD2-CG2 3.68Å; L251-L267 HydrophobicContact CD1-CD1 4.32Å; L251-Y296 HydrophobicContact CD1-CD2 3.79Å; L251-Y296 HydrophobicContact CD1-CE2 3.86Å; L251-R326 PolarHBondContact O-NH2 2.84Å |
| 252 | N | 90.5 | Very high | 91.6 | Very high | 48 Ų | 48 | 15 Ų | 15 | 26% | 0.257 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -61 | -42.9 | -179.1 | -161.2 | 53.3 | 0 | 0 | 0 | 111.6 | N248 K249 R322 R326 | N248-N252 VanDerWaalsContact O-CB 3.29Å; N248-N252 WeakPolarHBondContact O-CB 3.4Å; N248-N252 PolarHBondContact O-N 3.07Å; K249-N252 PolarHBondContact O-N 3.47Å; N252-R322 WeakPolarHBondContact OD1-CB 3.4Å; N252-R322 PolarHBondContact OD1-N 3.26Å; N252-R326 PolarHBondContact O-NH2 2.79Å |
| 253 | S | 88.6 | Confident | 91.6 | Very high | 25 Ų | 25 | 13.4 Ų | 13.4 | 18% | 0.175 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -81.8 | -7 | -177.2 | -56.9 | 0 | 0 | 0 | 0 | 115.5 | K249 T250 L251 P255 | K249-S253 PolarHBondContact O-N 3.23Å; K249-S253 VanDerWaalsContact O-N 3.11Å; K249-S253 PolarHBondContact O-OG 3.29Å; T250-S253 PolarHBondContact O-N 2.91Å; L251-S253 VanDerWaalsContact C-N 3.33Å; L251-S253 PolarHBondContact O-N 2.92Å; S253-P255 WeakPolarHBondContact O-CD 3.22Å |
| 254 | I | 90.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -63.8 | 125.6 | 170.8 | -70.5 | 165 | 0 | 0 | 0 | 109.3 | M203 V206 T250 L251 D256 T259 F260 V263 R326 | M203-I254 HydrophobicContact SD-CB 4.44Å; M203-I254 HydrophobicContact SD-CG1 4.06Å; M203-I254 HydrophobicContact SD-CG2 4.14Å; V206-I254 HydrophobicContact CG2-CD1 4.24Å; T250-I254 WeakPolarHBondContact O-CG1 3.49Å; T250-I254 PolarHBondContact O-N 2.92Å; L251-I254 HydrophobicContact CD2-CD1 4.24Å; L251-I254 PolarHBondContact O-N 3.28Å; I254-D256 WeakPolarHBondContact CG2-O 3.03Å; I254-T259 HydrophobicContact CD1-CG2 4.42Å; I254-T259 HydrophobicContact CG2-CG2 4.04Å; I254-F260 HydrophobicContact CG2-CB 4.13Å; I254-V263 HydrophobicContact CD1-CB 4.46Å; I254-V263 HydrophobicContact CD1-CG2 4.04Å; I254-R326 WeakPolarHBondContact O-CD 3.42Å; I254-R326 PolarHBondContact O-NE 3.03Å | ||
| 255 | P | 86.7 | Confident | 91.4 | Very high | 20 Ų | 20 | 14.2 Ų | 14.2 | 13% | 0.13 | 8% | 0.077 | C | C | . | . | trans | -81.1 | -28 | -173.3 | 30.7 | -35.5 | 0 | 0 | 0 | 114.3 | M203 S253 F332 | M203-P255 HydrophobicContact CG-CG 4.42Å; S253-P255 WeakPolarHBondContact O-CD 3.22Å; P255-F332 HydrophobicContact CB-CD1 4.27Å; P255-F332 HydrophobicContact CB-CD2 4.23Å; P255-F332 HydrophobicContact CB-CE1 3.84Å; P255-F332 HydrophobicContact CB-CE2 3.79Å; P255-F332 HydrophobicContact CB-CG 4.47Å; P255-F332 HydrophobicContact CB-CZ 3.58Å; P255-F332 HydrophobicContact CG-CD1 4.09Å; P255-F332 HydrophobicContact CG-CE1 3.52Å; P255-F332 HydrophobicContact CG-CE2 4.39Å; P255-F332 HydrophobicContact CG-CZ 3.71Å | ||
| 256 | D | 87.9 | Confident | 91.3 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.011 | 8% | 0.084 | C | C | . | . | B | Isolated β-bridge | trans | -114.5 | 149.7 | -173.2 | 82.8 | 79 | 0 | 0 | 0 | 114.4 | I254 D258 T259 F260 M327 R329 F332 | I254-D256 WeakPolarHBondContact CG2-O 3.03Å; D256-D258 WeakPolarHBondContact OD1-CB 3.33Å; D256-D258 PolarHBondContact OD1-N 3.2Å; D256-T259 PolarHBondContact OD1-N 2.8Å; D256-F260 WeakPolarHBondContact O-CB 3.42Å; D256-F260 PolarHBondContact O-N 2.75Å; D256-F260 VanDerWaalsContact O-N 3.13Å; D256-M327 WeakPolarHBondContact CA-O 3.45Å; D256-R329 HydrophobicContact CB-CB 4.2Å; D256-R329 WeakPolarHBondContact OD1-CB 3.4Å; D256-R329 IonicContact OD1-NE 3.69Å; D256-F332 HydrophobicContact CB-CB 4.11Å; D256-F332 HydrophobicContact CB-CD1 4.26Å; D256-F332 HydrophobicContact CB-CG 4.37Å |
| 257 | Q | 89.6 | Confident | 91.2 | Very high | 25 Ų | 25 | 15.3 Ų | 15.3 | 12% | 0.117 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -76.4 | -26.8 | -173 | -168.9 | 176.5 | 77.1 | 0 | 0 | 112.7 | Y261 E303 R326 M327 | Q257-Y261 HydrophobicContact CG-CD2 3.72Å; Q257-Y261 HydrophobicContact CG-CE2 3.46Å; Q257-Y261 VanDerWaalsContact CG-CE2 3.46Å; Q257-Y261 WeakPolarHBondContact O-CD2 3.4Å; Q257-Y261 PolarHBondContact O-N 2.94Å; Q257-E303 PolarHBondContact NE2-OE2 3.47Å; Q257-R326 HydrophobicContact CB-CB 3.83Å; Q257-M327 WeakPolarHBondContact CB-O 3.15Å; Q257-M327 PolarHBondContact N-O 2.87Å |
| 258 | D | 89.4 | Confident | 91 | Very high | 22 Ų | 22 | 16.2 Ų | 16.2 | 12% | 0.118 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.3 | -51.5 | 176.5 | -75.3 | -100.1 | 0 | 0 | 0 | 109.7 | D256 Y261 D262 R329 K365 R1461 | D256-D258 WeakPolarHBondContact OD1-CB 3.33Å; D256-D258 PolarHBondContact OD1-N 3.2Å; D258-Y261 PolarHBondContact O-N 2.83Å; D258-D262 PolarHBondContact O-N 3.12Å; D258-R329 HydrophobicContact CB-CB 3.92Å; D258-R329 WeakPolarHBondContact OD2-CB 3.48Å; D258-R329 PolarHBondContact OD2-N 3.45Å; D258-K365 IonicContact OD1-NZ 3.93Å; D258-K365 PolarHBondContact OD1-NZ 2.99Å; D258-R1461 PolarHBondContact O-NH1 3.2Å; D258-R1461 VanDerWaalsContact O-NH1 3.15Å |
| 259 | T | 90.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 8% | 0.08 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.7 | -30.3 | -177.2 | -73.4 | 0 | 0 | 0 | 0 | 112.9 | M203 I254 D256 Y261 D262 V263 | M203-T259 HydrophobicContact CE-CG2 4.06Å; M203-T259 HydrophobicContact SD-CG2 4.02Å; I254-T259 HydrophobicContact CD1-CG2 4.42Å; I254-T259 HydrophobicContact CG2-CG2 4.04Å; D256-T259 PolarHBondContact OD1-N 2.8Å; T259-Y261 PolarHBondContact O-N 3.05Å; T259-D262 PolarHBondContact O-N 2.67Å; T259-V263 PolarHBondContact O-N 2.69Å; T259-V263 VanDerWaalsContact O-N 3.11Å |
| 260 | F | 93.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.6 | -50.9 | 169.5 | 172.9 | -92.4 | 0 | 0 | 0 | 110.6 | L251 I254 D256 V263 T264 L300 E303 | L251-F260 HydrophobicContact CB-CD2 4.49Å; L251-F260 HydrophobicContact CB-CE2 4.19Å; L251-F260 HydrophobicContact CD2-CD2 4.1Å; L251-F260 HydrophobicContact CD2-CE2 4.13Å; I254-F260 HydrophobicContact CG2-CB 4.13Å; D256-F260 WeakPolarHBondContact O-CB 3.42Å; D256-F260 PolarHBondContact O-N 2.75Å; D256-F260 VanDerWaalsContact O-N 3.13Å; F260-V263 PolarHBondContact O-N 3.03Å; F260-T264 HydrophobicContact CD1-CG2 4.43Å; F260-T264 HydrophobicContact CE1-CG2 3.99Å; F260-T264 HydrophobicContact CE2-CG2 4.23Å; F260-T264 HydrophobicContact CZ-CG2 3.88Å; F260-T264 PolarHBondContact O-N 2.72Å; F260-T264 PolarHBondContact O-OG1 3.08Å; F260-L300 HydrophobicContact CE1-CD2 4.46Å; F260-E303 HydrophobicContact CD1-CB 4.39Å; F260-E303 HydrophobicContact CD1-CG 4.11Å; F260-E303 HydrophobicContact CE1-CB 3.86Å; F260-E303 HydrophobicContact CE1-CG 3.8Å; F260-E303 HydrophobicContact CZ-CB 4.42Å; F260-E303 HydrophobicContact CZ-CG 4.1Å |
| 261 | Y | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.6 | -34.1 | 177.9 | -72.4 | -57.2 | 0 | 0 | 0 | 113.3 | Q257 D258 T259 V263 T264 D265 E303 D304 R1461 S1463 | Q257-Y261 HydrophobicContact CG-CD2 3.72Å; Q257-Y261 HydrophobicContact CG-CE2 3.46Å; Q257-Y261 VanDerWaalsContact CG-CE2 3.46Å; Q257-Y261 WeakPolarHBondContact O-CD2 3.4Å; Q257-Y261 PolarHBondContact O-N 2.94Å; D258-Y261 PolarHBondContact O-N 2.83Å; T259-Y261 PolarHBondContact O-N 3.05Å; Y261-V263 PolarHBondContact O-N 2.8Å; Y261-T264 WeakPolarHBondContact CA-OG1 3.46Å; Y261-T264 PolarHBondContact O-N 3.15Å; Y261-T264 PolarHBondContact O-OG1 2.73Å; Y261-D265 WeakPolarHBondContact O-CB 3.44Å; Y261-D265 PolarHBondContact O-N 2.73Å; Y261-E303 VanDerWaalsContact OH-C 3.32Å; Y261-E303 PolarHBondContact OH-O 3.17Å; Y261-D304 PolarHBondContact OH-N 3.25Å; Y261-D304 PolarHBondContact OH-OD1 3.43Å; Y261-R1461 VanDerWaalsContact CB-CZ 3.47Å; Y261-R1461 HydrophobicContact CD2-CB 3.74Å; Y261-R1461 HydrophobicContact CD2-CG 3.54Å; Y261-R1461 HydrophobicContact CE2-CB 3.94Å; Y261-R1461 HydrophobicContact CE2-CG 4.08Å; Y261-R1461 WeakPolarHBondContact CE2-O 3.47Å; Y261-R1461 HydrophobicContact CG-CG 4.02Å; Y261-R1461 PolarHBondContact OH-O 3.22Å; Y261-S1463 VanDerWaalsContact CE1-N 3.27Å |
| 262 | D | 90.3 | Very high | 90.3 | Very high | 60 Ų | 60 | 22.1 Ų | 22.1 | 32% | 0.321 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -57.4 | -35.6 | 173.9 | -67.5 | -29.9 | 0 | 0 | 0 | 111.6 | D258 T259 R329 R1461 | D258-D262 PolarHBondContact O-N 3.12Å; T259-D262 PolarHBondContact O-N 2.67Å; D262-R329 IonicContact OD2-NH2 2.8Å; D262-R329 PolarHBondContact OD2-NH2 2.93Å; D262-R1461 IonicContact OD1-CZ 2.7Å; D262-R1461 VanDerWaalsContact OD1-CZ 3.24Å; D262-R1461 IonicContact OD1-NH1 3.78Å; D262-R1461 PolarHBondContact OD1-NH1 3.41Å; D262-R1461 IonicContact OD1-NH2 3.86Å; D262-R1461 PolarHBondContact OD1-NH2 2.95Å; D262-R1461 IonicContact OD2-NH1 3.05Å |
| 263 | V | 93 | Very high | 90.2 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -76.1 | -50.2 | 172.8 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | V206 W223 L251 I254 T259 F260 Y261 D265 C266 L267 | V206-V263 HydrophobicContact CG1-CG2 4.05Å; V206-V263 HydrophobicContact CG2-CG2 4.28Å; W223-V263 HydrophobicContact CD2-CG1 4.39Å; W223-V263 HydrophobicContact CZ2-CG1 4.06Å; W223-V263 HydrophobicContact CZ2-CG2 4.16Å; L251-V263 HydrophobicContact CD2-CB 4.05Å; L251-V263 HydrophobicContact CD2-CG1 3.7Å; I254-V263 HydrophobicContact CD1-CB 4.46Å; I254-V263 HydrophobicContact CD1-CG2 4.04Å; T259-V263 PolarHBondContact O-N 2.69Å; T259-V263 VanDerWaalsContact O-N 3.11Å; F260-V263 PolarHBondContact O-N 3.03Å; Y261-V263 PolarHBondContact O-N 2.8Å; V263-D265 PolarHBondContact O-N 3.49Å; V263-C266 WeakPolarHBondContact O-CB 2.85Å; V263-C266 PolarHBondContact O-N 3.21Å; V263-L267 HydrophobicContact CG1-CD1 4.2Å; V263-L267 PolarHBondContact O-N 2.92Å; V263-L267 VanDerWaalsContact O-N 3.11Å |
| 264 | T | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.4 | -36.8 | -175.7 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | L251 F260 Y261 C266 L267 E268 L300 | L251-T264 HydrophobicContact CD1-CG2 4.23Å; L251-T264 HydrophobicContact CD2-CG2 3.68Å; F260-T264 HydrophobicContact CD1-CG2 4.43Å; F260-T264 HydrophobicContact CE1-CG2 3.99Å; F260-T264 HydrophobicContact CE2-CG2 4.23Å; F260-T264 HydrophobicContact CZ-CG2 3.88Å; F260-T264 PolarHBondContact O-N 2.72Å; F260-T264 PolarHBondContact O-OG1 3.08Å; Y261-T264 WeakPolarHBondContact CA-OG1 3.46Å; Y261-T264 PolarHBondContact O-N 3.15Å; Y261-T264 PolarHBondContact O-OG1 2.73Å; T264-C266 PolarHBondContact O-N 2.71Å; T264-L267 PolarHBondContact O-N 3.46Å; T264-E268 WeakPolarHBondContact O-CG 3.23Å; T264-E268 PolarHBondContact O-N 2.94Å; T264-L300 HydrophobicContact CG2-CD2 3.81Å |
| 265 | D | 90.1 | Very high | 90.2 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -35.4 | 176.8 | -65 | -26.4 | 0 | 0 | 0 | 110.1 | Y261 V263 E269 R1461 V1464 | Y261-D265 WeakPolarHBondContact O-CB 3.44Å; Y261-D265 PolarHBondContact O-N 2.73Å; V263-D265 PolarHBondContact O-N 3.49Å; D265-E269 WeakPolarHBondContact O-CB 3.22Å; D265-E269 PolarHBondContact O-N 3.46Å; D265-R1461 IonicContact OD2-CZ 3.7Å; D265-R1461 IonicContact OD2-NE 3.86Å; D265-R1461 IonicContact OD2-NH2 2.69Å; D265-R1461 PolarHBondContact OD2-NH2 3.09Å; D265-V1464 HydrophobicContact CB-CG2 3.88Å; D265-V1464 WeakPolarHBondContact OD1-CB 3.49Å; D265-V1464 WeakPolarHBondContact OD1-CG2 3.46Å; D265-V1464 PolarHBondContact OD1-N 3.49Å |
| 266 | C | 90.8 | Very high | 90.3 | Very high | 25 Ų | 25 | 29 Ų | 29 | 17% | 0.169 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.1 | -41.7 | 174.1 | -164.6 | 0 | 0 | 0 | 0 | 112.7 | V263 T264 M270 | V263-C266 WeakPolarHBondContact O-CB 2.85Å; V263-C266 PolarHBondContact O-N 3.21Å; T264-C266 PolarHBondContact O-N 2.71Å; C266-M270 WeakPolarHBondContact O-CE 3.37Å; C266-M270 PolarHBondContact O-N 3.18Å |
| 267 | L | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 174.8 | -66 | 169.8 | 0 | 0 | 0 | 111.6 | W223 I227 L247 L251 V263 T264 M270 G271 M272 Y296 | W223-L267 HydrophobicContact CB-CD2 3.59Å; W223-L267 HydrophobicContact CG-CD2 4.04Å; I227-L267 HydrophobicContact CD1-CD2 3.83Å; I227-L267 HydrophobicContact CG1-CD2 4.08Å; L247-L267 HydrophobicContact CD1-CD2 4.4Å; L247-L267 HydrophobicContact CD2-CD1 4.29Å; L247-L267 HydrophobicContact CD2-CD2 4.09Å; L251-L267 HydrophobicContact CD1-CD1 4.32Å; V263-L267 HydrophobicContact CG1-CD1 4.2Å; V263-L267 PolarHBondContact O-N 2.92Å; V263-L267 VanDerWaalsContact O-N 3.11Å; T264-L267 PolarHBondContact O-N 3.46Å; L267-M270 PolarHBondContact O-N 3.01Å; L267-M270 VanDerWaalsContact O-N 3.16Å; L267-G271 PolarHBondContact O-N 3.22Å; L267-M272 HydrophobicContact CB-CB 4.16Å; L267-M272 HydrophobicContact CB-CG 4.42Å; L267-M272 WeakPolarHBondContact O-CB 3.13Å; L267-M272 PolarHBondContact O-N 2.96Å; L267-Y296 HydrophobicContact CD1-CE2 4.06Å |
| 268 | E | 90.7 | Very high | 90.3 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69 | -35.7 | -179.9 | -68.2 | -66.5 | -175.7 | 0 | 0 | 112.8 | T264 M270 G271 Q273 Y296 R1465 | T264-E268 WeakPolarHBondContact O-CG 3.23Å; T264-E268 PolarHBondContact O-N 2.94Å; E268-M270 PolarHBondContact O-N 2.97Å; E268-G271 WeakPolarHBondContact O-CA 3.31Å; E268-G271 PolarHBondContact O-N 2.96Å; E268-Q273 VanDerWaalsContact OE2-CB 3.27Å; E268-Q273 WeakPolarHBondContact OE2-CB 3.36Å; E268-Q273 PolarHBondContact OE2-N 3.03Å; E268-Y296 PolarHBondContact OE1-OH 2.88Å; E268-Y296 VanDerWaalsContact OE1-OH 3.1Å; E268-R1465 WeakPolarHBondContact OE1-CD 3.47Å; E268-R1465 IonicContact OE1-CZ 2.66Å; E268-R1465 IonicContact OE1-NE 3.06Å; E268-R1465 IonicContact OE1-NH1 2.79Å; E268-R1465 PolarHBondContact OE1-NH1 3.09Å; E268-R1465 IonicContact OE2-NH1 3.68Å |
| 269 | E | 87.3 | Confident | 90.2 | Very high | 122 Ų | 122 | 35.4 Ų | 35.4 | 57% | 0.57 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -60.9 | -27.9 | 171 | -84.7 | -165.6 | -148.3 | 0 | 0 | 113 | R221 D265 G271 | R221-E269 IonicContact CZ-OE2 2.76Å; R221-E269 VanDerWaalsContact CZ-OE2 3.3Å; R221-E269 IonicContact NH1-OE2 2.67Å; R221-E269 PolarHBondContact NH1-OE2 2.93Å; R221-E269 IonicContact NH2-OE2 2.88Å; R221-E269 PolarHBondContact NH2-OE2 3.27Å; D265-E269 WeakPolarHBondContact O-CB 3.22Å; D265-E269 PolarHBondContact O-N 3.46Å; E269-G271 VanDerWaalsContact C-N 3.3Å |
| 270 | M | 89.4 | Confident | 90 | Very high | 44 Ų | 44 | 37.6 Ų | 37.6 | 22% | 0.217 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 2 | 173.1 | -64 | -173.2 | -71.9 | 0 | 0 | 113.6 | R221 P222 W223 I227 C266 L267 E268 | R221-M270 HydrophobicContact CB-SD 3.95Å; P222-M270 WeakPolarHBondContact O-CE 3.3Å; W223-M270 HydrophobicContact CB-CE 3.88Å; I227-M270 HydrophobicContact CG1-CB 4.28Å; I227-M270 HydrophobicContact CG1-CE 3.78Å; I227-M270 HydrophobicContact CG1-SD 4.45Å; I227-M270 HydrophobicContact CG2-CB 4.23Å; C266-M270 WeakPolarHBondContact O-CE 3.37Å; C266-M270 PolarHBondContact O-N 3.18Å; L267-M270 PolarHBondContact O-N 3.01Å; L267-M270 VanDerWaalsContact O-N 3.16Å; E268-M270 PolarHBondContact O-N 2.97Å |
| 271 | G | 88.6 | Confident | 89.7 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 19% | 0.186 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 23.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L267 E268 E269 Q273 K274 I275 | L267-G271 PolarHBondContact O-N 3.22Å; E268-G271 WeakPolarHBondContact O-CA 3.31Å; E268-G271 PolarHBondContact O-N 2.96Å; E269-G271 VanDerWaalsContact C-N 3.3Å; G271-Q273 VanDerWaalsContact C-N 3.28Å; G271-Q273 PolarHBondContact O-N 3.08Å; G271-K274 WeakPolarHBondContact O-CB 3.32Å; G271-K274 PolarHBondContact O-N 3.42Å; G271-I275 PolarHBondContact O-N 3.01Å |
| 272 | M | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -47.7 | -45.6 | 179.1 | -169.2 | 62.6 | 167.3 | 0 | 0 | 113.2 | I227 L230 M244 L247 L267 K274 I275 V276 Y296 | I227-M272 HydrophobicContact CD1-CB 4.45Å; I227-M272 HydrophobicContact CD1-SD 3.61Å; L230-M272 HydrophobicContact CD1-CE 4.11Å; L230-M272 HydrophobicContact CD1-SD 4.39Å; M244-M272 HydrophobicContact CE-CE 3.58Å; M244-M272 HydrophobicContact SD-CE 3.53Å; M244-M272 VanDerWaalsContact SD-CE 3.53Å; L247-M272 HydrophobicContact CD1-CE 4.05Å; L267-M272 HydrophobicContact CB-CB 4.16Å; L267-M272 HydrophobicContact CB-CG 4.42Å; L267-M272 WeakPolarHBondContact O-CB 3.13Å; L267-M272 PolarHBondContact O-N 2.96Å; M272-K274 PolarHBondContact O-N 3.13Å; M272-K274 VanDerWaalsContact O-N 3.14Å; M272-I275 PolarHBondContact O-N 2.94Å; M272-V276 HydrophobicContact CE-CG2 4.36Å; M272-V276 HydrophobicContact CG-CG2 4.24Å; M272-V276 WeakPolarHBondContact O-CG2 3.4Å; M272-V276 PolarHBondContact O-N 3.35Å; M272-V276 HydrophobicContact SD-CG2 4.48Å; M272-Y296 HydrophobicContact CE-CD1 4.48Å; M272-Y296 HydrophobicContact CE-CD2 4.43Å; M272-Y296 HydrophobicContact CE-CE1 4.48Å; M272-Y296 HydrophobicContact CE-CE2 4.43Å; M272-Y296 HydrophobicContact CE-CG 4.47Å; M272-Y296 HydrophobicContact CG-CD1 4.43Å; M272-Y296 HydrophobicContact CG-CE1 3.65Å; M272-Y296 HydrophobicContact CG-CE2 4.38Å |
| 273 | Q | 88.5 | Confident | 88.3 | Confident | 67 Ų | 67 | 53 Ų | 53 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -46.6 | -42.9 | 171.6 | 172.9 | 166.8 | 5.2 | 0 | 0 | 114 | E268 G271 Q277 R1465 | E268-Q273 VanDerWaalsContact OE2-CB 3.27Å; E268-Q273 WeakPolarHBondContact OE2-CB 3.36Å; E268-Q273 PolarHBondContact OE2-N 3.03Å; G271-Q273 VanDerWaalsContact C-N 3.28Å; G271-Q273 PolarHBondContact O-N 3.08Å; Q273-Q277 VanDerWaalsContact O-CB 3.27Å; Q273-Q277 WeakPolarHBondContact O-CB 3.47Å; Q273-Q277 PolarHBondContact O-N 3.38Å; Q273-R1465 VanDerWaalsContact CD-NE 3.3Å |
| 274 | K | 88.3 | Confident | 87.5 | Confident | 161 Ų | 161 | 60.4 Ų | 60.4 | 70% | 0.7 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -72.4 | -37.3 | -178.1 | -63 | 176.6 | -178.9 | 171.5 | 0 | 111.5 | G271 M272 C278 | G271-K274 WeakPolarHBondContact O-CB 3.32Å; G271-K274 PolarHBondContact O-N 3.42Å; M272-K274 PolarHBondContact O-N 3.13Å; M272-K274 VanDerWaalsContact O-N 3.14Å; K274-C278 WeakPolarHBondContact O-CB 3.49Å; K274-C278 PolarHBondContact O-N 3.02Å |
| 275 | I | 90.5 | Very high | 86.8 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.3 | -48.2 | 178.3 | -63.1 | 167.2 | 0 | 0 | 0 | 109.8 | I227 L230 N231 G271 M272 Q277 C278 H279 | I227-I275 HydrophobicContact CD1-CD1 4.39Å; I227-I275 HydrophobicContact CG2-CD1 3.8Å; L230-I275 HydrophobicContact CB-CG2 3.99Å; N231-I275 HydrophobicContact CB-CD1 3.83Å; N231-I275 HydrophobicContact CB-CG1 4.17Å; G271-I275 PolarHBondContact O-N 3.01Å; M272-I275 PolarHBondContact O-N 2.94Å; I275-Q277 PolarHBondContact O-N 2.67Å; I275-C278 PolarHBondContact O-N 3.28Å; I275-H279 PolarHBondContact O-CD2 3.16Å; I275-H279 PolarHBondContact O-N 3.03Å |
| 276 | V | 89.2 | Confident | 86.6 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.3 | -49.6 | 174.7 | 175 | 0 | 0 | 0 | 0 | 110.9 | M272 C278 H279 L280 L293 Y296 E297 | M272-V276 HydrophobicContact CE-CG2 4.36Å; M272-V276 HydrophobicContact CG-CG2 4.24Å; M272-V276 WeakPolarHBondContact O-CG2 3.4Å; M272-V276 PolarHBondContact O-N 3.35Å; M272-V276 HydrophobicContact SD-CG2 4.48Å; V276-C278 PolarHBondContact O-N 2.88Å; V276-H279 PolarHBondContact O-N 3.36Å; V276-L280 HydrophobicContact CG1-CD1 3.69Å; V276-L280 HydrophobicContact CG1-CG 4.39Å; V276-L280 WeakPolarHBondContact O-CB 3.33Å; V276-L280 WeakPolarHBondContact O-CG 3.44Å; V276-L280 PolarHBondContact O-N 2.89Å; V276-L293 HydrophobicContact CB-CD2 4.46Å; V276-L293 HydrophobicContact CG1-CB 4.44Å; V276-L293 HydrophobicContact CG2-CD2 3.93Å; V276-Y296 HydrophobicContact CG2-CD1 4.26Å; V276-E297 HydrophobicContact CG1-CG 3.87Å; V276-E297 WeakPolarHBondContact CG1-OE1 3.37Å |
| 277 | Q | 88.6 | Confident | 86.4 | Confident | 121 Ų | 121 | 67.4 Ų | 67.4 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.5 | -37.8 | 178.2 | -172.6 | 175.1 | 10.7 | 0 | 0 | 112.7 | Q273 I275 T281 | Q273-Q277 VanDerWaalsContact O-CB 3.27Å; Q273-Q277 WeakPolarHBondContact O-CB 3.47Å; Q273-Q277 PolarHBondContact O-N 3.38Å; I275-Q277 PolarHBondContact O-N 2.67Å; Q277-T281 HydrophobicContact CG-CG2 4.39Å; Q277-T281 WeakPolarHBondContact O-CB 3.36Å; Q277-T281 VanDerWaalsContact O-CG2 3.27Å; Q277-T281 WeakPolarHBondContact O-CG2 3.34Å; Q277-T281 PolarHBondContact O-N 3.4Å; Q277-T281 PolarHBondContact O-OG1 3.36Å |
| 278 | C | 88.4 | Confident | 86 | Confident | 51 Ų | 51 | 71 Ų | 71 | 35% | 0.345 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 177.7 | -175 | 0 | 0 | 0 | 0 | 111.4 | E233 K274 I275 V276 T281 K282 | E233-C278 PolarHBondContact OE1-SG 2.91Å; K274-C278 WeakPolarHBondContact O-CB 3.49Å; K274-C278 PolarHBondContact O-N 3.02Å; I275-C278 PolarHBondContact O-N 3.28Å; V276-C278 PolarHBondContact O-N 2.88Å; C278-T281 PolarHBondContact O-OG1 3.09Å; C278-K282 WeakPolarHBondContact O-CG 3.5Å |
| 279 | H | 86.8 | Confident | 85.9 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.9 | -45.4 | -180 | -71.1 | -55.1 | 0 | 0 | 0 | 112.6 | L230 I275 V276 T281 K282 C285 L293 | L230-H279 PolarHBondContact O-NE2 3.12Å; I275-H279 PolarHBondContact O-CD2 3.16Å; I275-H279 PolarHBondContact O-N 3.03Å; V276-H279 PolarHBondContact O-N 3.36Å; H279-T281 PolarHBondContact O-N 3.22Å; H279-K282 PolarHBondContact CE1-NZ 2.89Å; H279-K282 PolarHBondContact ND1-NZ 3.36Å; H279-K282 WeakPolarHBondContact O-CB 3.5Å; H279-K282 PolarHBondContact O-N 3.08Å; H279-K282 VanDerWaalsContact O-N 3.15Å; H279-C285 WeakPolarHBondContact O-CB 3.44Å; H279-C285 PolarHBondContact O-SG 3.49Å; H279-L293 HydrophobicContact CB-CD1 3.58Å |
| 280 | L | 86.4 | Confident | 86 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 31% | 0.314 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67 | -16.6 | 179.6 | -68.8 | 177.3 | 0 | 0 | 0 | 114.3 | V276 A290 L293 | V276-L280 HydrophobicContact CG1-CD1 3.69Å; V276-L280 HydrophobicContact CG1-CG 4.39Å; V276-L280 WeakPolarHBondContact O-CB 3.33Å; V276-L280 WeakPolarHBondContact O-CG 3.44Å; V276-L280 PolarHBondContact O-N 2.89Å; L280-A290 HydrophobicContact CD2-CB 4.02Å; L280-L293 HydrophobicContact CD1-CB 4.42Å; L280-L293 HydrophobicContact CD2-CB 4.13Å; L280-L293 HydrophobicContact CD2-CD1 4.26Å; L280-L293 HydrophobicContact CG-CB 4.27Å; L280-L293 HydrophobicContact CG-CD1 4.27Å |
| 281 | T | 85.8 | Confident | 85.9 | Confident | 104 Ų | 104 | 66.3 Ų | 66.3 | 64% | 0.638 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -5.4 | 175.3 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | Q277 C278 H279 K283 | Q277-T281 HydrophobicContact CG-CG2 4.39Å; Q277-T281 WeakPolarHBondContact O-CB 3.36Å; Q277-T281 VanDerWaalsContact O-CG2 3.27Å; Q277-T281 WeakPolarHBondContact O-CG2 3.34Å; Q277-T281 PolarHBondContact O-N 3.4Å; Q277-T281 PolarHBondContact O-OG1 3.36Å; C278-T281 PolarHBondContact O-OG1 3.09Å; H279-T281 PolarHBondContact O-N 3.22Å; T281-K283 PolarHBondContact O-N 3.24Å |
| 282 | K | 84.4 | Confident | 86 | Confident | 71 Ų | 71 | 66.4 Ų | 66.4 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -72.3 | 128.4 | 173.5 | -71.8 | 165.6 | -167.7 | 173.6 | 0 | 109.9 | E233 C278 H279 N284 C285 | E233-K282 WeakPolarHBondContact OE1-CE 3.42Å; E233-K282 IonicContact OE1-NZ 3.62Å; E233-K282 PolarHBondContact OE1-NZ 3.35Å; C278-K282 WeakPolarHBondContact O-CG 3.5Å; H279-K282 PolarHBondContact CE1-NZ 2.89Å; H279-K282 PolarHBondContact ND1-NZ 3.36Å; H279-K282 WeakPolarHBondContact O-CB 3.5Å; H279-K282 PolarHBondContact O-N 3.08Å; H279-K282 VanDerWaalsContact O-N 3.15Å; K282-N284 PolarHBondContact O-N 3.34Å; K282-C285 WeakPolarHBondContact O-CB 3.4Å; K282-C285 PolarHBondContact O-N 3.24Å |
| 283 | K | 69.9 | Low | 86 | Confident | 209 Ų | 209 | 66.4 Ų | 66.4 | 91% | 0.909 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -22.5 | -178.3 | -69.8 | -175.8 | 176.1 | -179.7 | 0 | 114.7 | T281 | T281-K283 PolarHBondContact O-N 3.24Š|
| 284 | N | 75.4 | Confident | 86.1 | Confident | 157 Ų | 157 | 65.9 Ų | 65.9 | 84% | 0.84 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | 38.9 | 179.5 | -58 | 16.8 | 0 | 0 | 0 | 110.2 | K282 D286 | K282-N284 PolarHBondContact O-N 3.34Å; N284-D286 PolarHBondContact O-N 2.61Å |
| 285 | C | 79.7 | Confident | 86.2 | Confident | 38 Ų | 38 | 59 Ų | 59 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | trans | -62.5 | 133.6 | 169.1 | -163.8 | 0 | 0 | 0 | 0 | 109 | H279 K282 | H279-C285 WeakPolarHBondContact O-CB 3.44Å; H279-C285 PolarHBondContact O-SG 3.49Å; K282-C285 WeakPolarHBondContact O-CB 3.4Å; K282-C285 PolarHBondContact O-N 3.24Å | ||
| 286 | D | 86 | Confident | 86.3 | Confident | 48 Ų | 48 | 58.8 Ų | 58.8 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | trans | -70.9 | 139.9 | 178.5 | 177.3 | -87.4 | 0 | 0 | 0 | 111 | L237 N284 E288 L289 A290 | L237-D286 HydrophobicContact CD1-CB 3.58Å; L237-D286 HydrophobicContact CD2-CB 3.85Å; L237-D286 HydrophobicContact CG-CB 4.37Å; N284-D286 PolarHBondContact O-N 2.61Å; D286-E288 PolarHBondContact O-N 3.09Å; D286-E288 WeakPolarHBondContact OD1-CB 3.46Å; D286-E288 PolarHBondContact OD1-N 2.91Å; D286-L289 HydrophobicContact CB-CB 4.26Å; D286-L289 PolarHBondContact OD1-N 3.33Å; D286-A290 WeakPolarHBondContact O-CB 3.35Å; D286-A290 PolarHBondContact O-N 3.19Å | ||
| 287 | P | 85.5 | Confident | 86.3 | Confident | 103 Ų | 103 | 59.8 Ų | 59.8 | 67% | 0.669 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.8 | -35.5 | -177.2 | 24.8 | -35.9 | 0 | 0 | 0 | 114.7 | A290 E291 | P287-A290 PolarHBondContact O-N 3.31Å; P287-E291 PolarHBondContact O-N 3.39Å |
| 288 | E | 84.7 | Confident | 86.3 | Confident | 75 Ų | 75 | 54.1 Ų | 54.1 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -73.9 | -43.9 | -178.9 | -174.1 | 173.3 | 178.1 | 0 | 0 | 110.4 | I241 D286 A290 E291 Q292 | I241-E288 HydrophobicContact CD1-CB 4.05Å; I241-E288 HydrophobicContact CD1-CG 4.1Å; I241-E288 HydrophobicContact CG2-CG 4.15Å; D286-E288 PolarHBondContact O-N 3.09Å; D286-E288 WeakPolarHBondContact OD1-CB 3.46Å; D286-E288 PolarHBondContact OD1-N 2.91Å; E288-A290 VanDerWaalsContact C-N 3.3Å; E288-A290 PolarHBondContact O-N 3.27Å; E288-E291 PolarHBondContact O-N 2.93Å; E288-Q292 WeakPolarHBondContact O-CG 3.38Å; E288-Q292 PolarHBondContact O-N 3.47Å |
| 289 | L | 89 | Confident | 86.3 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 171.1 | -177.8 | 59.5 | 0 | 0 | 0 | 111.4 | L237 L240 I241 M244 D286 Q292 L293 | L237-L289 HydrophobicContact CD1-CB 3.97Å; L237-L289 HydrophobicContact CD1-CD2 3.99Å; L240-L289 HydrophobicContact CB-CD1 3.85Å; L240-L289 HydrophobicContact CB-CD2 3.94Å; L240-L289 HydrophobicContact CD1-CD2 3.85Å; I241-L289 HydrophobicContact CG1-CB 3.93Å; I241-L289 HydrophobicContact CG1-CD1 4.32Å; M244-L289 HydrophobicContact CB-CD1 4.5Å; D286-L289 HydrophobicContact CB-CB 4.26Å; D286-L289 PolarHBondContact OD1-N 3.33Å; L289-Q292 PolarHBondContact O-N 2.95Å; L289-L293 HydrophobicContact CD1-CD1 4.29Å; L289-L293 HydrophobicContact CD1-CG 4.3Å; L289-L293 HydrophobicContact CG-CD1 3.97Å; L289-L293 HydrophobicContact CG-CG 4.44Å; L289-L293 WeakPolarHBondContact O-CB 3.45Å; L289-L293 VanDerWaalsContact O-CG 3.22Å; L289-L293 WeakPolarHBondContact O-CG 3.47Å; L289-L293 PolarHBondContact O-N 3.4Å |
| 290 | A | 89 | Confident | 86.4 | Confident | 19 Ų | 19 | 52 Ų | 52 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L280 D286 P287 E288 L293 N294 | L280-A290 HydrophobicContact CD2-CB 4.02Å; D286-A290 WeakPolarHBondContact O-CB 3.35Å; D286-A290 PolarHBondContact O-N 3.19Å; P287-A290 PolarHBondContact O-N 3.31Å; E288-A290 VanDerWaalsContact C-N 3.3Å; E288-A290 PolarHBondContact O-N 3.27Å; A290-L293 PolarHBondContact O-N 2.87Å; A290-N294 WeakPolarHBondContact O-CB 3.5Å; A290-N294 PolarHBondContact O-N 3.3Å; A290-N294 PolarHBondContact O-ND2 2.86Å |
| 291 | E | 88.6 | Confident | 86.4 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175 | -171.8 | 163.3 | -160.8 | 0 | 0 | 110.8 | P287 E288 L293 N294 L295 P314 S316 G317 | P287-E291 PolarHBondContact O-N 3.39Å; E288-E291 PolarHBondContact O-N 2.93Å; E291-L293 PolarHBondContact O-N 3.45Å; E291-N294 PolarHBondContact O-N 3.4Å; E291-L295 WeakPolarHBondContact O-CB 3.46Å; E291-L295 PolarHBondContact O-N 3.47Å; E291-P314 WeakPolarHBondContact OE1-CG 3.09Å; E291-S316 PolarHBondContact OE1-OG 3.17Å; E291-G317 PolarHBondContact OE1-N 2.72Å |
| 292 | Q | 90 | Very high | 86.4 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 176.1 | -65.6 | -63.1 | -23.7 | 0 | 0 | 112.9 | M244 T245 N248 E288 L289 L295 Y296 | M244-Q292 HydrophobicContact CB-CB 4.03Å; M244-Q292 HydrophobicContact CG-CB 3.61Å; T245-Q292 VanDerWaalsContact OG1-CD 3.31Å; N248-Q292 PolarHBondContact ND2-O 3.07Å; N248-Q292 PolarHBondContact ND2-OE1 3.39Å; E288-Q292 WeakPolarHBondContact O-CG 3.38Å; E288-Q292 PolarHBondContact O-N 3.47Å; L289-Q292 PolarHBondContact O-N 2.95Å; Q292-L295 PolarHBondContact O-N 2.96Å; Q292-Y296 PolarHBondContact O-N 3.12Å |
| 293 | L | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 175.5 | -70.5 | 169.2 | 0 | 0 | 0 | 112.3 | M244 V276 H279 L280 L289 A290 E291 E297 | M244-L293 HydrophobicContact CE-CD2 4.4Å; M244-L293 HydrophobicContact CG-CD2 4.26Å; M244-L293 HydrophobicContact SD-CD2 3.78Å; V276-L293 HydrophobicContact CB-CD2 4.46Å; V276-L293 HydrophobicContact CG1-CB 4.44Å; V276-L293 HydrophobicContact CG2-CD2 3.93Å; H279-L293 HydrophobicContact CB-CD1 3.58Å; L280-L293 HydrophobicContact CD1-CB 4.42Å; L280-L293 HydrophobicContact CD2-CB 4.13Å; L280-L293 HydrophobicContact CD2-CD1 4.26Å; L280-L293 HydrophobicContact CG-CB 4.27Å; L280-L293 HydrophobicContact CG-CD1 4.27Å; L289-L293 HydrophobicContact CD1-CD1 4.29Å; L289-L293 HydrophobicContact CD1-CG 4.3Å; L289-L293 HydrophobicContact CG-CD1 3.97Å; L289-L293 HydrophobicContact CG-CG 4.44Å; L289-L293 WeakPolarHBondContact O-CB 3.45Å; L289-L293 VanDerWaalsContact O-CG 3.22Å; L289-L293 WeakPolarHBondContact O-CG 3.47Å; L289-L293 PolarHBondContact O-N 3.4Å; A290-L293 PolarHBondContact O-N 2.87Å; E291-L293 PolarHBondContact O-N 3.45Å; L293-E297 PolarHBondContact O-N 3.39Å |
| 294 | N | 90.6 | Very high | 87.2 | Confident | 56 Ų | 56 | 36.9 Ų | 36.9 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71.3 | -31.3 | 176 | -75.6 | -64 | 0 | 0 | 0 | 112.6 | A290 E291 Y296 E297 A298 L313 | A290-N294 WeakPolarHBondContact O-CB 3.5Å; A290-N294 PolarHBondContact O-N 3.3Å; A290-N294 PolarHBondContact O-ND2 2.86Å; E291-N294 PolarHBondContact O-N 3.4Å; N294-Y296 VanDerWaalsContact C-N 3.34Å; N294-Y296 PolarHBondContact O-N 2.98Å; N294-E297 PolarHBondContact O-N 2.69Å; N294-A298 WeakPolarHBondContact O-CB 3.3Å; N294-A298 PolarHBondContact O-N 2.69Å; N294-L313 HydrophobicContact CB-CD2 3.83Å |
| 295 | L | 89.4 | Confident | 87.4 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 176.2 | -178.9 | 57.7 | 0 | 0 | 0 | 111.9 | N248 E291 Q292 A298 S299 L313 G317 L321 | N248-L295 HydrophobicContact CB-CD2 4.12Å; E291-L295 WeakPolarHBondContact O-CB 3.46Å; E291-L295 PolarHBondContact O-N 3.47Å; Q292-L295 PolarHBondContact O-N 2.96Å; L295-A298 PolarHBondContact O-N 3.44Å; L295-S299 WeakPolarHBondContact O-CB 3.48Å; L295-S299 PolarHBondContact O-N 3.27Å; L295-L313 HydrophobicContact CD1-CD1 4.1Å; L295-G317 WeakPolarHBondContact CD1-O 3.05Å; L295-L321 HydrophobicContact CD1-CB 4.16Å; L295-L321 HydrophobicContact CD1-CD1 4.06Å; L295-L321 HydrophobicContact CD1-CG 4.08Å |
| 296 | Y | 92.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -49.3 | 173.6 | 174.3 | -95.6 | 0 | 0 | 0 | 112.5 | M244 L251 L267 E268 M272 V276 Q292 N294 A298 S299 L300 | M244-Y296 HydrophobicContact CE-CD2 4.16Å; M244-Y296 HydrophobicContact CE-CG 3.81Å; L251-Y296 HydrophobicContact CD1-CD2 3.79Å; L251-Y296 HydrophobicContact CD1-CE2 3.86Å; L267-Y296 HydrophobicContact CD1-CE2 4.06Å; E268-Y296 PolarHBondContact OE1-OH 2.88Å; E268-Y296 VanDerWaalsContact OE1-OH 3.1Å; M272-Y296 HydrophobicContact CE-CD1 4.48Å; M272-Y296 HydrophobicContact CE-CD2 4.43Å; M272-Y296 HydrophobicContact CE-CE1 4.48Å; M272-Y296 HydrophobicContact CE-CE2 4.43Å; M272-Y296 HydrophobicContact CE-CG 4.47Å; M272-Y296 HydrophobicContact CG-CD1 4.43Å; M272-Y296 HydrophobicContact CG-CE1 3.65Å; M272-Y296 HydrophobicContact CG-CE2 4.38Å; V276-Y296 HydrophobicContact CG2-CD1 4.26Å; Q292-Y296 PolarHBondContact O-N 3.12Å; N294-Y296 VanDerWaalsContact C-N 3.34Å; N294-Y296 PolarHBondContact O-N 2.98Å; Y296-A298 VanDerWaalsContact C-N 3.29Å; Y296-A298 PolarHBondContact O-N 3.36Å; Y296-S299 PolarHBondContact O-N 3.06Å; Y296-L300 HydrophobicContact CD1-CD1 4.12Å; Y296-L300 HydrophobicContact CE1-CD1 3.48Å; Y296-L300 VanDerWaalsContact CE1-CD1 3.48Å; Y296-L300 HydrophobicContact CE1-CG 4.37Å; Y296-L300 HydrophobicContact CE2-CD1 4.48Å; Y296-L300 PolarHBondContact O-N 2.89Å |
| 297 | E | 90.4 | Very high | 87.2 | Confident | 25 Ų | 25 | 34.1 Ų | 34.1 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.2 | -40.9 | 176.4 | -71 | -74.7 | 142.2 | 0 | 0 | 112.1 | V276 L293 N294 R301 R1465 | V276-E297 HydrophobicContact CG1-CG 3.87Å; V276-E297 WeakPolarHBondContact CG1-OE1 3.37Å; L293-E297 PolarHBondContact O-N 3.39Å; N294-E297 PolarHBondContact O-N 2.69Å; E297-R301 WeakPolarHBondContact O-CD 3.39Å; E297-R301 WeakPolarHBondContact O-CG 3.32Å; E297-R301 PolarHBondContact O-N 2.87Å; E297-R301 VanDerWaalsContact O-N 3.13Å; E297-R1465 IonicContact OE1-CZ 3.64Å; E297-R1465 IonicContact OE1-NH1 3.04Å; E297-R1465 PolarHBondContact OE1-NH1 3.39Å; E297-R1465 IonicContact OE1-NH2 2.73Å; E297-R1465 PolarHBondContact OE1-NH2 3.24Å; E297-R1465 IonicContact OE2-CZ 2.72Å; E297-R1465 IonicContact OE2-NH1 3.88Å; E297-R1465 IonicContact OE2-NH2 3.13Å; E297-R1465 PolarHBondContact OE2-NH2 2.84Å |
| 298 | A | 88.5 | Confident | 86.7 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.6 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N294 L295 Y296 L300 R301 Y302 L311 L313 L321 | N294-A298 WeakPolarHBondContact O-CB 3.3Å; N294-A298 PolarHBondContact O-N 2.69Å; L295-A298 PolarHBondContact O-N 3.44Å; Y296-A298 VanDerWaalsContact C-N 3.29Å; Y296-A298 PolarHBondContact O-N 3.36Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 2.67Å; A298-R301 PolarHBondContact O-N 3.49Å; A298-Y302 VanDerWaalsContact O-CB 3.28Å; A298-Y302 WeakPolarHBondContact O-CB 3.09Å; A298-Y302 PolarHBondContact O-N 2.74Å; A298-L311 HydrophobicContact CB-CD2 4.49Å; A298-L313 HydrophobicContact CB-CD1 3.39Å; A298-L313 HydrophobicContact CB-CG 3.8Å; A298-L321 HydrophobicContact CB-CD1 3.82Å |
| 299 | S | 88.7 | Confident | 86.3 | Confident | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 176.1 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | L295 Y296 E303 | L295-S299 WeakPolarHBondContact O-CB 3.48Å; L295-S299 PolarHBondContact O-N 3.27Å; Y296-S299 PolarHBondContact O-N 3.06Å; S299-E303 PolarHBondContact O-N 3.31Å; S299-E303 VanDerWaalsContact O-N 3.16Å |
| 300 | L | 87.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -55.3 | 173.3 | -78.4 | 176.6 | 0 | 0 | 0 | 111.3 | F260 T264 Y296 A298 Y302 E303 D304 | F260-L300 HydrophobicContact CE1-CD2 4.46Å; T264-L300 HydrophobicContact CG2-CD2 3.81Å; Y296-L300 HydrophobicContact CD1-CD1 4.12Å; Y296-L300 HydrophobicContact CE1-CD1 3.48Å; Y296-L300 VanDerWaalsContact CE1-CD1 3.48Å; Y296-L300 HydrophobicContact CE1-CG 4.37Å; Y296-L300 HydrophobicContact CE2-CD1 4.48Å; Y296-L300 PolarHBondContact O-N 2.89Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 2.67Å; L300-Y302 VanDerWaalsContact C-N 3.28Å; L300-Y302 PolarHBondContact O-N 3.48Å; L300-E303 PolarHBondContact O-N 3.3Å; L300-D304 VanDerWaalsContact O-CB 3.23Å; L300-D304 WeakPolarHBondContact O-CB 3.35Å; L300-D304 PolarHBondContact O-N 3.04Å |
| 301 | R | 86.1 | Confident | 85.2 | Confident | 94 Ų | 94 | 40 Ų | 40 | 36% | 0.355 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.7 | -41.4 | 179.7 | -73.5 | 166.3 | -171 | -124.5 | 11.1 | 112.7 | E297 A298 D304 G305 E306 L311 | E297-R301 WeakPolarHBondContact O-CD 3.39Å; E297-R301 WeakPolarHBondContact O-CG 3.32Å; E297-R301 PolarHBondContact O-N 2.87Å; E297-R301 VanDerWaalsContact O-N 3.13Å; A298-R301 PolarHBondContact O-N 3.49Å; R301-D304 PolarHBondContact O-N 3.14Å; R301-G305 PolarHBondContact O-N 2.57Å; R301-G305 VanDerWaalsContact O-N 3.17Å; R301-E306 HydrophobicContact CB-CB 4.33Å; R301-E306 HydrophobicContact CB-CG 4.48Å; R301-E306 WeakPolarHBondContact CB-OE2 3.41Å; R301-E306 WeakPolarHBondContact CD-OE2 3.17Å; R301-E306 WeakPolarHBondContact CG-OE2 3.39Å; R301-E306 IonicContact NH1-OE2 2.67Å; R301-E306 WeakPolarHBondContact O-CB 3.31Å; R301-E306 PolarHBondContact O-N 3.26Å; R301-L311 HydrophobicContact CB-CD2 3.87Å |
| 302 | Y | 87 | Confident | 84.5 | Confident | 20 Ų | 20 | 41 Ų | 41 | 8% | 0.078 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -62.8 | 177.3 | -176.3 | -120.7 | 0 | 0 | 0 | 109.9 | A298 L300 D304 G305 F308 L311 L321 R322 R325 | A298-Y302 VanDerWaalsContact O-CB 3.28Å; A298-Y302 WeakPolarHBondContact O-CB 3.09Å; A298-Y302 PolarHBondContact O-N 2.74Å; L300-Y302 VanDerWaalsContact C-N 3.28Å; L300-Y302 PolarHBondContact O-N 3.48Å; Y302-D304 PolarHBondContact O-N 3.48Å; Y302-G305 PolarHBondContact O-N 2.86Å; Y302-F308 HydrophobicContact CD2-CB 4.29Å; Y302-F308 HydrophobicContact CD2-CD2 4.03Å; Y302-F308 HydrophobicContact CE2-CB 3.84Å; Y302-F308 AromaticContact CE2-CD2 3.75Å; Y302-F308 HydrophobicContact CE2-CD2 3.75Å; Y302-F308 HydrophobicContact CE2-CG 4.3Å; Y302-L311 HydrophobicContact CD2-CD1 4.16Å; Y302-L311 HydrophobicContact CG-CD1 4.3Å; Y302-L321 HydrophobicContact CD1-CD2 3.88Å; Y302-L321 HydrophobicContact CG-CD2 4.25Å; Y302-R322 WeakPolarHBondContact CE1-O 3.18Å; Y302-R325 HydrophobicContact CE1-CG 4.04Å; Y302-R325 PolarHBondContact O-NH1 3.25Å; Y302-R325 PolarHBondContact O-NH2 3.48Å |
| 303 | E | 86.1 | Confident | 83.9 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.7 | -38.3 | 178.6 | -80.4 | -66.4 | 168.7 | 0 | 0 | 112.6 | Q257 F260 Y261 S299 L300 G305 R325 R326 | Q257-E303 PolarHBondContact NE2-OE2 3.47Å; F260-E303 HydrophobicContact CD1-CB 4.39Å; F260-E303 HydrophobicContact CD1-CG 4.11Å; F260-E303 HydrophobicContact CE1-CB 3.86Å; F260-E303 HydrophobicContact CE1-CG 3.8Å; F260-E303 HydrophobicContact CZ-CB 4.42Å; F260-E303 HydrophobicContact CZ-CG 4.1Å; Y261-E303 VanDerWaalsContact OH-C 3.32Å; Y261-E303 PolarHBondContact OH-O 3.17Å; S299-E303 PolarHBondContact O-N 3.31Å; S299-E303 VanDerWaalsContact O-N 3.16Å; L300-E303 PolarHBondContact O-N 3.3Å; E303-G305 PolarHBondContact O-N 2.98Å; E303-G305 VanDerWaalsContact O-N 3.16Å; E303-R325 PolarHBondContact O-NH1 3.05Å; E303-R326 WeakPolarHBondContact OE1-CB 3.34Å; E303-R326 VanDerWaalsContact OE1-CG 3.28Å; E303-R326 WeakPolarHBondContact OE1-CG 3.26Å; E303-R326 IonicContact OE1-CZ 2.69Å; E303-R326 PolarHBondContact OE1-N 2.85Å; E303-R326 IonicContact OE1-NH1 3.25Å; E303-R326 PolarHBondContact OE1-NH1 3.49Å |
| 304 | D | 84.5 | Confident | 83 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.059 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -20.3 | 177.4 | -95.3 | -30.3 | 0 | 0 | 0 | 114.7 | Y261 L300 R301 Y302 F1462 S1463 R1466 | Y261-D304 PolarHBondContact OH-N 3.25Å; Y261-D304 PolarHBondContact OH-OD1 3.43Å; L300-D304 VanDerWaalsContact O-CB 3.23Å; L300-D304 WeakPolarHBondContact O-CB 3.35Å; L300-D304 PolarHBondContact O-N 3.04Å; R301-D304 PolarHBondContact O-N 3.14Å; Y302-D304 PolarHBondContact O-N 3.48Å; D304-F1462 WeakPolarHBondContact O-CD1 3.31Å; D304-F1462 WeakPolarHBondContact O-CE1 3.4Å; D304-F1462 WeakPolarHBondContact OD1-CA 3.28Å; D304-F1462 WeakPolarHBondContact OD1-CB 3.47Å; D304-S1463 PolarHBondContact OD1-N 3.27Å; D304-S1463 PolarHBondContact OD1-OG 3.07Å; D304-S1463 WeakPolarHBondContact OD2-CB 3.34Å; D304-S1463 PolarHBondContact OD2-OG 3.31Å; D304-R1466 PolarHBondContact O-NE 2.66Å; D304-R1466 PolarHBondContact O-NH1 3.03Å; D304-R1466 PolarHBondContact O-NH2 2.77Å; D304-R1466 VanDerWaalsContact OD1-CD 3.25Å; D304-R1466 WeakPolarHBondContact OD1-CD 3.41Å; D304-R1466 VanDerWaalsContact OD2-CB 3.31Å; D304-R1466 WeakPolarHBondContact OD2-CB 3.35Å |
| 305 | G | 80 | Confident | 81.9 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 122.8 | 11.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | R301 Y302 E303 R325 | R301-G305 PolarHBondContact O-N 2.57Å; R301-G305 VanDerWaalsContact O-N 3.17Å; Y302-G305 PolarHBondContact O-N 2.86Å; E303-G305 PolarHBondContact O-N 2.98Å; E303-G305 VanDerWaalsContact O-N 3.16Å; G305-R325 VanDerWaalsContact CA-NH2 3.34Å |
| 306 | E | 81.8 | Confident | 80.8 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | trans | -77.2 | 144 | 169.3 | -66.3 | 173.4 | -162.1 | 0 | 0 | 109.4 | R301 R325 | R301-E306 HydrophobicContact CB-CB 4.33Å; R301-E306 HydrophobicContact CB-CG 4.48Å; R301-E306 WeakPolarHBondContact CB-OE2 3.41Å; R301-E306 WeakPolarHBondContact CD-OE2 3.17Å; R301-E306 WeakPolarHBondContact CG-OE2 3.39Å; R301-E306 IonicContact NH1-OE2 2.67Å; R301-E306 WeakPolarHBondContact O-CB 3.31Å; R301-E306 PolarHBondContact O-N 3.26Å; E306-R325 PolarHBondContact O-NH2 2.99Å | ||
| 307 | D | 78.5 | Confident | 79.7 | Confident | 85 Ų | 85 | 46.1 Ų | 46.1 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | trans | -78.2 | 141.7 | -176.1 | -81.3 | -35.2 | 0 | 0 | 0 | 110.4 | D309 E310 R1454 | D307-D309 PolarHBondContact O-N 2.89Å; D307-D309 VanDerWaalsContact O-N 3.08Å; D307-E310 PolarHBondContact O-N 3.24Å; D307-R1454 IonicContact OD1-NH2 2.72Å | ||
| 308 | F | 76.4 | Confident | 78.8 | Confident | 56 Ų | 56 | 48 Ų | 48 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -55.9 | -33.7 | -168.1 | -170.1 | -95.8 | 0 | 0 | 0 | 113.8 | Y302 E310 L311 R318 L321 | Y302-F308 HydrophobicContact CD2-CB 4.29Å; Y302-F308 HydrophobicContact CD2-CD2 4.03Å; Y302-F308 HydrophobicContact CE2-CB 3.84Å; Y302-F308 AromaticContact CE2-CD2 3.75Å; Y302-F308 HydrophobicContact CE2-CD2 3.75Å; Y302-F308 HydrophobicContact CE2-CG 4.3Å; F308-E310 VanDerWaalsContact C-N 3.31Å; F308-E310 PolarHBondContact O-N 3.08Å; F308-L311 HydrophobicContact CD2-CD1 4.11Å; F308-R318 HydrophobicContact CE1-CB 4.26Å; F308-R318 HydrophobicContact CZ-CB 4.13Å; F308-L321 HydrophobicContact CE2-CB 4.46Å; F308-L321 HydrophobicContact CE2-CD2 4.32Å |
| 309 | D | 75.4 | Confident | 77.9 | Confident | 121 Ų | 121 | 55.3 Ų | 55.3 | 65% | 0.647 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -71.8 | -21.7 | 179.7 | -74.2 | -49.2 | 0 | 0 | 0 | 113.7 | D307 R318 | D307-D309 PolarHBondContact O-N 2.89Å; D307-D309 VanDerWaalsContact O-N 3.08Å; D309-R318 PolarHBondContact O-NH2 3.34Å; D309-R318 IonicContact OD1-NH1 3.91Å |
| 310 | E | 77 | Confident | 77.2 | Confident | 149 Ų | 149 | 57 Ų | 57 | 70% | 0.696 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -86.6 | -7.8 | -179.2 | -57.5 | -169.2 | 143.5 | 0 | 0 | 113.5 | D307 F308 | D307-E310 PolarHBondContact O-N 3.24Å; F308-E310 VanDerWaalsContact C-N 3.31Å; F308-E310 PolarHBondContact O-N 3.08Å |
| 311 | L | 77.7 | Confident | 76.8 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -68.8 | 132.4 | -177.4 | -61.1 | 173 | 0 | 0 | 0 | 111.9 | A298 R301 Y302 F308 L313 R318 L321 | A298-L311 HydrophobicContact CB-CD2 4.49Å; R301-L311 HydrophobicContact CB-CD2 3.87Å; Y302-L311 HydrophobicContact CD2-CD1 4.16Å; Y302-L311 HydrophobicContact CG-CD1 4.3Å; F308-L311 HydrophobicContact CD2-CD1 4.11Å; L311-L313 PolarHBondContact O-N 3.28Å; L311-R318 PolarHBondContact O-NH2 3.08Å; L311-L321 HydrophobicContact CD1-CD1 4.12Å |
| 312 | P | 75 | Confident | 76.5 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | trans | -81.3 | 57.4 | -174.2 | 35.5 | -38.2 | 0 | 0 | 0 | 112.6 | ||||
| 313 | L | 75.7 | Confident | 75.9 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 9% | 0.089 | 34% | 0.342 | C | S | . | . | trans | -121.9 | 147.7 | 178.1 | -75.4 | 178.3 | 0 | 0 | 0 | 112.5 | N294 L295 A298 L311 R318 L321 | N294-L313 HydrophobicContact CB-CD2 3.83Å; L295-L313 HydrophobicContact CD1-CD1 4.1Å; A298-L313 HydrophobicContact CB-CD1 3.39Å; A298-L313 HydrophobicContact CB-CG 3.8Å; L311-L313 PolarHBondContact O-N 3.28Å; L313-R318 HydrophobicContact CB-CG 3.98Å; L313-R318 PolarHBondContact O-NE 3.11Å; L313-L321 HydrophobicContact CD1-CD1 3.65Å | ||
| 314 | P | 73.9 | Confident | 75.5 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | trans | -64.7 | 170.9 | 167.4 | 31.9 | -36.7 | 0 | 0 | 0 | 111.4 | E291 S316 G317 R318 | E291-P314 WeakPolarHBondContact OE1-CG 3.09Å; P314-S316 VanDerWaalsContact C-N 3.32Å; P314-S316 WeakPolarHBondContact CG-OG 3.17Å; P314-S316 PolarHBondContact O-N 3.48Å; P314-G317 PolarHBondContact O-N 2.82Å; P314-R318 WeakPolarHBondContact O-CG 3.3Å; P314-R318 PolarHBondContact O-N 2.98Å; P314-R318 VanDerWaalsContact O-N 3.13Å | ||
| 315 | A | 68 | Low | 75.3 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 58% | 0.579 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.1 | -42.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R318 E319 | A315-R318 PolarHBondContact O-N 2.9Å; A315-E319 PolarHBondContact O-N 3.1Å |
| 316 | S | 65.8 | Low | 75.7 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -53.4 | -57.6 | 173.4 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | E291 P314 R318 E319 S320 | E291-S316 PolarHBondContact OE1-OG 3.17Å; P314-S316 VanDerWaalsContact C-N 3.32Å; P314-S316 WeakPolarHBondContact CG-OG 3.17Å; P314-S316 PolarHBondContact O-N 3.48Å; S316-R318 PolarHBondContact O-N 2.92Å; S316-R318 VanDerWaalsContact O-N 3.14Å; S316-E319 PolarHBondContact O-N 3.33Å; S316-S320 PolarHBondContact O-N 2.96Å |
| 317 | G | 68.3 | Low | 75.9 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.4 | -24.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E291 L295 P314 | E291-G317 PolarHBondContact OE1-N 2.72Å; L295-G317 WeakPolarHBondContact CD1-O 3.05Å; P314-G317 PolarHBondContact O-N 2.82Å |
| 318 | R | 71.9 | Confident | 76.2 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -78 | -27.5 | 174.1 | -69.8 | 177.5 | 178.2 | -142.5 | -5.9 | 113.1 | F308 D309 L311 L313 P314 A315 S316 L321 | F308-R318 HydrophobicContact CE1-CB 4.26Å; F308-R318 HydrophobicContact CZ-CB 4.13Å; D309-R318 PolarHBondContact O-NH2 3.34Å; D309-R318 IonicContact OD1-NH1 3.91Å; L311-R318 PolarHBondContact O-NH2 3.08Å; L313-R318 HydrophobicContact CB-CG 3.98Å; L313-R318 PolarHBondContact O-NE 3.11Å; P314-R318 WeakPolarHBondContact O-CG 3.3Å; P314-R318 PolarHBondContact O-N 2.98Å; P314-R318 VanDerWaalsContact O-N 3.13Å; A315-R318 PolarHBondContact O-N 2.9Å; S316-R318 PolarHBondContact O-N 2.92Å; S316-R318 VanDerWaalsContact O-N 3.14Å; R318-L321 PolarHBondContact O-N 2.89Å |
| 319 | E | 70.8 | Confident | 76.5 | Confident | 157 Ų | 157 | 66.3 Ų | 66.3 | 73% | 0.734 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -73.5 | -34.9 | 174.5 | -70.1 | 167.7 | -179 | 0 | 0 | 111 | A315 S316 L321 | A315-E319 PolarHBondContact O-N 3.1Å; S316-E319 PolarHBondContact O-N 3.33Å; E319-L321 PolarHBondContact O-N 3.48Å; E319-L321 VanDerWaalsContact O-N 3.11Å |
| 320 | S | 73.5 | Confident | 76.7 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 2.3 | 172.1 | -58.3 | 0 | 0 | 0 | 0 | 115.3 | S316 | S316-S320 PolarHBondContact O-N 2.96Š|
| 321 | L | 79.7 | Confident | 77 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -119.6 | 124.3 | -170.2 | -148.5 | 165.9 | 0 | 0 | 0 | 110.5 | L295 A298 Y302 F308 L311 L313 R318 E319 Q323 | L295-L321 HydrophobicContact CD1-CB 4.16Å; L295-L321 HydrophobicContact CD1-CD1 4.06Å; L295-L321 HydrophobicContact CD1-CG 4.08Å; A298-L321 HydrophobicContact CB-CD1 3.82Å; Y302-L321 HydrophobicContact CD1-CD2 3.88Å; Y302-L321 HydrophobicContact CG-CD2 4.25Å; F308-L321 HydrophobicContact CE2-CB 4.46Å; F308-L321 HydrophobicContact CE2-CD2 4.32Å; L311-L321 HydrophobicContact CD1-CD1 4.12Å; L313-L321 HydrophobicContact CD1-CD1 3.65Å; R318-L321 PolarHBondContact O-N 2.89Å; E319-L321 PolarHBondContact O-N 3.48Å; E319-L321 VanDerWaalsContact O-N 3.11Å; L321-Q323 PolarHBondContact O-N 2.8Å; L321-Q323 VanDerWaalsContact O-N 3.11Å |
| 322 | R | 80 | Confident | 77.2 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | trans | -45.8 | 116 | -176.5 | -161.3 | 179.6 | -165.9 | -99.9 | 6.4 | 112.3 | N252 Y302 G324 R325 | N252-R322 WeakPolarHBondContact OD1-CB 3.4Å; N252-R322 PolarHBondContact OD1-N 3.26Å; Y302-R322 WeakPolarHBondContact CE1-O 3.18Å; R322-G324 WeakPolarHBondContact CG-O 3.31Å; R322-G324 PolarHBondContact NH1-O 2.94Å; R322-G324 PolarHBondContact O-N 3.25Å; R322-R325 PolarHBondContact NH1-O 3.2Å | ||
| 323 | Q | 74.1 | Confident | 77.5 | Confident | 172 Ų | 172 | 59.9 Ų | 59.9 | 80% | 0.804 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -66.7 | -6.7 | -172.5 | -58.9 | -174.6 | 12.2 | 0 | 0 | 114.8 | L321 | L321-Q323 PolarHBondContact O-N 2.8Å; L321-Q323 VanDerWaalsContact O-N 3.11Å |
| 324 | G | 76.8 | Confident | 77.7 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -143.5 | 141.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R322 | R322-G324 WeakPolarHBondContact CG-O 3.31Å; R322-G324 PolarHBondContact NH1-O 2.94Å; R322-G324 PolarHBondContact O-N 3.25Å |
| 325 | R | 81.9 | Confident | 78 | Confident | 87 Ų | 87 | 64.6 Ų | 64.6 | 33% | 0.328 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 147.6 | 173.9 | -64.7 | 169.5 | 175.3 | -72.9 | -16.3 | 111.6 | Y302 E303 G305 E306 R322 | Y302-R325 HydrophobicContact CE1-CG 4.04Å; Y302-R325 PolarHBondContact O-NH1 3.25Å; Y302-R325 PolarHBondContact O-NH2 3.48Å; E303-R325 PolarHBondContact O-NH1 3.05Å; G305-R325 VanDerWaalsContact CA-NH2 3.34Å; E306-R325 PolarHBondContact O-NH2 2.99Å; R322-R325 PolarHBondContact NH1-O 3.2Å |
| 326 | R | 87.1 | Confident | 78.1 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 4% | 0.038 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 149.4 | 177.5 | -66.5 | 163.7 | -173.8 | 83.2 | -6 | 111.3 | L251 N252 I254 Q257 E303 | L251-R326 PolarHBondContact O-NH2 2.84Å; N252-R326 PolarHBondContact O-NH2 2.79Å; I254-R326 WeakPolarHBondContact O-CD 3.42Å; I254-R326 PolarHBondContact O-NE 3.03Å; Q257-R326 HydrophobicContact CB-CB 3.83Å; E303-R326 WeakPolarHBondContact OE1-CB 3.34Å; E303-R326 VanDerWaalsContact OE1-CG 3.28Å; E303-R326 WeakPolarHBondContact OE1-CG 3.26Å; E303-R326 IonicContact OE1-CZ 2.69Å; E303-R326 PolarHBondContact OE1-N 2.85Å; E303-R326 IonicContact OE1-NH1 3.25Å; E303-R326 PolarHBondContact OE1-NH1 3.49Å |
| 327 | M | 85.8 | Confident | 78.4 | Confident | 99 Ų | 99 | 70.5 Ų | 70.5 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -84.2 | 162 | 171.2 | -57.6 | -171.8 | 83.2 | 0 | 0 | 110.1 | D256 Q257 Q331 | D256-M327 WeakPolarHBondContact CA-O 3.45Å; Q257-M327 WeakPolarHBondContact CB-O 3.15Å; Q257-M327 PolarHBondContact N-O 2.87Å; M327-Q331 HydrophobicContact CB-CB 4.12Å; M327-Q331 HydrophobicContact CE-CB 3.89Å; M327-Q331 HydrophobicContact CE-CG 4.49Å |
| 328 | S | 84.3 | Confident | 78.6 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 152.9 | 169 | 68.6 | 0 | 0 | 0 | 0 | 111 | V330 Q331 F332 | S328-V330 PolarHBondContact O-N 3.08Å; S328-V330 VanDerWaalsContact O-N 3.16Å; S328-Q331 VanDerWaalsContact N-OE1 3.17Å; S328-Q331 WeakPolarHBondContact O-CA 3.49Å; S328-Q331 WeakPolarHBondContact O-CB 3.32Å; S328-Q331 PolarHBondContact O-N 2.75Å; S328-Q331 WeakPolarHBondContact OG-CG 3.06Å; S328-Q331 PolarHBondContact OG-OE1 2.85Å; S328-F332 PolarHBondContact O-N 3Å |
| 329 | R | 83.4 | Confident | 78.6 | Confident | 60 Ų | 60 | 73.1 Ų | 73.1 | 23% | 0.226 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.7 | -32.6 | -178.6 | -176.7 | 147.3 | 39 | 119.6 | -16.9 | 112.7 | D256 D258 D262 Q331 F332 M333 | D256-R329 HydrophobicContact CB-CB 4.2Å; D256-R329 WeakPolarHBondContact OD1-CB 3.4Å; D256-R329 IonicContact OD1-NE 3.69Å; D258-R329 HydrophobicContact CB-CB 3.92Å; D258-R329 WeakPolarHBondContact OD2-CB 3.48Å; D258-R329 PolarHBondContact OD2-N 3.45Å; D262-R329 IonicContact OD2-NH2 2.8Å; D262-R329 PolarHBondContact OD2-NH2 2.93Å; R329-Q331 VanDerWaalsContact C-N 3.28Å; R329-Q331 PolarHBondContact O-N 2.69Å; R329-F332 PolarHBondContact O-N 2.95Å; R329-M333 HydrophobicContact CG-CG 4.12Å; R329-M333 VanDerWaalsContact O-CB 3.32Å; R329-M333 WeakPolarHBondContact O-CB 3.49Å; R329-M333 WeakPolarHBondContact O-CG 3.31Å; R329-M333 PolarHBondContact O-N 3.25Å |
| 330 | V | 78.9 | Confident | 78.5 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72.3 | -20.2 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | S328 K334 | S328-V330 PolarHBondContact O-N 3.08Å; S328-V330 VanDerWaalsContact O-N 3.16Å; V330-K334 WeakPolarHBondContact O-CD 3.18Å; V330-K334 VanDerWaalsContact O-CE 3.29Å; V330-K334 WeakPolarHBondContact O-CE 3.26Å |
| 331 | Q | 83.4 | Confident | 78.2 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -89.8 | -43.4 | 171.7 | -71.6 | 156.2 | -23.9 | 0 | 0 | 111.1 | M327 S328 R329 M333 K334 D1458 | M327-Q331 HydrophobicContact CB-CB 4.12Å; M327-Q331 HydrophobicContact CE-CB 3.89Å; M327-Q331 HydrophobicContact CE-CG 4.49Å; S328-Q331 VanDerWaalsContact N-OE1 3.17Å; S328-Q331 WeakPolarHBondContact O-CA 3.49Å; S328-Q331 WeakPolarHBondContact O-CB 3.32Å; S328-Q331 PolarHBondContact O-N 2.75Å; S328-Q331 WeakPolarHBondContact OG-CG 3.06Å; S328-Q331 PolarHBondContact OG-OE1 2.85Å; R329-Q331 VanDerWaalsContact C-N 3.28Å; R329-Q331 PolarHBondContact O-N 2.69Å; Q331-M333 PolarHBondContact O-N 3.11Å; Q331-K334 WeakPolarHBondContact O-CB 3.39Å; Q331-K334 PolarHBondContact O-N 3.4Å; Q331-K334 VanDerWaalsContact O-N 3.1Å; Q331-D1458 PolarHBondContact NE2-OD2 2.93Å |
| 332 | F | 82.9 | Confident | 77.6 | Confident | 15 Ų | 15 | 69 Ų | 69 | 7% | 0.066 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 177.9 | 178.3 | -111.7 | 0 | 0 | 0 | 112.6 | P255 D256 S328 R329 K334 T335 E337 G338 L341 | P255-F332 HydrophobicContact CB-CD1 4.27Å; P255-F332 HydrophobicContact CB-CD2 4.23Å; P255-F332 HydrophobicContact CB-CE1 3.84Å; P255-F332 HydrophobicContact CB-CE2 3.79Å; P255-F332 HydrophobicContact CB-CG 4.47Å; P255-F332 HydrophobicContact CB-CZ 3.58Å; P255-F332 HydrophobicContact CG-CD1 4.09Å; P255-F332 HydrophobicContact CG-CE1 3.52Å; P255-F332 HydrophobicContact CG-CE2 4.39Å; P255-F332 HydrophobicContact CG-CZ 3.71Å; D256-F332 HydrophobicContact CB-CB 4.11Å; D256-F332 HydrophobicContact CB-CD1 4.26Å; D256-F332 HydrophobicContact CB-CG 4.37Å; S328-F332 PolarHBondContact O-N 3Å; R329-F332 PolarHBondContact O-N 2.95Å; F332-K334 PolarHBondContact O-N 3.29Å; F332-T335 PolarHBondContact O-N 2.98Å; F332-T335 PolarHBondContact O-OG1 2.96Å; F332-T335 VanDerWaalsContact O-OG1 3.09Å; F332-E337 HydrophobicContact CE2-CB 3.86Å; F332-E337 HydrophobicContact CZ-CB 4.15Å; F332-G338 WeakPolarHBondContact O-CA 3.5Å; F332-L341 HydrophobicContact CE1-CD1 4.29Å |
| 333 | M | 81.2 | Confident | 76.7 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 9.8 | 174 | -61.8 | -80.7 | 94.7 | 0 | 0 | 114.5 | R329 Q331 L341 L342 | R329-M333 HydrophobicContact CG-CG 4.12Å; R329-M333 VanDerWaalsContact O-CB 3.32Å; R329-M333 WeakPolarHBondContact O-CB 3.49Å; R329-M333 WeakPolarHBondContact O-CG 3.31Å; R329-M333 PolarHBondContact O-N 3.25Å; Q331-M333 PolarHBondContact O-N 3.11Å; M333-L341 HydrophobicContact CE-CD2 4.3Å; M333-L342 HydrophobicContact CE-CG 4.4Å; M333-L342 HydrophobicContact SD-CD1 3.85Å; M333-L342 HydrophobicContact SD-CD2 3.95Å; M333-L342 HydrophobicContact SD-CG 3.85Å |
| 334 | K | 79.1 | Confident | 75.9 | Confident | 155 Ų | 155 | 63.8 Ų | 63.8 | 67% | 0.674 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | 4.8 | 172 | -58.8 | 178.4 | -177.1 | 178.4 | 0 | 112.8 | V330 Q331 F332 | V330-K334 WeakPolarHBondContact O-CD 3.18Å; V330-K334 VanDerWaalsContact O-CE 3.29Å; V330-K334 WeakPolarHBondContact O-CE 3.26Å; Q331-K334 WeakPolarHBondContact O-CB 3.39Å; Q331-K334 PolarHBondContact O-N 3.4Å; Q331-K334 VanDerWaalsContact O-N 3.1Å; F332-K334 PolarHBondContact O-N 3.29Å |
| 335 | T | 80.5 | Confident | 74.9 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -90.7 | 156.4 | 167.8 | 72.8 | 0 | 0 | 0 | 0 | 109.2 | F332 E337 G338 E339 | F332-T335 PolarHBondContact O-N 2.98Å; F332-T335 PolarHBondContact O-OG1 2.96Å; F332-T335 VanDerWaalsContact O-OG1 3.09Å; T335-E337 PolarHBondContact O-N 3.06Å; T335-E337 PolarHBondContact OG1-N 2.83Å; T335-G338 PolarHBondContact O-N 3.28Å; T335-G338 PolarHBondContact OG1-N 2.9Å; T335-E339 PolarHBondContact O-N 3.15Å |
| 336 | P | 71.3 | Confident | 73.5 | Confident | 105 Ų | 105 | 67.4 Ų | 67.4 | 68% | 0.682 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -56.8 | -29.4 | 173.2 | -26.1 | 35.8 | 0 | 0 | 0 | 113.1 | E339 A340 | P336-E339 PolarHBondContact O-N 2.75Å; P336-A340 VanDerWaalsContact O-CB 3.24Å; P336-A340 WeakPolarHBondContact O-CB 3.4Å; P336-A340 PolarHBondContact O-N 2.85Å |
| 337 | E | 70.4 | Confident | 71.3 | Confident | 134 Ų | 134 | 70.8 Ų | 70.8 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | 174 | -58.9 | 154.7 | -177.4 | 0 | 0 | 111.6 | F332 T335 L341 | F332-E337 HydrophobicContact CE2-CB 3.86Å; F332-E337 HydrophobicContact CZ-CB 4.15Å; T335-E337 PolarHBondContact O-N 3.06Å; T335-E337 PolarHBondContact OG1-N 2.83Å; E337-L341 VanDerWaalsContact O-CB 3.29Å; E337-L341 WeakPolarHBondContact O-CB 3.31Å; E337-L341 PolarHBondContact O-N 2.73Å |
| 338 | G | 73.5 | Confident | 68.9 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F332 T335 L341 L342 | F332-G338 WeakPolarHBondContact O-CA 3.5Å; T335-G338 PolarHBondContact O-N 3.28Å; T335-G338 PolarHBondContact OG1-N 2.9Å; G338-L341 PolarHBondContact O-N 3.1Å; G338-L342 WeakPolarHBondContact O-CG 3.47Å; G338-L342 PolarHBondContact O-N 2.74Å |
| 339 | E | 71.1 | Confident | 66.3 | Low | 118 Ų | 118 | 72 Ų | 72 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.2 | -43.6 | 174.3 | -66.7 | -177.9 | 164.4 | 0 | 0 | 111.5 | T335 P336 L341 L342 S343 | T335-E339 PolarHBondContact O-N 3.15Å; P336-E339 PolarHBondContact O-N 2.75Å; E339-L341 PolarHBondContact O-N 3.24Å; E339-L342 WeakPolarHBondContact O-CB 3.18Å; E339-L342 PolarHBondContact O-N 2.95Å; E339-S343 PolarHBondContact O-N 3.37Å; E339-S343 PolarHBondContact O-OG 3.13Å; E339-S343 VanDerWaalsContact O-OG 3.11Å |
| 340 | A | 69.9 | Low | 63.9 | Low | 54 Ų | 54 | 72 Ų | 72 | 45% | 0.446 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | P336 S343 S344 | P336-A340 VanDerWaalsContact O-CB 3.24Å; P336-A340 WeakPolarHBondContact O-CB 3.4Å; P336-A340 PolarHBondContact O-N 2.85Å; A340-S343 PolarHBondContact O-N 2.8Å; A340-S344 WeakPolarHBondContact O-CB 3.45Å; A340-S344 PolarHBondContact O-N 2.86Å |
| 341 | L | 67.7 | Low | 61.6 | Low | 11 Ų | 11 | 72 Ų | 72 | 6% | 0.058 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.4 | -174.4 | 148.9 | 0 | 0 | 0 | 111.2 | M200 M203 F332 M333 E337 G338 E339 S344 M345 | M200-L341 HydrophobicContact CE-CB 4.06Å; M200-L341 HydrophobicContact CE-CD1 4.47Å; M200-L341 HydrophobicContact CE-CG 4.13Å; M203-L341 HydrophobicContact CG-CD1 4.39Å; F332-L341 HydrophobicContact CE1-CD1 4.29Å; M333-L341 HydrophobicContact CE-CD2 4.3Å; E337-L341 VanDerWaalsContact O-CB 3.29Å; E337-L341 WeakPolarHBondContact O-CB 3.31Å; E337-L341 PolarHBondContact O-N 2.73Å; G338-L341 PolarHBondContact O-N 3.1Å; E339-L341 PolarHBondContact O-N 3.24Å; L341-S344 PolarHBondContact O-N 3.18Å; L341-M345 HydrophobicContact CD2-CG 4Å; L341-M345 HydrophobicContact CD2-SD 4.14Å; L341-M345 HydrophobicContact CG-CG 4.49Å; L341-M345 VanDerWaalsContact O-CB 3.26Å; L341-M345 WeakPolarHBondContact O-CB 3.25Å; L341-M345 VanDerWaalsContact O-CG 3.23Å; L341-M345 WeakPolarHBondContact O-CG 3.49Å; L341-M345 PolarHBondContact O-N 3.15Å |
| 342 | L | 66.5 | Low | 59.2 | Low | 51 Ų | 51 | 76.1 Ų | 76.1 | 27% | 0.267 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 172.9 | -73.9 | 168.4 | 0 | 0 | 0 | 111.3 | M333 G338 E339 M345 H346 M358 | M333-L342 HydrophobicContact CE-CG 4.4Å; M333-L342 HydrophobicContact SD-CD1 3.85Å; M333-L342 HydrophobicContact SD-CD2 3.95Å; M333-L342 HydrophobicContact SD-CG 3.85Å; G338-L342 WeakPolarHBondContact O-CG 3.47Å; G338-L342 PolarHBondContact O-N 2.74Å; E339-L342 WeakPolarHBondContact O-CB 3.18Å; E339-L342 PolarHBondContact O-N 2.95Å; L342-M345 PolarHBondContact O-N 3.3Å; L342-H346 PolarHBondContact O-CD2 3.11Å; L342-H346 PolarHBondContact O-N 3.47Å; L342-M358 HydrophobicContact CD2-CE 4.19Å |
| 343 | S | 60.7 | Low | 56.7 | Low | 84 Ų | 84 | 78.8 Ų | 78.8 | 59% | 0.587 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.7 | -47 | 178.4 | -59.6 | 0 | 0 | 0 | 0 | 112.9 | E339 A340 H346 A347 | E339-S343 PolarHBondContact O-N 3.37Å; E339-S343 PolarHBondContact O-OG 3.13Å; E339-S343 VanDerWaalsContact O-OG 3.11Å; A340-S343 PolarHBondContact O-N 2.8Å; S343-H346 PolarHBondContact O-N 3.31Å; S343-A347 PolarHBondContact O-N 3.24Å |
| 344 | S | 56.6 | Low | 54.4 | Low | 55 Ų | 55 | 81 Ų | 81 | 39% | 0.385 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 174.9 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | A340 L341 H346 A347 | A340-S344 WeakPolarHBondContact O-CB 3.45Å; A340-S344 PolarHBondContact O-N 2.86Å; L341-S344 PolarHBondContact O-N 3.18Å; S344-H346 VanDerWaalsContact C-N 3.28Å; S344-H346 PolarHBondContact O-N 2.74Å; S344-A347 WeakPolarHBondContact O-CB 3.49Å; S344-A347 PolarHBondContact O-N 2.64Å |
| 345 | M | 57.5 | Low | 52.2 | Low | 51 Ų | 51 | 76.7 Ų | 76.7 | 25% | 0.251 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66 | -26.5 | 178.1 | -77.4 | -137.9 | 71.9 | 0 | 0 | 114.3 | K207 L341 L342 A347 L348 | K207-M345 HydrophobicContact CD-CE 3.6Å; K207-M345 HydrophobicContact CD-SD 3.84Å; K207-M345 PolarHBondContact NZ-SD 2.9Å; L341-M345 HydrophobicContact CD2-CG 4Å; L341-M345 HydrophobicContact CD2-SD 4.14Å; L341-M345 HydrophobicContact CG-CG 4.49Å; L341-M345 VanDerWaalsContact O-CB 3.26Å; L341-M345 WeakPolarHBondContact O-CB 3.25Å; L341-M345 VanDerWaalsContact O-CG 3.23Å; L341-M345 WeakPolarHBondContact O-CG 3.49Å; L341-M345 PolarHBondContact O-N 3.15Å; L342-M345 PolarHBondContact O-N 3.3Å; M345-A347 VanDerWaalsContact C-N 3.34Å; M345-L348 HydrophobicContact CE-CD1 4.49Å |
| 346 | H | 52.2 | Low | 50.1 | Low | 143 Ų | 143 | 78.3 Ų | 78.3 | 66% | 0.662 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -79.5 | -11.7 | 176 | -81.8 | -60.8 | 0 | 0 | 0 | 114.1 | L342 S343 S344 | L342-H346 PolarHBondContact O-CD2 3.11Å; L342-H346 PolarHBondContact O-N 3.47Å; S343-H346 PolarHBondContact O-N 3.31Å; S344-H346 VanDerWaalsContact C-N 3.28Å; S344-H346 PolarHBondContact O-N 2.74Å |
| 347 | A | 40 | Very low | 48.4 | Very low | 82 Ų | 82 | 76.7 Ų | 76.7 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -19.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S343 S344 M345 | S343-A347 PolarHBondContact O-N 3.24Å; S344-A347 WeakPolarHBondContact O-CB 3.49Å; S344-A347 PolarHBondContact O-N 2.64Å; M345-A347 VanDerWaalsContact C-N 3.34Å |
| 348 | L | 35.5 | Very low | 46.8 | Very low | 33 Ų | 33 | 73.9 Ų | 73.9 | 17% | 0.173 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -68.7 | 124.2 | -178.4 | -75.5 | 167.6 | 0 | 0 | 0 | 111.9 | E164 P166 M345 T350 | E164-L348 VanDerWaalsContact O-CD2 3.26Å; E164-L348 WeakPolarHBondContact O-CD2 3.28Å; P166-L348 HydrophobicContact CG-CD2 4.46Å; M345-L348 HydrophobicContact CE-CD1 4.49Å; L348-T350 PolarHBondContact O-N 3.32Å |
| 349 | P | 30.2 | Very low | 45.1 | Very low | 123 Ų | 123 | 79.3 Ų | 79.3 | 80% | 0.799 | 47% | 0.471 | S | S | * | . | trans | -77.3 | 66.4 | -178.2 | 32.6 | -36.5 | 0 | 0 | 0 | 112.3 | ||||
| 350 | T | 33 | Very low | 43.6 | Very low | 61 Ų | 61 | 80.4 Ų | 80.4 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | trans | -103.6 | 137.2 | 173.1 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | L348 M354 | L348-T350 PolarHBondContact O-N 3.32Å; T350-M354 HydrophobicContact CG2-CG 4.33Å; T350-M354 HydrophobicContact CG2-SD 3.73Å | ||
| 351 | S | 29.4 | Very low | 42 | Very low | 91 Ų | 91 | 83.1 Ų | 83.1 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | trans | -33.4 | 140.4 | 179.6 | 178.2 | 0 | 0 | 0 | 0 | 115.8 | S353 M354 | S351-S353 PolarHBondContact O-N 2.91Å; S351-M354 PolarHBondContact O-N 3.38Å; S351-M354 VanDerWaalsContact O-N 3.16Å | ||
| 352 | Q | 33.6 | Very low | 40.6 | Very low | 152 Ų | 152 | 88.2 Ų | 88.2 | 71% | 0.71 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -17.5 | -177.4 | -68.2 | -177.7 | -17.4 | 0 | 0 | 114.9 | M354 | Q352-M354 VanDerWaalsContact C-N 3.34Å; Q352-M354 PolarHBondContact O-N 3.28Å |
| 353 | S | 31.7 | Very low | 39.3 | Very low | 72 Ų | 72 | 89.4 Ų | 89.4 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.3 | -36.4 | 174.7 | -166.2 | 0 | 0 | 0 | 0 | 114.7 | S351 S356 | S351-S353 PolarHBondContact O-N 2.91Å; S353-S356 PolarHBondContact O-OG 2.78Å |
| 354 | M | 33 | Very low | 38 | Very low | 96 Ų | 96 | 94.3 Ų | 94.3 | 47% | 0.473 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -78.4 | -28.4 | -170.7 | -76.1 | -166 | 163.2 | 0 | 0 | 114.1 | A211 T350 S351 Q352 S356 D357 M358 | A211-M354 HydrophobicContact CB-CE 4.28Å; T350-M354 HydrophobicContact CG2-CG 4.33Å; T350-M354 HydrophobicContact CG2-SD 3.73Å; S351-M354 PolarHBondContact O-N 3.38Å; S351-M354 VanDerWaalsContact O-N 3.16Å; Q352-M354 VanDerWaalsContact C-N 3.34Å; Q352-M354 PolarHBondContact O-N 3.28Å; M354-S356 VanDerWaalsContact C-N 3.31Å; M354-S356 PolarHBondContact O-N 2.96Å; M354-D357 PolarHBondContact O-N 2.81Å; M354-M358 PolarHBondContact O-N 3.4Å |
| 355 | A | 32.2 | Very low | 36.8 | Very low | 64 Ų | 64 | 98 Ų | 98 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D357 M358 D359 | A355-D357 VanDerWaalsContact C-N 3.32Å; A355-D357 PolarHBondContact O-N 3.25Å; A355-M358 PolarHBondContact O-N 3.4Å; A355-D359 PolarHBondContact O-N 2.83Å |
| 356 | S | 35.6 | Very low | 35.8 | Very low | 65 Ų | 65 | 99.6 Ų | 99.6 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.1 | -26 | 178.1 | 31 | 0 | 0 | 0 | 0 | 114.8 | S353 M354 R360 | S353-S356 PolarHBondContact O-OG 2.78Å; M354-S356 VanDerWaalsContact C-N 3.31Å; M354-S356 PolarHBondContact O-N 2.96Å; S356-R360 WeakPolarHBondContact O-CG 3.17Å; S356-R360 PolarHBondContact O-N 3.35Å |
| 357 | D | 36.8 | Very low | 34.8 | Very low | 70 Ų | 70 | 101.8 Ų | 101.8 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -86.8 | -29.1 | 178.1 | -77.9 | -42.8 | 0 | 0 | 0 | 113 | M354 A355 R360 M361 | M354-D357 PolarHBondContact O-N 2.81Å; A355-D357 VanDerWaalsContact C-N 3.32Å; A355-D357 PolarHBondContact O-N 3.25Å; D357-R360 WeakPolarHBondContact O-CB 3.27Å; D357-R360 PolarHBondContact O-N 2.88Å; D357-R360 WeakPolarHBondContact OD1-CD 3.44Å; D357-R360 IonicContact OD1-CZ 2.79Å; D357-R360 IonicContact OD1-NH1 3.14Å; D357-R360 PolarHBondContact OD1-NH1 2.8Å; D357-M361 WeakPolarHBondContact O-CG 3.39Å; D357-M361 PolarHBondContact O-N 3.05Å |
| 358 | M | 37.1 | Very low | 34.1 | Very low | 76 Ų | 76 | 107.5 Ų | 107.5 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.6 | -46.4 | 166.4 | -86.5 | -72.5 | -73.9 | 0 | 0 | 111.6 | L342 M354 A355 R360 M361 L362 | L342-M358 HydrophobicContact CD2-CE 4.19Å; M354-M358 PolarHBondContact O-N 3.4Å; A355-M358 PolarHBondContact O-N 3.4Å; M358-R360 VanDerWaalsContact C-N 3.33Å; M358-R360 PolarHBondContact O-N 3.32Å; M358-M361 PolarHBondContact O-N 2.74Å; M358-M361 VanDerWaalsContact O-N 3.11Å; M358-L362 WeakPolarHBondContact O-CG 3.38Å; M358-L362 PolarHBondContact O-N 2.88Å |
| 359 | D | 36.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 113.8 Ų | 113.8 | 61% | 0.61 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.8 | -39.3 | 177 | -165.4 | 32.4 | 0 | 0 | 0 | 111.4 | A355 S363 | A355-D359 PolarHBondContact O-N 2.83Å; D359-S363 WeakPolarHBondContact O-CB 3.34Å; D359-S363 PolarHBondContact O-N 3.2Å |
| 360 | R | 40.7 | Very low | 33.7 | Very low | 140 Ų | 140 | 116.6 Ų | 116.6 | 53% | 0.528 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62 | -40.2 | 169.6 | -86.7 | 170.1 | 157.8 | -178.7 | -0.2 | 113.9 | S356 D357 M358 R364 | S356-R360 WeakPolarHBondContact O-CG 3.17Å; S356-R360 PolarHBondContact O-N 3.35Å; D357-R360 WeakPolarHBondContact O-CB 3.27Å; D357-R360 PolarHBondContact O-N 2.88Å; D357-R360 WeakPolarHBondContact OD1-CD 3.44Å; D357-R360 IonicContact OD1-CZ 2.79Å; D357-R360 IonicContact OD1-NH1 3.14Å; D357-R360 PolarHBondContact OD1-NH1 2.8Å; M358-R360 VanDerWaalsContact C-N 3.33Å; M358-R360 PolarHBondContact O-N 3.32Å; R360-R364 VanDerWaalsContact O-CB 3.29Å; R360-R364 WeakPolarHBondContact O-CB 3.46Å; R360-R364 WeakPolarHBondContact O-CD 3.47Å; R360-R364 WeakPolarHBondContact O-CG 3.44Å; R360-R364 PolarHBondContact O-N 3.1Å |
| 361 | M | 36.2 | Very low | 33.4 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 55% | 0.547 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.8 | -45.1 | 179.4 | -75.8 | -168.4 | 83.9 | 0 | 0 | 111.4 | D357 M358 R364 | D357-M361 WeakPolarHBondContact O-CG 3.39Å; D357-M361 PolarHBondContact O-N 3.05Å; M358-M361 PolarHBondContact O-N 2.74Å; M358-M361 VanDerWaalsContact O-N 3.11Å; M361-R364 PolarHBondContact O-N 3.05Å |
| 362 | L | 38.2 | Very low | 33.3 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 62% | 0.618 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.8 | -45.9 | 176.3 | -67.4 | 171.2 | 0 | 0 | 0 | 111.1 | M358 R364 | M358-L362 WeakPolarHBondContact O-CG 3.38Å; M358-L362 PolarHBondContact O-N 2.88Å; L362-R364 VanDerWaalsContact C-N 3.27Å; L362-R364 PolarHBondContact O-N 3.29Å |
| 363 | S | 38.4 | Very low | 32.9 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 54% | 0.538 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.8 | -27 | 178 | -162.9 | 0 | 0 | 0 | 0 | 113.6 | D359 | D359-S363 WeakPolarHBondContact O-CB 3.34Å; D359-S363 PolarHBondContact O-N 3.2Å |
| 364 | R | 34.2 | Very low | 32.7 | Very low | 187 Ų | 187 | 126.8 Ų | 126.8 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -79.4 | -28.5 | -176.2 | -82.9 | 172.5 | 175 | -176.8 | -1.2 | 115.5 | R360 M361 L362 | R360-R364 VanDerWaalsContact O-CB 3.29Å; R360-R364 WeakPolarHBondContact O-CB 3.46Å; R360-R364 WeakPolarHBondContact O-CD 3.47Å; R360-R364 WeakPolarHBondContact O-CG 3.44Å; R360-R364 PolarHBondContact O-N 3.1Å; M361-R364 PolarHBondContact O-N 3.05Å; L362-R364 VanDerWaalsContact C-N 3.27Å; L362-R364 PolarHBondContact O-N 3.29Å |
| 365 | K | 31.5 | Very low | 32.3 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 58% | 0.578 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.2 | -20 | 174.7 | -84.8 | -174.3 | 174.6 | -179.6 | 0 | 112.9 | D258 K367 | D258-K365 IonicContact OD1-NZ 3.93Å; D258-K365 PolarHBondContact OD1-NZ 2.99Å; K365-K367 VanDerWaalsContact C-N 3.28Å; K365-K367 PolarHBondContact O-N 2.63Å; K365-K367 VanDerWaalsContact O-N 3.13Å |
| 366 | S | 35.2 | Very low | 32.1 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 15.5 | -174.5 | -164.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 367 | K | 30.8 | Very low | 31.6 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 82% | 0.817 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | 14.3 | -176.6 | -80.9 | -173.8 | 175.5 | 176.4 | 0 | 116.4 | K365 | K365-K367 VanDerWaalsContact C-N 3.28Å; K365-K367 PolarHBondContact O-N 2.63Å; K365-K367 VanDerWaalsContact O-N 3.13Å |
| 368 | R | 26.9 | Very low | 31.1 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -127.7 | 2.5 | 179 | -142.9 | 171 | -173.5 | 166.2 | 2.6 | 116.5 | ||
| 369 | F | 27.8 | Very low | 30.6 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -134.3 | 22.1 | 178.3 | -83.9 | -79.9 | 0 | 0 | 0 | 114.7 | ||
| 370 | Q | 27.9 | Very low | 30.3 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -115 | 64.1 | 164.2 | -77.3 | -169.4 | -10.3 | 0 | 0 | 110.7 | ||
| 371 | S | 27.7 | Very low | 29.7 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -155.6 | 151.6 | 160.1 | -166.9 | 0 | 0 | 0 | 0 | 107.7 | ||
| 372 | V | 27.1 | Very low | 29.6 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 68.6 | 37.2 | -171.1 | -153.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 373 | E | 26.1 | Very low | 28.9 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -147.1 | 60.1 | 151.3 | -153.7 | 169.1 | -130.1 | 0 | 0 | 112.2 | ||
| 374 | N | 26.3 | Very low | 28.5 | Very low | 159 Ų | 159 | 149 Ų | 149 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -167 | 67.6 | 164.1 | -110 | -47.6 | 0 | 0 | 0 | 110.7 | ||||
| 375 | L | 24.5 | Very low | 28.3 | Very low | 161 Ų | 161 | 145 Ų | 145 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -136.7 | 28.2 | -179.8 | -118.4 | 172.4 | 0 | 0 | 0 | 114 | ||||
| 376 | Q | 28.2 | Very low | 28.2 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -148.9 | 48.4 | 172 | -125.5 | 163.1 | 3.6 | 0 | 0 | 114 | ||
| 377 | N | 26.4 | Very low | 28 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | -154 | 61.9 | 157.6 | -107.8 | -23.7 | 0 | 0 | 0 | 111.3 | ||||
| 378 | S | 25.9 | Very low | 27.8 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -116.5 | 99.9 | 174.5 | 56.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 379 | G | 27 | Very low | 27.9 | Very low | 66 Ų | 66 | 144.3 Ų | 144.3 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -157.4 | 120.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 380 | L | 29.4 | Very low | 27.9 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 70.5 | 144.5 | -171.2 | -54.5 | 159.9 | 0 | 0 | 0 | 114.7 | ||||
| 381 | S | 28.9 | Very low | 27.9 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | -173.6 | 144.2 | -68.9 | 51.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 382 | K | 32.8 | Very low | 28 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | 69.9 | 125 | 177 | -48.6 | 167.5 | -172.4 | 175.2 | 0 | 112.4 | ||||
| 383 | S | 24.2 | Very low | 28.1 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | cis | 62.6 | 99.3 | 11.7 | -166.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 384 | V | 30.7 | Very low | 28.3 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | -134.3 | 138.5 | 121.1 | 177 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 385 | T | 29.3 | Very low | 28.2 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 63% | 0.632 | 77% | 0.774 | S | S | * | * | trans | -110.5 | -179.9 | -174.4 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 386 | N | 29.3 | Very low | 28.4 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 82.1 | 139.8 | 171.1 | -52.6 | 12.2 | 0 | 0 | 0 | 113.9 | ||||
| 387 | T | 30 | Very low | 28.4 | Very low | 113 Ų | 113 | 140 Ų | 140 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | cis | -165 | 161.3 | -10.4 | 19.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 388 | N | 28.2 | Very low | 28.3 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | cis | -155.2 | 145.9 | 9.3 | -113.3 | -28 | 0 | 0 | 0 | 108.8 | ||||
| 389 | F | 27.8 | Very low | 28.3 | Very low | 204 Ų | 204 | 143.7 Ų | 143.7 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | trans | -163.2 | 139.9 | 132.1 | -115.2 | -74.3 | 0 | 0 | 0 | 110.3 | ||||
| 390 | H | 27.5 | Very low | 28.3 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -74.9 | 152.9 | 179.2 | -91.1 | -27.9 | 0 | 0 | 0 | 112.4 | H392 | H390-H392 AromaticContact CE1-CD2 3.67Å; H390-H392 AromaticContact ND1-CD2 3.82Å | ||
| 391 | P | 29 | Very low | 28 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | -128.4 | 111.3 | 120.7 | 34.5 | -27.5 | 0 | 0 | 0 | 113.7 | |||||
| 392 | H | 29.7 | Very low | 27.9 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | -129.7 | 142.9 | 157.3 | -74 | -67.1 | 0 | 0 | 0 | 106.2 | H390 | H390-H392 AromaticContact CE1-CD2 3.67Å; H390-H392 AromaticContact ND1-CD2 3.82Å | ||
| 393 | T | 29.1 | Very low | 27.6 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | cis | -166.5 | 168 | -6.5 | 15.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 394 | K | 30.3 | Very low | 27.6 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 75.4 | 113 | 159.4 | -70.9 | 166.7 | -177.2 | -179.6 | 0 | 119.1 | ||||
| 395 | Q | 24.7 | Very low | 27.3 | Very low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -11.6 | 127.5 | 136.7 | -59.2 | 160.2 | -58.7 | 0 | 0 | 117.2 | ||||
| 396 | T | 28.7 | Very low | 27.2 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | -152.4 | 145.8 | 122.6 | 1.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 397 | E | 26.9 | Very low | 27.1 | Very low | 166 Ų | 166 | 150 Ų | 150 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 55.3 | 97.5 | 151.4 | -75.4 | 161 | -148.4 | 0 | 0 | 122 | K399 | E397-K399 PolarHBondContact O-N 3.3Š| ||
| 398 | H | 25.4 | Very low | 27 | Very low | 201 Ų | 201 | 154.5 Ų | 154.5 | 93% | 0.931 | 79% | 0.79 | S | S | * | * | trans | -55.9 | 92.1 | 136.9 | -125.3 | -112.2 | 0 | 0 | 0 | 110.2 | ||||
| 399 | K | 25 | Very low | 27 | Very low | 159 Ų | 159 | 152 Ų | 152 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -176 | 84.8 | 160.4 | -107.4 | 164.3 | -170.6 | 173.2 | 0 | 112.6 | E397 | E397-K399 PolarHBondContact O-N 3.3Š| ||
| 400 | L | 27.2 | Very low | 27 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | -157.7 | 78 | 147.8 | -146 | 75.8 | 0 | 0 | 0 | 113.6 | N402 F404 | L400-N402 WeakPolarHBondContact CG-O 3.25Å; L400-F404 HydrophobicContact CD2-CD2 3.98Å | ||
| 401 | V | 24 | Very low | 27.1 | Very low | 130 Ų | 130 | 152.5 Ų | 152.5 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -81.9 | 143.6 | 139.2 | 174.5 | 0 | 0 | 0 | 0 | 106.2 | ||
| 402 | N | 25.8 | Very low | 27.1 | Very low | 137 Ų | 137 | 152 Ų | 152 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 78.5 | 127.8 | -174.4 | -58.7 | -27.3 | 0 | 0 | 0 | 117.4 | L400 | L400-N402 WeakPolarHBondContact CG-O 3.25Š|
| 403 | A | 26.1 | Very low | 27.1 | Very low | 90 Ų | 90 | 151.7 Ų | 151.7 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | 67.6 | 60.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | L405 | A403-L405 VanDerWaalsContact C-N 3.3Å; A403-L405 PolarHBondContact O-N 3.03Å | ||
| 404 | F | 24.8 | Very low | 27 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -89.2 | 67.6 | 148.1 | -135.7 | -77 | 0 | 0 | 0 | 111 | L400 | L400-F404 HydrophobicContact CD2-CD2 3.98Š| ||
| 405 | L | 25.2 | Very low | 26.8 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -136.9 | 120 | 165.5 | -109.8 | 176.1 | 0 | 0 | 0 | 110 | A403 | A403-L405 VanDerWaalsContact C-N 3.3Å; A403-L405 PolarHBondContact O-N 3.03Å |
| 406 | A | 26.1 | Very low | 27 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | trans | 53.2 | 92.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 407 | K | 26.9 | Very low | 27 | Very low | 212 Ų | 212 | 150.4 Ų | 150.4 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | trans | -158.6 | 95.9 | 141.9 | -121.9 | 171.1 | -170.8 | 169.8 | 0 | 113.9 | ||||
| 408 | E | 27.8 | Very low | 27.1 | Very low | 207 Ų | 207 | 148 Ų | 148 | 97% | 0.967 | 77% | 0.77 | S | S | * | * | trans | -143.6 | 152.6 | 141.3 | -82.6 | -132.7 | 118.9 | 0 | 0 | 107.8 | ||||
| 409 | G | 29.3 | Very low | 27.4 | Very low | 82 Ų | 82 | 143 Ų | 143 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | 122.6 | 70.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 410 | K | 26.8 | Very low | 27.6 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | -115.7 | 128.8 | 168.4 | -87.6 | -170.2 | 174.2 | -174 | 0 | 109.9 | ||||
| 411 | H | 31.4 | Very low | 27.7 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.787 | 73% | 0.731 | S | S | * | * | trans | -167.3 | 125.5 | 134.2 | -96.9 | -68.4 | 0 | 0 | 0 | 105.4 | ||||
| 412 | N | 27.7 | Very low | 28.3 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | 62.3 | 129.6 | 91.5 | -66 | 45.6 | 0 | 0 | 0 | 111.9 | |||||
| 413 | E | 29.2 | Very low | 28.7 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | cis | -163.7 | 163.1 | 7.8 | -118.6 | 172.9 | -114.4 | 0 | 0 | 111.6 | ||||
| 414 | N | 27.2 | Very low | 28.7 | Very low | 123 Ų | 123 | 143 Ų | 143 | 66% | 0.658 | 72% | 0.72 | S | S | * | * | trans | 40 | 137.9 | 139.2 | -60.1 | -21.8 | 0 | 0 | 0 | 121.1 | ||||
| 415 | L | 27.4 | Very low | 28.9 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 81% | 0.812 | 71% | 0.712 | S | S | * | * | cis | -165 | 177.7 | 3.5 | -150.2 | 81.3 | 0 | 0 | 0 | 110.5 | ||||
| 416 | S | 27.3 | Very low | 28.8 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | trans | 94 | 109.6 | 148.1 | -172.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 417 | R | 29 | Very low | 28.8 | Very low | 213 Ų | 213 | 138.6 Ų | 138.6 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | 91.6 | 112.7 | 141 | -81.8 | -167.8 | 149.2 | 100.6 | 6.4 | 122 | ||||
| 418 | D | 29.4 | Very low | 28.8 | Very low | 114 Ų | 114 | 139 Ų | 139 | 61% | 0.61 | 71% | 0.705 | S | S | * | * | 79.8 | 111.3 | 130 | -51.7 | -16.6 | 0 | 0 | 0 | 118.7 | |||||
| 419 | D | 31.1 | Very low | 28.6 | Very low | 98 Ų | 98 | 137 Ų | 137 | 52% | 0.524 | 70% | 0.7 | S | S | . | * | trans | 85.2 | 143.3 | 146.1 | -60.7 | -15.4 | 0 | 0 | 0 | 120.6 | ||||
| 420 | K | 30.7 | Very low | 28.5 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 40% | 0.4 | 69% | 0.693 | S | S | . | * | cis | -159.9 | 145.3 | -10.8 | -109.7 | 158.4 | -177.3 | 137.8 | 0 | 111.8 | E615 I616 | K420-E615 VanDerWaalsContact CB-OE2 3.31Å; K420-E615 WeakPolarHBondContact CB-OE2 3.36Å; K420-E615 HydrophobicContact CD-CB 3.42Å; K420-E615 VanDerWaalsContact CD-CB 3.42Å; K420-E615 HydrophobicContact CD-CG 4.45Å; K420-E615 WeakPolarHBondContact CD-OE2 3.19Å; K420-E615 VanDerWaalsContact CE-CB 3.43Å; K420-E615 HydrophobicContact CG-CB 3.81Å; K420-E615 WeakPolarHBondContact CG-OE2 3.34Å; K420-I616 WeakPolarHBondContact CE-O 3.43Å; K420-I616 HydrophobicContact CG-CD1 4.24Å; K420-I616 WeakPolarHBondContact CG-O 3.5Å | ||
| 421 | R | 29.1 | Very low | 28.5 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 53% | 0.525 | 69% | 0.688 | S | S | . | * | trans | 58.5 | 93.9 | 168.1 | -134.4 | 164.3 | -121.7 | 162.5 | -1.9 | 122.4 | N614 E615 I616 L617 | R421-N614 PolarHBondContact NH1-OD1 3.06Å; R421-E615 WeakPolarHBondContact CD-OE1 3.45Å; R421-E615 IonicContact CZ-OE1 3.34Å; R421-E615 IonicContact NE-OE1 3.65Å; R421-E615 VanDerWaalsContact NH1-CD 3.34Å; R421-E615 IonicContact NH1-OE1 2.63Å; R421-E615 PolarHBondContact NH1-OE1 2.98Å; R421-I616 HydrophobicContact CB-CD1 3.43Å; R421-I616 VanDerWaalsContact CB-CD1 3.43Å; R421-I616 HydrophobicContact CG-CD1 3.43Å; R421-I616 VanDerWaalsContact CG-CD1 3.43Å; R421-I616 HydrophobicContact CG-CG1 4.32Å; R421-L617 VanDerWaalsContact N-CD1 3.32Å | ||
| 422 | K | 35.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | -112.5 | 160.5 | 121.7 | -81.2 | -167.5 | 177.2 | -176.1 | 0 | 108.2 | L617 | K422-L617 VanDerWaalsContact N-CD1 3.26Š| |||
| 423 | P | 34.2 | Very low | 28 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | -114.1 | 160.5 | 81.1 | -1.7 | 24 | 0 | 0 | 0 | 111.7 | |||||
| 424 | E | 26.8 | Very low | 27.9 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | 73.9 | 147.1 | 50.9 | -55.3 | 173.5 | -167.7 | 0 | 0 | 113.4 | |||||
| 425 | M | 27.9 | Very low | 27.8 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 70% | 0.704 | 72% | 0.716 | S | S | * | * | cis | -145.8 | 164.6 | 15 | -153.6 | 179.2 | -81.1 | 0 | 0 | 113.7 | ||||
| 426 | N | 24.9 | Very low | 27.6 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -11.3 | 138.6 | 160.1 | -47.2 | -24.9 | 0 | 0 | 0 | 116.5 | ||||
| 427 | G | 24.7 | Very low | 27.4 | Very low | 72 Ų | 72 | 147.4 Ų | 147.4 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | cis | 117 | 138.6 | 18.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 428 | Y | 27 | Very low | 27.3 | Very low | 219 Ų | 219 | 144.6 Ų | 144.6 | 86% | 0.859 | 73% | 0.728 | S | S | * | * | trans | -144.4 | 128.9 | 174.4 | -131.1 | -90.7 | 0 | 0 | 0 | 110 | ||||
| 429 | I | 24.8 | Very low | 27.1 | Very low | 167 Ų | 167 | 150 Ų | 150 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | -117.4 | 105.3 | 163.1 | -65.2 | 176.6 | 0 | 0 | 0 | 105.4 | ||||
| 430 | D | 25.9 | Very low | 26.7 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -161.5 | 166.8 | 147.3 | -126.4 | -31.7 | 0 | 0 | 0 | 111.5 | ||||
| 431 | N | 26.3 | Very low | 26.5 | Very low | 140 Ų | 140 | 153.5 Ų | 153.5 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 70.3 | 101 | 178.8 | -55.6 | -66.4 | 0 | 0 | 0 | 117.2 | ||||
| 432 | L | 27 | Very low | 26.3 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -129.3 | 44.4 | 149.8 | -118 | 179.4 | 0 | 0 | 0 | 112.8 | K434 | L432-K434 VanDerWaalsContact C-N 3.25Å; L432-K434 PolarHBondContact O-N 3.42Å | ||
| 433 | T | 22.6 | Very low | 25.9 | Very low | 138 Ų | 138 | 152.5 Ų | 152.5 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -85.3 | 67.1 | 164.3 | -50.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 434 | K | 26.8 | Very low | 25.6 | Very low | 190 Ų | 190 | 156.6 Ų | 156.6 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -160.5 | 95.3 | 167.7 | -114.1 | 168.1 | -174.9 | 179.2 | 0 | 110.9 | L432 | L432-K434 VanDerWaalsContact C-N 3.25Å; L432-K434 PolarHBondContact O-N 3.42Å | ||
| 435 | I | 25.1 | Very low | 25.5 | Very low | 152 Ų | 152 | 158.3 Ų | 158.3 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | trans | -101.2 | 143.9 | 163.9 | -73.5 | 176 | 0 | 0 | 0 | 107.3 | ||||
| 436 | Q | 23.9 | Very low | 25.6 | Very low | 180 Ų | 180 | 155.3 Ų | 155.3 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | S | Bend | trans | 62 | 82.5 | 178.6 | -69.3 | 171.6 | -65.8 | 0 | 0 | 116.5 | ||
| 437 | F | 23 | Very low | 25.6 | Very low | 196 Ų | 196 | 157.5 Ų | 157.5 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | S | Bend | -155.5 | 177 | 104.5 | -128.6 | -102.2 | 0 | 0 | 0 | 110.6 | |||
| 438 | N | 26.8 | Very low | 25.8 | Very low | 153 Ų | 153 | 158.9 Ų | 158.9 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | 58.2 | 84.3 | 178.3 | -66 | 1.8 | 0 | 0 | 0 | 116.1 | ||||
| 439 | R | 24.3 | Very low | 25.9 | Very low | 229 Ų | 229 | 151.6 Ų | 151.6 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -91.7 | 133.6 | 156.7 | 172.2 | -170.1 | -74 | 170.8 | -5 | 107.9 | ||||
| 440 | L | 23.2 | Very low | 26.1 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | 63.6 | 104.8 | 169.6 | -66.3 | 159.6 | 0 | 0 | 0 | 117.8 | ||||
| 441 | A | 25.6 | Very low | 26.1 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -170.2 | 151.4 | 134.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 442 | S | 26.7 | Very low | 26 | Very low | 125 Ų | 125 | 152 Ų | 152 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 97.5 | 58.5 | -179.7 | -53.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 443 | N | 25.3 | Very low | 26.1 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -135.2 | 112.7 | 138.2 | -114.5 | 2.6 | 0 | 0 | 0 | 106 | ||||
| 444 | E | 28.7 | Very low | 26.3 | Very low | 192 Ų | 192 | 152.1 Ų | 152.1 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -179.8 | 144.9 | 136.2 | -101.2 | 159.6 | -151.9 | 0 | 0 | 111.2 | ||||
| 445 | N | 25 | Very low | 26.2 | Very low | 170 Ų | 170 | 152 Ų | 152 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -112.7 | 138.7 | 168.1 | -53.2 | -70.2 | 0 | 0 | 0 | 106.8 | ||||
| 446 | G | 30.2 | Very low | 26.3 | Very low | 81 Ų | 81 | 151.5 Ų | 151.5 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 173.3 | 113 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 447 | E | 25.1 | Very low | 26.3 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -90.9 | 166.9 | 171.1 | -66.7 | 175 | 103.5 | 0 | 0 | 112 | ||||
| 448 | A | 28.3 | Very low | 26.8 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 96.9 | 134.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 449 | T | 28.8 | Very low | 26.7 | Very low | 66 Ų | 66 | 145.7 Ų | 145.7 | 41% | 0.405 | 79% | 0.786 | S | S | . | * | trans | -143.7 | 152.2 | 178.3 | 53.3 | 0 | 0 | 0 | 0 | 108.6 | N564 L565 | T449-N564 HydrophobicContact CG2-CB 4.47Å; T449-L565 VanDerWaalsContact OG1-CD2 3.31Å; T449-L565 WeakPolarHBondContact OG1-CD2 3.31Å | ||
| 450 | H | 30.3 | Very low | 26.8 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 60% | 0.597 | 78% | 0.78 | S | S | * | * | trans | 161.4 | 108.1 | 147.5 | -97.2 | -75.6 | 0 | 0 | 0 | 113.6 | L565 | H450-L565 HydrophobicContact CB-CD1 4.42Å; H450-L565 HydrophobicContact CB-CD2 4.28Å; H450-L565 WeakPolarHBondContact ND1-CD2 3.35Å | ||
| 451 | K | 25.4 | Very low | 27 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | -179.1 | 139.3 | 108.3 | -98.2 | 166.3 | -175.8 | 177.5 | 0 | 115.2 | L565 | K451-L565 VanDerWaalsContact N-CD1 3.31Š| |||
| 452 | L | 24.1 | Very low | 27.1 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 71% | 0.707 | 78% | 0.779 | S | S | * | * | trans | -110.3 | 162.8 | 161.6 | -92.3 | 168.3 | 0 | 0 | 0 | 111 | ||||
| 453 | P | 29.8 | Very low | 27.1 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -130.9 | 148.9 | 146.3 | 35.9 | -23.7 | 0 | 0 | 0 | 114.4 | ||||
| 454 | H | 25 | Very low | 27.1 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -70.8 | 169 | 174.9 | -96.4 | -74.2 | 0 | 0 | 0 | 114.3 | ||||
| 455 | F | 25.8 | Very low | 27 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | -166.9 | 133.7 | 111.8 | -107.3 | -73.6 | 0 | 0 | 0 | 114.3 | |||||
| 456 | D | 26.6 | Very low | 27 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 45.7 | 137.5 | 159.4 | -61.9 | -8.4 | 0 | 0 | 0 | 126.1 | ||||
| 457 | E | 23.7 | Very low | 27.2 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | -111.2 | 158.3 | 154.5 | -153.8 | -158.5 | -128.5 | 0 | 0 | 107.5 | ||||
| 458 | P | 33.5 | Very low | 27.2 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | -158.5 | 152.1 | 93.3 | 39.3 | -19.2 | 0 | 0 | 0 | 118.6 | |||||
| 459 | L | 24.7 | Very low | 27 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | trans | 40.6 | 123.1 | 136.2 | -57.7 | 168.5 | 0 | 0 | 0 | 122.2 | ||||
| 460 | T | 27.8 | Very low | 26.8 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | 175.5 | 147.4 | 94.4 | 31.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 461 | N | 26.3 | Very low | 26.4 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | 66.7 | 115.2 | 153.2 | -62.4 | -14.8 | 0 | 0 | 0 | 121.6 | ||||
| 462 | G | 28.3 | Very low | 26.2 | Very low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | 167.8 | 65.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 463 | Q | 26.4 | Very low | 26.1 | Very low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -2.1 | 144.1 | 155.4 | -65 | 173.3 | -97.6 | 0 | 0 | 118.3 | ||||
| 464 | V | 26.3 | Very low | 25.8 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 70% | 0.703 | 77% | 0.774 | S | S | * | * | cis | -173.1 | 157.6 | 13 | 110.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 465 | D | 25.8 | Very low | 25.7 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | cis | -151.4 | 170.1 | 5.5 | -135.1 | -41.6 | 0 | 0 | 0 | 112.4 | ||||
| 466 | S | 25.3 | Very low | 25.8 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -174.9 | 138.8 | 167.6 | -175.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 467 | P | 34.6 | Very low | 25.7 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 57% | 0.571 | 77% | 0.773 | S | S | * | * | cis | -150.3 | -168.1 | 45.3 | 43.4 | -22.5 | 0 | 0 | 0 | 115.5 | ||||
| 468 | Y | 25.3 | Very low | 25.8 | Very low | 221 Ų | 221 | 138.7 Ų | 138.7 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | -175.3 | 140.8 | 107.2 | -101.7 | -69.9 | 0 | 0 | 0 | 112.3 | |||||
| 469 | Y | 23.9 | Very low | 25.4 | Very low | 201 Ų | 201 | 138 Ų | 138 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -126.1 | 128.1 | 177.3 | -128.2 | -87.2 | 0 | 0 | 0 | 107.9 | ||||
| 470 | N | 23.4 | Very low | 25.3 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | 176.9 | 158.1 | 119.5 | -95.2 | -30.5 | 0 | 0 | 0 | 114 | |||||
| 471 | N | 22.4 | Very low | 25.2 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -72.9 | 150 | -172.4 | -47.5 | -49.1 | 0 | 0 | 0 | 113.3 | ||||
| 472 | S | 21.7 | Very low | 25 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | -138.3 | 168 | 128.2 | -162.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 473 | V | 21.8 | Very low | 24.9 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | trans | -106.8 | 135.1 | -173.8 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | V475 | V473-V475 HydrophobicContact CG1-CG2 3.86Š| ||
| 474 | D | 22.7 | Very low | 24.8 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | trans | -120.8 | 143.1 | 155.4 | -95.2 | -51 | 0 | 0 | 0 | 109.4 | ||||
| 475 | V | 22.9 | Very low | 25 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | -114.5 | 88.9 | -177.4 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | V473 | V473-V475 HydrophobicContact CG1-CG2 3.86Š| ||
| 476 | D | 27.4 | Very low | 25.4 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 89% | 0.888 | 70% | 0.696 | S | S | * | * | trans | -81.4 | 119.6 | 168.6 | -108.1 | -27.9 | 0 | 0 | 0 | 110.5 | N478 | D476-N478 PolarHBondContact O-N 3.24Š| ||
| 477 | S | 26.3 | Very low | 25.8 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 72% | 0.72 | 68% | 0.677 | S | S | * | * | trans | -86.2 | 89.5 | -175.6 | 45.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 478 | N | 24.9 | Very low | 25.8 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | -154.5 | 123.7 | 156 | -95.8 | -52.8 | 0 | 0 | 0 | 112 | D476 A480 | D476-N478 PolarHBondContact O-N 3.24Å; N478-A480 PolarHBondContact O-N 3.05Å; N478-A480 VanDerWaalsContact O-N 3.15Å | ||
| 479 | G | 24.3 | Very low | 25.9 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 95% | 0.948 | 68% | 0.676 | S | S | * | * | trans | -77.7 | 96.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 480 | A | 23.6 | Very low | 26.2 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | trans | -131.7 | 116 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N478 | N478-A480 PolarHBondContact O-N 3.05Å; N478-A480 VanDerWaalsContact O-N 3.15Å | ||
| 481 | I | 25.7 | Very low | 26.7 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 69% | 0.687 | 65% | 0.649 | S | S | * | * | trans | -67.1 | 135.4 | 167.5 | -60.5 | 175.5 | 0 | 0 | 0 | 107.8 | ||||
| 482 | K | 22.9 | Very low | 27.7 | Very low | 156 Ų | 156 | 110.5 Ų | 110.5 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | trans | -104.5 | 110.2 | 175 | -67.6 | -175.9 | 179.1 | 179.6 | 0 | 109.1 | P3 | P3-K482 WeakPolarHBondContact CG-O 3.19Š| ||
| 483 | T | 25.3 | Very low | 28.5 | Very low | 39 Ų | 39 | 105.1 Ų | 105.1 | 24% | 0.239 | 58% | 0.577 | C | S | . | * | trans | -86.4 | 162.7 | -177.8 | 28.6 | 0 | 0 | 0 | 0 | 112.9 | F41 E72 | F41-T483 HydrophobicContact CD1-CG2 4.37Å; F41-T483 HydrophobicContact CD2-CG2 3.96Å; F41-T483 HydrophobicContact CE1-CG2 4.07Å; F41-T483 HydrophobicContact CE2-CG2 3.62Å; F41-T483 HydrophobicContact CG-CG2 4.32Å; F41-T483 HydrophobicContact CZ-CG2 3.68Å; E72-T483 HydrophobicContact CB-CG2 4.41Å; E72-T483 VanDerWaalsContact CD-CB 3.46Å; E72-T483 VanDerWaalsContact CD-OG1 3.26Å; E72-T483 WeakPolarHBondContact OE1-CB 3.35Å; E72-T483 PolarHBondContact OE1-OG1 3.12Å; E72-T483 WeakPolarHBondContact OE2-CB 3.37Å; E72-T483 PolarHBondContact OE2-OG1 2.92Å | ||
| 484 | Y | 25 | Very low | 29.2 | Very low | 145 Ų | 145 | 99.7 Ų | 99.7 | 57% | 0.569 | 54% | 0.544 | S | S | * | . | trans | -145.9 | 155.1 | 173 | -75.2 | -79.1 | 0 | 0 | 0 | 111.4 | P3 | P3-Y484 HydrophobicContact CG-CD2 4.24Å; P3-Y484 HydrophobicContact CG-CE2 4.43Å | ||
| 485 | R | 29.1 | Very low | 29.9 | Very low | 164 Ų | 164 | 93.7 Ų | 93.7 | 62% | 0.619 | 51% | 0.513 | S | S | * | . | trans | -87.4 | 115.3 | -162.7 | -178.2 | -169.8 | -129.8 | 153.3 | 4.1 | 114.3 | T487 | R485-T487 HydrophobicContact CG-CG2 3.81Å; R485-T487 PolarHBondContact O-N 3.47Å | ||
| 486 | I | 35 | Very low | 30.3 | Very low | 18 Ų | 18 | 92.5 Ų | 92.5 | 9% | 0.092 | 50% | 0.496 | C | S | . | . | trans | -67.6 | 122.5 | 158.8 | -60.7 | 179.8 | 0 | 0 | 0 | 108.7 | W62 N73 I492 | W62-I486 HydrophobicContact CH2-CG2 4.02Å; W62-I486 HydrophobicContact CZ3-CG2 4.47Å; N73-I486 HydrophobicContact CB-CD1 4.05Å; N73-I486 VanDerWaalsContact O-CD1 3.22Å; N73-I486 WeakPolarHBondContact O-CD1 3.3Å; N73-I486 WeakPolarHBondContact O-CG1 3.47Å; I486-I492 HydrophobicContact CD1-CD1 4.44Å; I486-I492 HydrophobicContact CD1-CG1 4.26Å; I486-I492 HydrophobicContact CD1-CG2 3.85Å; I486-I492 HydrophobicContact CG1-CB 4.41Å; I486-I492 HydrophobicContact CG1-CG1 4.13Å; I486-I492 HydrophobicContact CG1-CG2 4.17Å; I486-I492 HydrophobicContact CG2-CD1 4.39Å; I486-I492 HydrophobicContact CG2-CG1 4.16Å | ||
| 487 | T | 33.5 | Very low | 30.6 | Very low | 50 Ų | 50 | 87.4 Ų | 87.4 | 31% | 0.307 | 47% | 0.468 | S | S | . | . | B | Isolated β-bridge | trans | -145.3 | 153.2 | 171.3 | 26.8 | 0 | 0 | 0 | 0 | 110.1 | R485 S489 K490 | R485-T487 HydrophobicContact CG-CG2 3.81Å; R485-T487 PolarHBondContact O-N 3.47Å; T487-S489 PolarHBondContact O-N 3.37Å; T487-K490 PolarHBondContact O-N 2.79Å |
| 488 | R | 33.8 | Very low | 30.8 | Very low | 178 Ų | 178 | 89 Ų | 89 | 67% | 0.672 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 7.8 | -170.5 | -144.5 | -175.5 | -163.5 | 177.8 | 8.4 | 116.8 | ||
| 489 | S | 29.2 | Very low | 31 | Very low | 107 Ų | 107 | 88.5 Ų | 88.5 | 75% | 0.748 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.4 | 0.7 | -178.4 | 63.2 | 0 | 0 | 0 | 0 | 114.6 | T487 | T487-S489 PolarHBondContact O-N 3.37Š|
| 490 | K | 30.4 | Very low | 31.1 | Very low | 166 Ų | 166 | 91.7 Ų | 91.7 | 72% | 0.722 | 45% | 0.452 | S | S | * | . | B | Isolated β-bridge | trans | -143.8 | 148.6 | 177.4 | -70.4 | -169.1 | 176.6 | -179.7 | 0 | 111.3 | T487 | T487-K490 PolarHBondContact O-N 2.79Å |
| 491 | G | 33.3 | Very low | 31.1 | Very low | 26 Ų | 26 | 99 Ų | 99 | 27% | 0.268 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 168.2 | -165 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 492 | I | 43.2 | Very low | 31 | Very low | 10 Ų | 10 | 98.6 Ų | 98.6 | 5% | 0.051 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 140.8 | -171.5 | -66.8 | -172.9 | 0 | 0 | 0 | 110.2 | F6 I8 L58 V75 I486 | F6-I492 CarbonylContact C-O 3.56Å; F6-I492 PolarHBondContact N-O 3.43Å; F6-I492 CarbonylContact O-C 3.51Å; F6-I492 PolarHBondContact O-N 3.02Å; I8-I492 HydrophobicContact CB-CD1 4.12Å; I8-I492 HydrophobicContact CD1-CB 4.46Å; I8-I492 HydrophobicContact CD1-CD1 4.09Å; I8-I492 HydrophobicContact CD1-CG2 4.44Å; I8-I492 HydrophobicContact CG1-CB 4.3Å; I8-I492 HydrophobicContact CG1-CD1 4.27Å; L58-I492 HydrophobicContact CD2-CD1 3.47Å; L58-I492 VanDerWaalsContact CD2-CD1 3.47Å; V75-I492 HydrophobicContact CB-CG2 4.24Å; V75-I492 HydrophobicContact CG2-CG2 3.68Å; I486-I492 HydrophobicContact CD1-CD1 4.44Å; I486-I492 HydrophobicContact CD1-CG1 4.26Å; I486-I492 HydrophobicContact CD1-CG2 3.85Å; I486-I492 HydrophobicContact CG1-CB 4.41Å; I486-I492 HydrophobicContact CG1-CG1 4.13Å; I486-I492 HydrophobicContact CG1-CG2 4.17Å; I486-I492 HydrophobicContact CG2-CD1 4.39Å; I486-I492 HydrophobicContact CG2-CG1 4.16Å |
| 493 | S | 38.5 | Very low | 31.1 | Very low | 9 Ų | 9 | 100.3 Ų | 100.3 | 6% | 0.063 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 125.6 | 172 | -82.4 | 0 | 0 | 0 | 0 | 110.8 | V75 | V75-S493 PolarHBondContact N-O 3.27Å; V75-S493 VanDerWaalsContact N-O 3.16Å |
| 494 | L | 36.3 | Very low | 31 | Very low | 1 Ų | 1 | 107 Ų | 107 | 1% | 0.005 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 137.7 | 166.5 | -60.3 | 168.4 | 0 | 0 | 0 | 108.8 | I4 F6 I21 L25 V75 | I4-L494 HydrophobicContact CG2-CB 4.5Å; I4-L494 HydrophobicContact CG2-CD1 4.22Å; I4-L494 PolarHBondContact N-O 3.31Å; I4-L494 WeakPolarHBondContact O-CA 3.37Å; I4-L494 WeakPolarHBondContact O-CB 3.5Å; I4-L494 PolarHBondContact O-N 3.23Å; I4-L494 VanDerWaalsContact O-O 3.1Å; F6-L494 HydrophobicContact CB-CD1 3.44Å; F6-L494 VanDerWaalsContact CB-CD1 3.44Å; F6-L494 HydrophobicContact CB-CG 3.8Å; F6-L494 HydrophobicContact CG-CD1 4.05Å; I21-L494 HydrophobicContact CB-CD1 4.35Å; I21-L494 HydrophobicContact CD1-CD2 4.45Å; I21-L494 HydrophobicContact CG1-CD1 4.27Å; I21-L494 HydrophobicContact CG1-CD2 4.44Å; I21-L494 HydrophobicContact CG2-CD1 3.81Å; I21-L494 HydrophobicContact CG2-CD2 3.82Å; I21-L494 HydrophobicContact CG2-CG 4.49Å; L25-L494 HydrophobicContact CD1-CB 4.41Å; L25-L494 HydrophobicContact CD1-CD1 4.15Å; L25-L494 HydrophobicContact CD2-CB 4.05Å; L25-L494 HydrophobicContact CD2-CD1 4.16Å; L25-L494 HydrophobicContact CG-CD1 4.13Å; V75-L494 HydrophobicContact CB-CD2 4.45Å; V75-L494 WeakPolarHBondContact O-CA 3.36Å |
| 495 | V | 37.3 | Very low | 31.1 | Very low | 42 Ų | 42 | 107.3 Ų | 107.3 | 26% | 0.255 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.1 | 166.6 | 176.2 | 0 | 0 | 0 | 0 | 107.5 | S74 V75 V76 | S74-V495 WeakPolarHBondContact OG-CG2 3.49Å; V75-V495 PolarHBondContact O-N 3.1Å; V76-V495 HydrophobicContact CG2-CB 4.45Å |
| 496 | Y | 30.7 | Very low | 31 | Very low | 101 Ų | 101 | 102 Ų | 102 | 40% | 0.396 | 51% | 0.511 | S | S | . | . | trans | -81.9 | 132 | 160.5 | -174.2 | -91.9 | 0 | 0 | 0 | 107.4 | P27 P28 | P27-Y496 HydrophobicContact CB-CE2 3.98Å; P28-Y496 WeakPolarHBondContact CD-OH 3.26Å | ||
| 497 | D | 33.9 | Very low | 30.6 | Very low | 59 Ų | 59 | 105.1 Ų | 105.1 | 32% | 0.316 | 54% | 0.54 | S | S | . | . | trans | -94.4 | 120.9 | -176.2 | -153.1 | -2.7 | 0 | 0 | 0 | 109.8 | V76 R78 | V76-D497 HydrophobicContact CG1-CB 4.26Å; R78-D497 IonicContact NH1-OD2 2.69Å | ||
| 498 | E | 30.4 | Very low | 30.3 | Very low | 136 Ų | 136 | 109.1 Ų | 109.1 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | trans | -114.6 | 50.7 | -176 | -160.6 | -179.5 | -173.6 | 0 | 0 | 109.7 | L500 | E498-L500 PolarHBondContact O-N 2.99Š| ||
| 499 | E | 29.3 | Very low | 29.8 | Very low | 149 Ų | 149 | 107.9 Ų | 107.9 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | trans | -65.6 | 88.3 | 175.5 | -78.1 | -162 | 124.9 | 0 | 0 | 111.8 | ||||
| 500 | L | 26.8 | Very low | 29.8 | Very low | 158 Ų | 158 | 109.3 Ų | 109.3 | 83% | 0.827 | 58% | 0.579 | S | S | * | * | 160.1 | 91.4 | 128.4 | -86.6 | 158 | 0 | 0 | 0 | 110.9 | E498 | E498-L500 PolarHBondContact O-N 2.99Š| |||
| 501 | R | 23.7 | Very low | 29.4 | Very low | 231 Ų | 231 | 106.4 Ų | 106.4 | 87% | 0.872 | 58% | 0.579 | S | S | * | * | trans | -143.5 | 50.9 | 170 | -148 | 179.8 | -168.3 | -169.1 | 3.9 | 115.7 | ||||
| 502 | T | 24.3 | Very low | 29.1 | Very low | 126 Ų | 126 | 113.4 Ų | 113.4 | 77% | 0.773 | 61% | 0.609 | S | S | * | * | trans | -143.7 | 143.5 | 164.8 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 503 | R | 24.2 | Very low | 28.1 | Very low | 192 Ų | 192 | 117.9 Ų | 117.9 | 73% | 0.725 | 64% | 0.641 | S | S | * | * | trans | 69.8 | 79 | 171.4 | -63.4 | -180 | 170.2 | 161.6 | -4 | 117.2 | ||||
| 504 | E | 24.3 | Very low | 27.5 | Very low | 179 Ų | 179 | 122.5 Ų | 122.5 | 84% | 0.836 | 67% | 0.673 | S | S | * | * | -151.2 | 106.4 | 120.5 | -124.4 | 175.1 | -135.9 | 0 | 0 | 110.3 | |||||
| 505 | T | 25.3 | Very low | 27 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 93% | 0.933 | 71% | 0.71 | S | S | * | * | trans | -173.4 | 114.7 | 168.4 | 2.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 506 | G | 27 | Very low | 26.5 | Very low | 53 Ų | 53 | 133.4 Ų | 133.4 | 55% | 0.546 | 73% | 0.734 | S | S | . | * | trans | 143.3 | 116.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1369 | G506-N1369 PolarHBondContact O-ND2 3.27Å; G506-N1369 VanDerWaalsContact O-ND2 3.15Å | ||
| 507 | A | 27.4 | Very low | 26.5 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 69% | 0.686 | 75% | 0.749 | S | S | * | * | cis | -157.2 | 156.6 | -9.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 508 | C | 28 | Very low | 26 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 90% | 0.899 | 77% | 0.77 | S | S | * | * | trans | -125.3 | 113.1 | 159.5 | -64 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 509 | D | 22.8 | Very low | 25.8 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -66.3 | 147.3 | -176.1 | -64.2 | -72.7 | 0 | 0 | 0 | 113.1 | ||||
| 510 | T | 28.3 | Very low | 25.6 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | -157.5 | 141.7 | 118.4 | -72.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 511 | S | 22.1 | Very low | 25.7 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -66.7 | 154.7 | -174.7 | 52.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 512 | I | 27.3 | Very low | 25.8 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | -158.6 | 148.6 | 121.9 | -100 | 152.7 | 0 | 0 | 0 | 109.3 | |||||
| 513 | S | 21.8 | Very low | 26.1 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -110.2 | 148.4 | -179.1 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 514 | S | 25.6 | Very low | 26.1 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 173.9 | 137.8 | 121 | 44.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 515 | T | 26.5 | Very low | 26.3 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | 68.2 | 122.8 | 140.2 | -53.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 516 | I | 27.6 | Very low | 26.3 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -110.2 | 143.8 | 158.6 | -59.2 | 165 | 0 | 0 | 0 | 108.3 | ||||
| 517 | P | 29.4 | Very low | 26.9 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -131.1 | 131.1 | 132.9 | 29.6 | -14.9 | 0 | 0 | 0 | 111.2 | ||||
| 518 | Y | 23.6 | Very low | 26.7 | Very low | 197 Ų | 197 | 138.6 Ų | 138.6 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | 71.7 | 104.7 | 65.8 | -87.9 | -71.2 | 0 | 0 | 0 | 115.4 | |||||
| 519 | E | 27.3 | Very low | 26.6 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -179.7 | 119.5 | 132.4 | -96.8 | 167.3 | -169.7 | 0 | 0 | 106.7 | ||||
| 520 | N | 25.1 | Very low | 26.6 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | 79.5 | 98.1 | 62.5 | -80.8 | -1.7 | 0 | 0 | 0 | 115.2 | |||||
| 521 | D | 28.3 | Very low | 26.5 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | -177.4 | 131 | 117.2 | -94.3 | -18.3 | 0 | 0 | 0 | 108.4 | |||||
| 522 | N | 25.5 | Very low | 26.7 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | cis | 104.1 | 96.6 | 41.8 | -89.7 | -43.6 | 0 | 0 | 0 | 112.7 | ||||
| 523 | T | 31.3 | Very low | 26.7 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 150.9 | 121.8 | 147.2 | 40.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 524 | C | 24.3 | Very low | 26.9 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | 66.3 | 127.7 | 67.2 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 525 | E | 27.9 | Very low | 27.2 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | cis | -136 | 166.5 | 16.4 | -66 | -172.2 | 127.3 | 0 | 0 | 115.3 | ||||
| 526 | D | 24.5 | Very low | 27.3 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -99.3 | -171.3 | 167.8 | -147.3 | 7.7 | 0 | 0 | 0 | 107.2 | ||||
| 527 | P | 39.8 | Very low | 27.1 | Very low | 83 Ų | 83 | 143.1 Ų | 143.1 | 54% | 0.539 | 75% | 0.745 | S | S | . | * | cis | -139.9 | 177.3 | -28.1 | 41.5 | -25 | 0 | 0 | 0 | 116.3 | ||||
| 528 | K | 24.5 | Very low | 27.2 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 73% | 0.726 | 75% | 0.754 | S | S | * | * | trans | 65.2 | 125.9 | 138.1 | -74.6 | 153.3 | -161.5 | 136.3 | 0 | 124 | ||||
| 529 | K | 24.5 | Very low | 27.4 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | 104.7 | 132 | 121.2 | -93.6 | 171.6 | 155.8 | -93.8 | 0 | 122.9 | |||||
| 530 | E | 23.9 | Very low | 27.4 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 66% | 0.659 | 75% | 0.748 | S | S | * | * | trans | 67.9 | 105.3 | 145.1 | -79.6 | 149.4 | 159.3 | 0 | 0 | 123.5 | ||||
| 531 | V | 26.1 | Very low | 27.7 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 48.4 | 116.3 | 120.3 | -177.7 | 0 | 0 | 0 | 0 | 119 | |||||
| 532 | D | 25.8 | Very low | 27.6 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | -165.6 | -174.8 | 93.2 | -143.4 | -23.3 | 0 | 0 | 0 | 113.1 | |||||
| 533 | L | 26.8 | Very low | 27.7 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -101.5 | 175 | -164.5 | -73.5 | 153.1 | 0 | 0 | 0 | 116 | ||||
| 534 | T | 26 | Very low | 27.5 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | 105.7 | 118.2 | 148 | 71.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 535 | H | 31.8 | Very low | 27.5 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | trans | -157.8 | 106 | 135.2 | -128.5 | -100.3 | 0 | 0 | 0 | 105.8 | ||||
| 536 | L | 29.5 | Very low | 27.4 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | 56.8 | 112.6 | 99.2 | -65.9 | 167.9 | 0 | 0 | 0 | 112.4 | |||||
| 537 | D | 24 | Very low | 27.3 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | cis | 112.1 | 122.1 | 41.1 | -99.8 | -1.3 | 0 | 0 | 0 | 109.4 | ||||
| 538 | V | 30.2 | Very low | 26.6 | Very low | 147 Ų | 147 | 141 Ų | 141 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | -156.2 | 145.9 | 142.8 | 172.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 539 | T | 29.3 | Very low | 26.7 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | -106.5 | 163.1 | -168.6 | 54.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 540 | D | 26.6 | Very low | 26.5 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -8.5 | 144.2 | 162.6 | -57.5 | -33.6 | 0 | 0 | 0 | 121.3 | ||||
| 541 | T | 32 | Very low | 26.6 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | -163.5 | 158.4 | 124.7 | 7.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 542 | N | 24.7 | Very low | 26.6 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -81.5 | 150.6 | -174.8 | -59.5 | -72.8 | 0 | 0 | 0 | 114.1 | ||||
| 543 | S | 28.8 | Very low | 26.6 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 174.4 | 148.2 | 113.6 | -75.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 544 | T | 25.7 | Very low | 26.4 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -31.2 | 157.3 | 161.9 | 61.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 545 | N | 25.2 | Very low | 26.4 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | cis | -176.4 | 173.7 | 38.4 | -145.9 | -22.8 | 0 | 0 | 0 | 112 | ||||
| 546 | L | 25.6 | Very low | 26.2 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | 64.2 | 160 | 168.2 | -85.1 | 84.3 | 0 | 0 | 0 | 117.8 | ||||
| 547 | F | 22.9 | Very low | 25.9 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | cis | -168.6 | 157 | -36.1 | -144.5 | -104.3 | 0 | 0 | 0 | 108.6 | ||||
| 548 | T | 24.1 | Very low | 26 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | 54.1 | 118.6 | 165.8 | 26.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 549 | L | 26.9 | Very low | 26 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -142 | 85 | 138.3 | -107.2 | 178.4 | 0 | 0 | 0 | 109.9 | ||||
| 550 | E | 21.4 | Very low | 25.9 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -101.7 | 164.4 | 148.1 | -84.4 | -167.2 | 138.5 | 0 | 0 | 108.1 | ||||
| 551 | Y | 25.7 | Very low | 25.9 | Very low | 204 Ų | 204 | 148.5 Ų | 148.5 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | 74.1 | 154.4 | 176.7 | -89.4 | -95.8 | 0 | 0 | 0 | 118.5 | ||||
| 552 | M | 24.8 | Very low | 25.7 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 69.7 | 115.8 | -173.2 | -48.5 | -56.8 | -78.4 | 0 | 0 | 113.6 | ||||
| 553 | H | 26.9 | Very low | 25.8 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | cis | -124.6 | 137.9 | 12.2 | -104.4 | -103.2 | 0 | 0 | 0 | 113.7 | ||||
| 554 | S | 22.3 | Very low | 25.7 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -123.2 | 104 | 147.2 | 176.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 555 | T | 26.6 | Very low | 25.7 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 58% | 0.577 | 71% | 0.713 | S | S | * | * | trans | -168.8 | 108.2 | 165.3 | -60.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 556 | F | 27 | Very low | 25.7 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 87% | 0.873 | 71% | 0.71 | S | S | * | * | -176.6 | 119.6 | 117.1 | -107.7 | -69.7 | 0 | 0 | 0 | 109.6 | |||||
| 557 | D | 22.5 | Very low | 26.2 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | trans | -147.6 | 132.5 | 167.7 | -131 | -22.6 | 0 | 0 | 0 | 107.1 | ||||
| 558 | I | 26.1 | Very low | 26.4 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | 54.4 | 101.2 | 164.7 | -46.6 | 173.5 | 0 | 0 | 0 | 118.1 | ||||
| 559 | I | 29.9 | Very low | 26.4 | Very low | 153 Ų | 153 | 139 Ų | 139 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | -138 | 121.2 | 128.9 | -68.7 | -169.8 | 0 | 0 | 0 | 107.7 | |||||
| 560 | E | 28.6 | Very low | 26.2 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | trans | 37.7 | 124.6 | 150.2 | -67.3 | 159.7 | 176.9 | 0 | 0 | 119.9 | ||||
| 561 | Q | 27.3 | Very low | 26.3 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | 60 | 138.5 | 75.6 | -65.6 | -169.6 | -82.7 | 0 | 0 | 114.2 | |||||
| 562 | D | 26.1 | Very low | 26.2 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | cis | -157.5 | 173.1 | -13.6 | -85.1 | -35.5 | 0 | 0 | 0 | 105.8 | ||||
| 563 | E | 27.6 | Very low | 26.3 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 52% | 0.523 | 71% | 0.705 | S | S | . | * | cis | -140.1 | -150 | 15.6 | -157.5 | -113.2 | 101.5 | 0 | 0 | 109.6 | ||||
| 564 | N | 27 | Very low | 26.1 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 53% | 0.529 | 70% | 0.701 | S | S | . | * | trans | -104.2 | -177.8 | -173.1 | -52.3 | -87.4 | 0 | 0 | 0 | 114.3 | T449 | T449-N564 HydrophobicContact CG2-CB 4.47Š| ||
| 565 | L | 24.7 | Very low | 26.2 | Very low | 50 Ų | 50 | 128.3 Ų | 128.3 | 26% | 0.262 | 70% | 0.696 | S | S | . | * | -176.3 | 151.9 | 106.9 | -94.2 | 155.1 | 0 | 0 | 0 | 115.9 | T449 H450 K451 | T449-L565 VanDerWaalsContact OG1-CD2 3.31Å; T449-L565 WeakPolarHBondContact OG1-CD2 3.31Å; H450-L565 HydrophobicContact CB-CD1 4.42Å; H450-L565 HydrophobicContact CB-CD2 4.28Å; H450-L565 WeakPolarHBondContact ND1-CD2 3.35Å; K451-L565 VanDerWaalsContact N-CD1 3.31Å | |||
| 566 | T | 26.5 | Very low | 26.3 | Very low | 107 Ų | 107 | 133 Ų | 133 | 66% | 0.656 | 71% | 0.711 | S | S | * | * | trans | -135 | -157.2 | -172.6 | 63 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 567 | P | 36.1 | Very low | 26 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 66% | 0.662 | 70% | 0.703 | S | S | * | * | trans | -115.1 | -178.7 | -131.6 | 29.5 | -4.9 | 0 | 0 | 0 | 114.5 | ||||
| 568 | T | 25.9 | Very low | 26.1 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | 172.2 | 169.3 | 89.5 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 569 | E | 24.5 | Very low | 26.1 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | trans | 110.4 | 143.8 | 170.5 | -67.1 | -166.1 | 179.3 | 0 | 0 | 115.8 | ||||
| 570 | L | 23.8 | Very low | 25.7 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | cis | -159.4 | 170.1 | -23.4 | -118.4 | 172.2 | 0 | 0 | 0 | 110.6 | ||||
| 571 | N | 22.6 | Very low | 25.4 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | trans | -53.1 | 155 | -173 | -60.5 | -35.2 | 0 | 0 | 0 | 118.5 | ||||
| 572 | S | 24.5 | Very low | 25.1 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | -175.2 | 144.4 | 121.5 | 39.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 573 | C | 26.8 | Very low | 25.1 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | trans | 64 | 149.9 | 159.3 | -67.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 574 | S | 22.8 | Very low | 24.8 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | cis | -168.9 | 158.4 | -28.8 | -123.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 575 | D | 24.3 | Very low | 24.7 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | 56.4 | 112.6 | 153.8 | -47.4 | -23.5 | 0 | 0 | 0 | 121.1 | ||||
| 576 | H | 27.7 | Very low | 24.6 | Very low | 193 Ų | 193 | 141 Ų | 141 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | -160.1 | 156.7 | 98.2 | -101.1 | 66.6 | 0 | 0 | 0 | 111.3 | |||||
| 577 | Q | 21.5 | Very low | 24.5 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | trans | -125.5 | 173.2 | -172.9 | -90 | -170.6 | -23.1 | 0 | 0 | 113.3 | ||||
| 578 | Y | 24.9 | Very low | 24 | Very low | 210 Ų | 210 | 144.1 Ų | 144.1 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | 80.7 | 136.8 | 169.8 | -55.3 | -74.4 | 0 | 0 | 0 | 116.5 | ||||
| 579 | S | 24.4 | Very low | 24 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | cis | -149.2 | 146 | -6.4 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 580 | L | 21.7 | Very low | 24.1 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -73.4 | 148 | 157.5 | -105.6 | 79.9 | 0 | 0 | 0 | 110.4 | ||||
| 581 | K | 22 | Very low | 24.2 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | -173.6 | 142.7 | 128.6 | -107.9 | 174.6 | -177.4 | -177.8 | 0 | 111.7 | |||||
| 582 | D | 22.6 | Very low | 24.3 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | 55.7 | 124.5 | 160.5 | -42.6 | -33.2 | 0 | 0 | 0 | 115.9 | ||||
| 583 | V | 24.8 | Very low | 24.5 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | cis | -139.8 | 154.7 | 46.9 | 166.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 584 | V | 22.8 | Very low | 24.4 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | trans | -102.3 | 123.8 | 176.6 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | F586 | V584-F586 HydrophobicContact CG1-CE2 4.44Š| ||
| 585 | H | 23.6 | Very low | 24.5 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -149 | 154.6 | 150 | -135.4 | -103.4 | 0 | 0 | 0 | 112.3 | ||||
| 586 | F | 23.2 | Very low | 24.6 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | trans | -87.7 | 128.4 | -157.9 | -75.1 | -102.8 | 0 | 0 | 0 | 115 | V584 | V584-F586 HydrophobicContact CG1-CE2 4.44Š| ||
| 587 | T | 24.9 | Very low | 24.7 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -117.8 | 136.2 | 149.6 | 47.6 | 0 | 0 | 0 | 0 | 109 | N589 | T587-N589 PolarHBondContact O-N 3.08Š| ||
| 588 | F | 25.3 | Very low | 25.1 | Very low | 144 Ų | 144 | 152.7 Ų | 152.7 | 63% | 0.632 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -85.2 | 95.3 | -172.5 | -126.6 | -93.4 | 0 | 0 | 0 | 111.7 | K91 | K91-F588 HydrophobicContact CD-CE1 4.46Å; K91-F588 HydrophobicContact CD-CZ 4.21Å |
| 589 | N | 24.6 | Very low | 25.2 | Very low | 136 Ų | 136 | 151 Ų | 151 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -166.5 | 107.5 | 163 | -96.6 | -26.1 | 0 | 0 | 0 | 108.8 | T587 | T587-N589 PolarHBondContact O-N 3.08Š| ||
| 590 | E | 27.6 | Very low | 25.6 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -145.8 | 116.8 | 160.8 | -157 | 163.9 | -129.1 | 0 | 0 | 109.7 | I592 | E590-I592 PolarHBondContact O-N 3.48Š| ||
| 591 | E | 26 | Very low | 25.9 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 64% | 0.64 | 77% | 0.766 | S | S | * | * | trans | -86.2 | 93.1 | -174.1 | -174.6 | 168.1 | -141.2 | 0 | 0 | 108.8 | R30 T593 | R30-E591 IonicContact CZ-OE1 3.26Å; R30-E591 IonicContact NE-OE1 3.55Å; R30-E591 IonicContact NH2-OE1 2.68Å; R30-E591 PolarHBondContact NH2-OE1 3.18Å; E591-T593 PolarHBondContact O-N 3.21Å | ||
| 592 | I | 25.4 | Very low | 26.3 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -70 | 82 | 179.5 | -54.1 | -179.1 | 0 | 0 | 0 | 109.9 | E590 | E590-I592 PolarHBondContact O-N 3.48Š| ||
| 593 | T | 27.1 | Very low | 26.7 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | trans | -85.1 | 126.6 | 160.9 | -38.1 | 0 | 0 | 0 | 0 | 107.6 | E591 E595 | E591-T593 PolarHBondContact O-N 3.21Å; T593-E595 PolarHBondContact O-N 3.09Å | ||
| 594 | L | 24.4 | Very low | 27.2 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | -68 | 128.9 | -178.7 | -67.9 | 161.4 | 0 | 0 | 0 | 110.6 | ||||
| 595 | E | 26.6 | Very low | 27.5 | Very low | 199 Ų | 199 | 149.6 Ų | 149.6 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -126.4 | 132.1 | 150.5 | -157.1 | 129.8 | -113.7 | 0 | 0 | 108.7 | T593 | T593-E595 PolarHBondContact O-N 3.09Š| ||
| 596 | S | 26.3 | Very low | 27.9 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -123 | 128.3 | -170.3 | -62.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 597 | D | 30.1 | Very low | 28.3 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | -134 | 151.8 | 161.5 | -135.2 | -15.8 | 0 | 0 | 0 | 116.2 | ||||
| 598 | R | 29.7 | Very low | 28.6 | Very low | 225 Ų | 225 | 145.1 Ų | 145.1 | 85% | 0.849 | 76% | 0.761 | S | S | * | * | trans | -91.4 | 168 | -173.3 | -73.6 | 162.1 | 174.1 | 170.8 | -0.4 | 108.2 | ||||
| 599 | K | 27 | Very low | 28.9 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | cis | 174.8 | 128.2 | -14.4 | 164.3 | -169.2 | 176.4 | -171.6 | 0 | 105.6 | ||||
| 600 | S | 31.5 | Very low | 29.3 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -148.2 | 121.6 | 162.8 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 601 | T | 28.3 | Very low | 29.3 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | trans | -104 | 155.7 | 176.9 | 44.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 602 | L | 31.4 | Very low | 29.5 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 171.5 | 142.8 | 146.7 | -109.1 | 105.6 | 0 | 0 | 0 | 106.5 | ||||
| 603 | D | 30 | Very low | 29.8 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | cis | -159.1 | 162.4 | -22.6 | -104.9 | -7.8 | 0 | 0 | 0 | 106.4 | ||||
| 604 | T | 35.4 | Very low | 29.9 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | 178.7 | 121.3 | 93.9 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 605 | E | 30.2 | Very low | 30 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | 35.3 | 151.2 | 136.5 | -56.9 | -155 | 134.7 | 0 | 0 | 123.1 | ||||
| 606 | N | 31.3 | Very low | 30.1 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | cis | -161.9 | 156.8 | -2.8 | -123.4 | -35.3 | 0 | 0 | 0 | 113.9 | ||||
| 607 | G | 31 | Very low | 30.3 | Very low | 63 Ų | 63 | 127.5 Ų | 127.5 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | 82.7 | 147.6 | 154 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 608 | M | 31.9 | Very low | 30.3 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 83% | 0.828 | 69% | 0.69 | S | S | * | * | cis | -154.1 | 154 | -7.1 | -77.4 | -165.3 | 173.9 | 0 | 0 | 111.7 | ||||
| 609 | N | 32.3 | Very low | 30.2 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | trans | 68.2 | 113 | 156.6 | -63.6 | -27.9 | 0 | 0 | 0 | 118.5 | ||||
| 610 | Q | 31.3 | Very low | 30.4 | Very low | 173 Ų | 173 | 119.4 Ų | 119.4 | 81% | 0.808 | 68% | 0.684 | S | S | * | * | 76.4 | 143.8 | 83.3 | -74.8 | -177.3 | 70.8 | 0 | 0 | 114.9 | |||||
| 611 | S | 29.1 | Very low | 30.5 | Very low | 96 Ų | 96 | 121.2 Ų | 121.2 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | cis | -174 | 153.9 | -22.7 | -161.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 612 | V | 30.1 | Very low | 30.6 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 90% | 0.903 | 68% | 0.681 | S | S | * | * | trans | 64.3 | 154.2 | 166 | -157 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 613 | G | 29.9 | Very low | 30.5 | Very low | 68 Ų | 68 | 122.1 Ų | 122.1 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | 130.5 | 66.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | E615 | G613-E615 PolarHBondContact O-N 2.99Š| ||
| 614 | N | 29.3 | Very low | 30.4 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 67% | 0.674 | 69% | 0.689 | S | S | * | * | trans | -34.2 | 117.9 | 164.9 | -91.4 | -20.5 | 0 | 0 | 0 | 115.4 | R421 | R421-N614 PolarHBondContact NH1-OD1 3.06Š| ||
| 615 | E | 27.4 | Very low | 30.1 | Very low | 79 Ų | 79 | 120.8 Ų | 120.8 | 37% | 0.369 | 69% | 0.687 | S | S | . | * | 155.7 | -139.7 | 81.3 | -105.1 | 179.1 | -175.4 | 0 | 0 | 116.3 | K420 R421 G613 | K420-E615 VanDerWaalsContact CB-OE2 3.31Å; K420-E615 WeakPolarHBondContact CB-OE2 3.36Å; K420-E615 HydrophobicContact CD-CB 3.42Å; K420-E615 VanDerWaalsContact CD-CB 3.42Å; K420-E615 HydrophobicContact CD-CG 4.45Å; K420-E615 WeakPolarHBondContact CD-OE2 3.19Å; K420-E615 VanDerWaalsContact CE-CB 3.43Å; K420-E615 HydrophobicContact CG-CB 3.81Å; K420-E615 WeakPolarHBondContact CG-OE2 3.34Å; R421-E615 WeakPolarHBondContact CD-OE1 3.45Å; R421-E615 IonicContact CZ-OE1 3.34Å; R421-E615 IonicContact NE-OE1 3.65Å; R421-E615 VanDerWaalsContact NH1-CD 3.34Å; R421-E615 IonicContact NH1-OE1 2.63Å; R421-E615 PolarHBondContact NH1-OE1 2.98Å; G613-E615 PolarHBondContact O-N 2.99Å | |||
| 616 | I | 29.3 | Very low | 30 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 43% | 0.426 | 69% | 0.691 | S | S | . | * | trans | -165.1 | -169.1 | -153.5 | 23.3 | 61.2 | 0 | 0 | 0 | 112.9 | K420 R421 | K420-I616 WeakPolarHBondContact CE-O 3.43Å; K420-I616 HydrophobicContact CG-CD1 4.24Å; K420-I616 WeakPolarHBondContact CG-O 3.5Å; R421-I616 HydrophobicContact CB-CD1 3.43Å; R421-I616 VanDerWaalsContact CB-CD1 3.43Å; R421-I616 HydrophobicContact CG-CD1 3.43Å; R421-I616 VanDerWaalsContact CG-CD1 3.43Å; R421-I616 HydrophobicContact CG-CG1 4.32Å | ||
| 617 | L | 29.1 | Very low | 29.9 | Very low | 59 Ų | 59 | 117.2 Ų | 117.2 | 31% | 0.309 | 69% | 0.688 | S | S | . | * | trans | 90.4 | 82.9 | 167.7 | -146.4 | 135.9 | 0 | 0 | 0 | 119.9 | R421 K422 | R421-L617 VanDerWaalsContact N-CD1 3.32Å; K422-L617 VanDerWaalsContact N-CD1 3.26Å | ||
| 618 | Q | 30.3 | Very low | 29.8 | Very low | 138 Ų | 138 | 122.4 Ų | 122.4 | 65% | 0.645 | 70% | 0.695 | S | S | * | * | 58.2 | 114.7 | 121.8 | -64.9 | 175.8 | -30.1 | 0 | 0 | 121.6 | |||||
| 619 | N | 28.3 | Very low | 29.5 | Very low | 161 Ų | 161 | 120.3 Ų | 120.3 | 86% | 0.861 | 69% | 0.691 | S | S | * | * | -166.7 | 172.3 | 109.1 | -104.3 | -43.6 | 0 | 0 | 0 | 113.8 | |||||
| 620 | S | 30.9 | Very low | 29.3 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | trans | -73 | 163.5 | -160.5 | -44.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 621 | Q | 33.7 | Very low | 29.1 | Very low | 161 Ų | 161 | 121.7 Ų | 121.7 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | trans | 38.6 | 146.1 | 131.3 | -67.6 | -172.4 | -93.3 | 0 | 0 | 121.1 | ||||
| 622 | D | 29.5 | Very low | 29.2 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | cis | -156.1 | 162.6 | 2.4 | -91.9 | -27.9 | 0 | 0 | 0 | 108.1 | ||||
| 623 | V | 30.5 | Very low | 29.1 | Very low | 152 Ų | 152 | 120.7 Ų | 120.7 | 92% | 0.921 | 68% | 0.679 | S | S | * | * | trans | 178.6 | 163.5 | 145.5 | 141 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 624 | S | 27.7 | Very low | 29.1 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | trans | -140.5 | 179.9 | -165.7 | -172.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 625 | V | 29.4 | Very low | 29.1 | Very low | 115 Ų | 115 | 128 Ų | 128 | 70% | 0.697 | 69% | 0.694 | S | S | * | * | trans | 95.5 | 130.6 | 161.9 | -167.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 626 | N | 28.3 | Very low | 29.2 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | trans | 70.2 | 140.3 | 176.1 | -58.7 | -32.2 | 0 | 0 | 0 | 117.4 | ||||
| 627 | G | 28.7 | Very low | 29.2 | Very low | 64 Ų | 64 | 138.3 Ų | 138.3 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | cis | 165.6 | 156.3 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 628 | H | 28.9 | Very low | 29.2 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | trans | 63.7 | 134.9 | -173.9 | -72.7 | 68.6 | 0 | 0 | 0 | 114.8 | ||||
| 629 | V | 25.1 | Very low | 29.2 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | cis | 74.2 | 102.9 | 14 | -161.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 630 | E | 28.1 | Very low | 29.3 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | 173.6 | 123 | 131 | -95.9 | 173.2 | -172.8 | 0 | 0 | 108.3 | ||||
| 631 | E | 26.9 | Very low | 29.1 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | 81.8 | 152.9 | 96.1 | -116.6 | -172.8 | -148.8 | 0 | 0 | 112.3 | |||||
| 632 | V | 31.7 | Very low | 28.9 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | cis | -140.4 | 158.3 | 18.7 | -169.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 633 | N | 27.8 | Very low | 28.6 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | trans | -36.8 | 168.1 | 172.1 | -49.9 | -76.5 | 0 | 0 | 0 | 119.2 | ||||
| 634 | N | 29.7 | Very low | 28.6 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 92% | 0.92 | 76% | 0.763 | S | S | * | * | -140.8 | 152.5 | 111.3 | -107 | -28 | 0 | 0 | 0 | 112.6 | |||||
| 635 | K | 29.1 | Very low | 28.6 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | -158.6 | 139.1 | -165.4 | -137.5 | -176 | -171.8 | -178.9 | 0 | 111 | ||||
| 636 | E | 30.2 | Very low | 28.6 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | -143.6 | 164.5 | 167.9 | -72.3 | -168.1 | 125.2 | 0 | 0 | 111.2 | ||||
| 637 | F | 29.8 | Very low | 28.6 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | -160.5 | 166.7 | -63.1 | -139.5 | -90.4 | 0 | 0 | 0 | 110.2 | |||||
| 638 | I | 29.4 | Very low | 28.8 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 84.3 | 135 | 165.6 | -53.1 | 178 | 0 | 0 | 0 | 119.6 | ||||
| 639 | S | 29.2 | Very low | 28.9 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 65.2 | 113.2 | 169.2 | -74.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 640 | E | 29.9 | Very low | 29.3 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | cis | 64.2 | 149.1 | 5 | -63.1 | -154.5 | 147.3 | 0 | 0 | 116.7 | ||||
| 641 | K | 27.3 | Very low | 29.7 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 67% | 0.665 | 76% | 0.757 | S | S | * | * | cis | -159.6 | 163.3 | -0.4 | -130.3 | 171 | -172 | 135.9 | 0 | 111.5 | ||||
| 642 | S | 29.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | -164.4 | 126.4 | 142.9 | -168 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 643 | E | 24.5 | Very low | 29.9 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -164 | 133.5 | -178.8 | 178.7 | 178.8 | -132.3 | 0 | 0 | 109.1 | ||||
| 644 | M | 30.3 | Very low | 30.1 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -177.4 | 118.1 | 164.6 | -104.8 | 169.9 | -174.5 | 0 | 0 | 109.2 | ||||
| 645 | T | 27.3 | Very low | 30 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | 62.8 | 140.3 | 97.2 | 64.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 646 | E | 28.6 | Very low | 30 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | cis | -161.8 | 164 | 12.7 | -135.9 | 171 | -174.6 | 0 | 0 | 112.1 | ||||
| 647 | S | 28.5 | Very low | 30 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 35.6 | 152.9 | 156 | 66.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 648 | M | 33.2 | Very low | 29.9 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | cis | -164.1 | 179.8 | 24.5 | -146 | 157 | 64.7 | 0 | 0 | 112.8 | ||||
| 649 | D | 32.1 | Very low | 30.2 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 75.3 | 79 | 157.9 | -60.3 | -24.8 | 0 | 0 | 0 | 124.2 | ||||
| 650 | D | 31.5 | Very low | 30.3 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | 68.1 | 158.2 | 111.1 | -148.6 | 11.2 | 0 | 0 | 0 | 125.2 | |||||
| 651 | V | 36.5 | Very low | 30.3 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | 91.2 | 99.1 | 160 | -165.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 652 | K | 32.5 | Very low | 30.6 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | trans | 42.3 | 138.5 | 141.9 | -58.9 | 171.2 | -176 | 165.5 | 0 | 121.4 | ||||
| 653 | G | 31.8 | Very low | 30.9 | Very low | 74 Ų | 74 | 136.3 Ų | 136.3 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | cis | 151.5 | 166.2 | -8.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 654 | K | 31.8 | Very low | 31.1 | Very low | 192 Ų | 192 | 133 Ų | 133 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | 69.6 | 104.6 | 162.8 | -142.7 | 74.5 | 170.6 | 179.7 | 0 | 119.1 | ||||
| 655 | S | 26.9 | Very low | 31.1 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -121.5 | 165.5 | 145 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 656 | I | 29.6 | Very low | 31.3 | Very low | 124 Ų | 124 | 129 Ų | 129 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -133.9 | 117.5 | -175.6 | -66.5 | 179.8 | 0 | 0 | 0 | 110.3 | ||||
| 657 | V | 29.2 | Very low | 31.3 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 25.2 | 127.5 | 130.2 | -158.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 658 | V | 27.7 | Very low | 31.4 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | cis | -155.4 | -174.9 | 35.4 | -128.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 659 | P | 36.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -128.3 | -173.2 | -24.2 | 40.3 | -24.9 | 0 | 0 | 0 | 112.3 | ||||
| 660 | D | 29.9 | Very low | 31.5 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | -156.9 | 167.2 | 116.4 | -130.8 | -29.1 | 0 | 0 | 0 | 112.5 | |||||
| 661 | S | 31.7 | Very low | 31.5 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -133.2 | 137.8 | -164.6 | -175.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 662 | P | 33.6 | Very low | 31.1 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -103.8 | 131.2 | 176.1 | 36.1 | -29.7 | 0 | 0 | 0 | 115.2 | ||||
| 663 | V | 34 | Very low | 30.9 | Very low | 147 Ų | 147 | 132 Ų | 132 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | 58.4 | 132.5 | 141.9 | -172 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 664 | A | 29.9 | Very low | 30.6 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -98.6 | 154.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 665 | G | 29.4 | Very low | 30.6 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -153.1 | 117.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 666 | S | 32.4 | Very low | 30.7 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | 39 | 129 | 164.3 | -155.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 667 | L | 27.8 | Very low | 30.6 | Very low | 163 Ų | 163 | 137 Ų | 137 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -143.3 | 98.4 | 176.2 | -160.6 | 176.5 | 0 | 0 | 0 | 111.7 | ||||
| 668 | K | 32 | Very low | 30.6 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | -160.6 | 136.6 | 146.1 | -117.2 | -171.7 | 178.2 | -179.7 | 0 | 114.6 | ||||
| 669 | N | 36 | Very low | 30.7 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 65% | 0.647 | 79% | 0.791 | S | S | * | * | trans | 56.1 | 88.8 | 153.2 | -62.7 | 8 | 0 | 0 | 0 | 119.1 | I671 | N669-I671 HydrophobicContact CB-CG1 4.36Š| ||
| 670 | K | 30.2 | Very low | 30.4 | Very low | 220 Ų | 220 | 139.9 Ų | 139.9 | 96% | 0.957 | 79% | 0.793 | S | S | * | * | trans | -73.2 | 134 | 133.2 | -158.2 | 171.1 | -171.1 | 175.3 | 0 | 107.6 | ||||
| 671 | I | 32.6 | Very low | 30.5 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 67% | 0.672 | 79% | 0.792 | S | S | * | * | trans | -93.1 | 138.2 | -161.7 | -77.7 | 174 | 0 | 0 | 0 | 113 | N669 | N669-I671 HydrophobicContact CB-CG1 4.36Š| ||
| 672 | E | 27.5 | Very low | 30.4 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 32.8 | 120.8 | 146.2 | -161.3 | 161.8 | -133.6 | 0 | 0 | 121.2 | ||||
| 673 | A | 28.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 144 Ų | 144 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -149.5 | 77.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 674 | L | 25.6 | Very low | 30.3 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -108.3 | 92.8 | 174.8 | -92.4 | 174.5 | 0 | 0 | 0 | 111.8 | ||||
| 675 | S | 30.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -153.4 | 121.7 | 155.9 | 77.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 676 | R | 30 | Very low | 30.5 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | 53.3 | 112 | 142.3 | -61.9 | 176.5 | 177.9 | 142.5 | 1.5 | 119.3 | ||||
| 677 | A | 27.9 | Very low | 30.6 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -78.5 | 164.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 678 | S | 28.4 | Very low | 30.8 | Very low | 91 Ų | 91 | 145.5 Ų | 145.5 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | 170.9 | 131.6 | 132.7 | -172.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 679 | Q | 29.8 | Very low | 30.7 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | trans | 62.9 | 157.2 | 147.6 | -76.1 | 171.9 | 22.6 | 0 | 0 | 119.9 | ||||
| 680 | K | 30.7 | Very low | 30.8 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 74% | 0.735 | 78% | 0.782 | S | S | * | * | cis | -128.9 | -177.7 | -8.8 | -87.4 | 121.2 | 175 | 171.1 | 0 | 106.8 | ||||
| 681 | Q | 32.8 | Very low | 31.3 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | cis | -145 | 141.7 | 23 | -68 | 170.2 | -8.5 | 0 | 0 | 107 | ||||
| 682 | S | 28.5 | Very low | 31.1 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | 86.5 | 97.7 | 37.8 | 76.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 683 | E | 32.1 | Very low | 31.1 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -157.4 | 144.9 | 149.5 | -122.9 | 179.4 | -129.2 | 0 | 0 | 114.5 | ||||
| 684 | N | 33.1 | Very low | 31 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 61.2 | 119.1 | 156.4 | -66.5 | -33.3 | 0 | 0 | 0 | 126 | ||||
| 685 | S | 31.7 | Very low | 31.2 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | 81.7 | 91.9 | 126.3 | 67.5 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 686 | T | 31.7 | Very low | 31 | Very low | 140 Ų | 140 | 132 Ų | 132 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | 59.8 | 162 | 117.8 | 39.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 687 | P | 36.1 | Very low | 30.9 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | trans | -122.6 | -169.1 | -152 | 46.3 | -35.3 | 0 | 0 | 0 | 115 | ||||
| 688 | I | 31.7 | Very low | 31.1 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | trans | -170.8 | 171.4 | 142 | -100.4 | 153.1 | 0 | 0 | 0 | 110.6 | ||||
| 689 | S | 29.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -120.6 | -140.1 | -176.6 | -56.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 690 | P | 38.8 | Very low | 31.2 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | -120.1 | -143.6 | -135.4 | 44.2 | -23.4 | 0 | 0 | 0 | 111.4 | ||||
| 691 | P | 40.9 | Very low | 31.3 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | cis | -132.7 | -172.7 | -24.8 | 40.5 | -23.1 | 0 | 0 | 0 | 114.9 | ||||
| 692 | S | 26.7 | Very low | 31.2 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | 81.5 | 126.8 | 142.1 | -68.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 693 | V | 28.2 | Very low | 31.5 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | 60.4 | 128.2 | 122 | 178.1 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 694 | T | 27.2 | Very low | 31.5 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | cis | -168.4 | 162.1 | 21.3 | 11.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 695 | L | 28.4 | Very low | 31.5 | Very low | 157 Ų | 157 | 123.3 Ų | 123.3 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | 57.9 | 160.9 | 147.2 | -64.2 | 163.1 | 0 | 0 | 0 | 120.4 | ||||
| 696 | S | 27.8 | Very low | 31.4 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | cis | -172.9 | 134.2 | -40.2 | 56 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 697 | N | 26.9 | Very low | 31.4 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | trans | 65.9 | 163.1 | 153.7 | -57.4 | -8.5 | 0 | 0 | 0 | 116.4 | ||||
| 698 | T | 31.3 | Very low | 31.1 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | cis | -127.4 | -123.2 | 26.1 | 58.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 699 | T | 29 | Very low | 31.1 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | -166.4 | 149.8 | -130.4 | -55.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 700 | G | 32.8 | Very low | 31 | Very low | 63 Ų | 63 | 129.8 Ų | 129.8 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | trans | -162.1 | 101.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 701 | T | 32.2 | Very low | 30.3 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | 50.2 | 140.1 | 133.3 | 0.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 702 | V | 31.8 | Very low | 29.6 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | cis | -152.8 | 161.8 | 38.7 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 703 | H | 33.3 | Very low | 29.7 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 78.6 | 111.6 | 170.3 | -113 | -79.8 | 0 | 0 | 0 | 116.4 | ||||
| 704 | L | 32.4 | Very low | 29.6 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | cis | 81.6 | 132.3 | 25.2 | -141.7 | 77.9 | 0 | 0 | 0 | 112.1 | ||||
| 705 | L | 32.9 | Very low | 29.6 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | cis | -155 | -175.7 | 41.4 | -73.2 | 148.9 | 0 | 0 | 0 | 110.6 | ||||
| 706 | K | 30.3 | Very low | 29.6 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | cis | 178.6 | 160.1 | -44.5 | -167.5 | -179.2 | 174 | -175 | 0 | 108.7 | ||||
| 707 | E | 31.3 | Very low | 29.5 | Very low | 133 Ų | 133 | 141 Ų | 141 | 62% | 0.621 | 76% | 0.757 | S | S | * | * | trans | 81.2 | 145 | 168.8 | -53 | -147.8 | 143 | 0 | 0 | 117.1 | ||||
| 708 | K | 30.4 | Very low | 29.9 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 73% | 0.726 | 75% | 0.751 | S | S | * | * | cis | -151.9 | 163.8 | -6 | -125.2 | 166.9 | -170.2 | 145.5 | 0 | 111.8 | ||||
| 709 | H | 30.1 | Very low | 29.8 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | -99.1 | 164.5 | 174.3 | -82.1 | -111.9 | 0 | 0 | 0 | 112.3 | ||||
| 710 | S | 27.3 | Very low | 29.8 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | 74.3 | 143.3 | 145.2 | 173 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 711 | S | 24.5 | Very low | 29.6 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | cis | -169.1 | -179.8 | -16.5 | -77.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 712 | F | 27.3 | Very low | 29.3 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | 107.6 | 134.9 | 155.6 | -95.5 | -114.5 | 0 | 0 | 0 | 120.6 | ||||
| 713 | E | 27.6 | Very low | 29.2 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | 63.4 | 106.4 | 153.2 | -78.7 | -174.6 | 111.3 | 0 | 0 | 124.9 | ||||
| 714 | N | 26.1 | Very low | 29.2 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | 71.8 | 150.2 | 111.1 | -74.8 | -14.1 | 0 | 0 | 0 | 123.4 | |||||
| 715 | A | 27.6 | Very low | 28.9 | Very low | 82 Ų | 82 | 147.6 Ų | 147.6 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | 84.6 | 107.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 716 | E | 28.2 | Very low | 28.6 | Very low | 193 Ų | 193 | 149 Ų | 149 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | 74.7 | 138.4 | 126.2 | -61.4 | -174.3 | 127 | 0 | 0 | 123 | |||||
| 717 | E | 27 | Very low | 28.7 | Very low | 183 Ų | 183 | 152.3 Ų | 152.3 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -57.5 | 175.6 | 152.5 | -100.3 | -167.1 | 112.6 | 0 | 0 | 112.3 | ||||
| 718 | P | 34.2 | Very low | 28.8 | Very low | 103 Ų | 103 | 151.8 Ų | 151.8 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -133.7 | -148.1 | 7.4 | 26.7 | -1 | 0 | 0 | 0 | 113.3 | ||||
| 719 | V | 28.8 | Very low | 28.9 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 98.9 | 94.3 | 156 | -174.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 720 | K | 30.4 | Very low | 29.1 | Very low | 197 Ų | 197 | 148.6 Ų | 148.6 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -48 | 144.2 | 144.1 | -89.6 | 177 | 175.6 | 172.7 | 0 | 109.9 | ||||
| 721 | P | 27.1 | Very low | 29.4 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | -159.9 | -170.7 | 75.1 | 43.4 | -22.8 | 0 | 0 | 0 | 117.3 | |||||
| 722 | Q | 27.5 | Very low | 29.9 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 73.2 | 152.6 | 160 | -62.7 | 175.7 | 24.7 | 0 | 0 | 118.4 | ||||
| 723 | L | 28.4 | Very low | 29.9 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | cis | 46.8 | 120.6 | -13.3 | -83.4 | 171.3 | 0 | 0 | 0 | 119.9 | ||||
| 724 | P | 33.8 | Very low | 30.1 | Very low | 88 Ų | 88 | 148.6 Ų | 148.6 | 57% | 0.571 | 78% | 0.782 | S | S | * | * | cis | -142.9 | -173.9 | -2.5 | 45.1 | -27.6 | 0 | 0 | 0 | 114.8 | ||||
| 725 | R | 26.3 | Very low | 30.3 | Very low | 234 Ų | 234 | 149.7 Ų | 149.7 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 58.6 | 160.1 | 153.1 | -73 | 171.7 | 170.9 | 155.6 | -3.2 | 116.8 | ||||
| 726 | E | 26.3 | Very low | 30.6 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | cis | -147.7 | 159 | 28.1 | -73 | -170 | 136.7 | 0 | 0 | 112.9 | ||||
| 727 | R | 33 | Very low | 30.6 | Very low | 233 Ų | 233 | 152.2 Ų | 152.2 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | -159.8 | 110.6 | 116.5 | -110.6 | 177.2 | -180 | 178.9 | -0.1 | 111.9 | |||||
| 728 | T | 32.9 | Very low | 30.9 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | 44.5 | 138.4 | 129.6 | 58.6 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 729 | G | 33.3 | Very low | 30.7 | Very low | 79 Ų | 79 | 155 Ų | 155 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | cis | -131.7 | -165.6 | 26.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 730 | K | 32.9 | Very low | 30.9 | Very low | 206 Ų | 206 | 155.4 Ų | 155.4 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -112.5 | 167 | -169.3 | -56.2 | 168.3 | 177.7 | 173.7 | 0 | 111.4 | ||||
| 731 | I | 34.2 | Very low | 30.9 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | -171.2 | 127.5 | 127.1 | -104.2 | 158.1 | 0 | 0 | 0 | 112.1 | |||||
| 732 | L | 34.8 | Very low | 31.3 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 59 | 140.4 | 163.2 | -60.7 | 172.3 | 0 | 0 | 0 | 118.5 | ||||
| 733 | S | 28.3 | Very low | 31.5 | Very low | 107 Ų | 107 | 149 Ų | 149 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | 75.7 | 142.1 | 19.2 | -135.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 734 | V | 31.9 | Very low | 31.9 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | cis | -140.7 | -176.4 | 28.5 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 735 | K | 28.9 | Very low | 31.8 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -136.5 | 140.8 | -178.6 | 159.8 | -175 | 175.5 | 177.2 | 0 | 111.5 | ||||
| 736 | D | 34.9 | Very low | 32.3 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -162.3 | 151.8 | 147.2 | -88.2 | -41.3 | 0 | 0 | 0 | 108.4 | ||||
| 737 | R | 28.8 | Very low | 33.2 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | cis | 85 | 108.8 | 30.1 | -112.9 | -166.3 | -171.1 | -121.7 | 3.9 | 116 | E739 | R737-E739 IonicContact CZ-OE1 3.89Å; R737-E739 IonicContact NH1-OE1 3.65Å; R737-E739 PolarHBondContact NH1-OE1 3Å | ||
| 738 | F | 31.6 | Very low | 33.3 | Very low | 213 Ų | 213 | 138.8 Ų | 138.8 | 93% | 0.934 | 78% | 0.78 | S | S | * | * | trans | -151.3 | 168.3 | 147.6 | -133.7 | -93.6 | 0 | 0 | 0 | 110.5 | ||||
| 739 | E | 31.3 | Very low | 33.3 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 62% | 0.621 | 78% | 0.783 | S | S | * | * | trans | -131.3 | 171.8 | -157.2 | -58.1 | -176.9 | 150.9 | 0 | 0 | 115.2 | R737 | R737-E739 IonicContact CZ-OE1 3.89Å; R737-E739 IonicContact NH1-OE1 3.65Å; R737-E739 PolarHBondContact NH1-OE1 3Å | ||
| 740 | S | 31.8 | Very low | 33.8 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | 70.1 | 149 | 172.5 | 76.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 741 | G | 31 | Very low | 33.6 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -155.4 | 176.4 | -9.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 742 | I | 35.9 | Very low | 33.4 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | cis | -159.6 | 158.3 | 38.3 | -80.6 | 170.7 | 0 | 0 | 0 | 109.7 | ||||
| 743 | S | 31.3 | Very low | 33.1 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | -1.3 | 148.3 | 157.3 | -131 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 744 | T | 36.8 | Very low | 33.3 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | cis | -145.9 | 129.1 | 31.2 | 46.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 745 | K | 30.9 | Very low | 33.2 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | 81.7 | 141.9 | 79.6 | -92.1 | -156.1 | 173.9 | -174.9 | 0 | 117.3 | |||||
| 746 | P | 36.9 | Very low | 33.8 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -129.2 | -112.1 | -150.5 | 26.2 | 2.8 | 0 | 0 | 0 | 117.6 | ||||
| 747 | P | 45.3 | Very low | 33.7 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | -131.7 | -179.2 | -115.9 | 43.5 | -25.9 | 0 | 0 | 0 | 117.1 | |||||
| 748 | S | 35.9 | Very low | 33.6 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -168.9 | 163.4 | 156.2 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 749 | S | 33.5 | Very low | 33.6 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | cis | -166.4 | 160.7 | -42.5 | -94.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 750 | P | 42.2 | Very low | 33.6 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -112.6 | 167.2 | -166 | 41.1 | -34.5 | 0 | 0 | 0 | 117 | ||||
| 751 | G | 30.3 | Very low | 33.6 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 157 | 153 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 752 | S | 30 | Very low | 33.6 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | cis | -153.9 | 154 | -7.8 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 753 | L | 27 | Very low | 33.4 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | trans | -56 | 151.2 | 167.4 | -73.4 | 136.5 | 0 | 0 | 0 | 115 | ||||
| 754 | V | 33.9 | Very low | 33.5 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -143.7 | 145 | 144.6 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 755 | S | 28.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -160.6 | -163.4 | 169.5 | -44.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 756 | P | 42.1 | Very low | 33.2 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | cis | -137.1 | -157.4 | -19.1 | 27.6 | -1.4 | 0 | 0 | 0 | 112.9 | ||||
| 757 | K | 31.8 | Very low | 33 | Very low | 189 Ų | 189 | 130 Ų | 130 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 86.2 | 150.3 | 153.6 | -67.7 | 170.5 | -180 | 176.6 | 0 | 119.8 | ||||
| 758 | K | 28.1 | Very low | 32.2 | Very low | 182 Ų | 182 | 129.7 Ų | 129.7 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | cis | -173.3 | -177.1 | -31.1 | -137.2 | -168.1 | 179.4 | -167.8 | 0 | 111.2 | ||||
| 759 | V | 32 | Very low | 31.7 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 94.2 | 97.4 | 168.4 | -174.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 760 | N | 30.8 | Very low | 31.4 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | 76 | 131 | 82.8 | -92.5 | 63.6 | 0 | 0 | 0 | 113.2 | |||||
| 761 | T | 31.8 | Very low | 31.1 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | cis | -150.4 | -166.5 | -3.7 | -9.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 762 | E | 30.9 | Very low | 31.1 | Very low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | cis | -162.6 | 179.9 | 15.1 | -143.6 | 174 | -97 | 0 | 0 | 113.3 | ||||
| 763 | Q | 32.3 | Very low | 31.2 | Very low | 152 Ų | 152 | 132 Ų | 132 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | trans | 73.7 | 138.5 | 155.7 | -79.4 | 175.3 | 50.6 | 0 | 0 | 123.4 | ||||
| 764 | T | 32 | Very low | 31.6 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 64.2 | 94.2 | 161.3 | 51.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 765 | N | 29.5 | Very low | 31.8 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | 25.9 | 119.8 | 128.5 | -56.5 | -10.5 | 0 | 0 | 0 | 120.4 | |||||
| 766 | T | 32.4 | Very low | 32.8 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | 177.7 | 135.9 | 109.1 | -70.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 767 | P | 33.4 | Very low | 33.6 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -80.4 | 157.5 | -178 | 32.7 | -36 | 0 | 0 | 0 | 113.9 | S769 | P767-S769 PolarHBondContact O-N 3.1Š| ||
| 768 | A | 27.7 | Very low | 35.9 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 89% | 0.893 | 72% | 0.717 | S | S | * | * | trans | -62.5 | 119.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 769 | S | 26.4 | Very low | 38.7 | Very low | 111 Ų | 111 | 117 Ų | 117 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | trans | -160 | 80.9 | 156.8 | -167.8 | 0 | 0 | 0 | 0 | 110.1 | P767 | P767-S769 PolarHBondContact O-N 3.1Š| ||
| 770 | S | 26.7 | Very low | 41.4 | Very low | 102 Ų | 102 | 114.5 Ų | 114.5 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | trans | -152.9 | 21.1 | -170.6 | -45.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 771 | I | 34.9 | Very low | 44.1 | Very low | 169 Ų | 169 | 111.9 Ų | 111.9 | 87% | 0.867 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -123.9 | 26.6 | -178 | -49.8 | -179.6 | 0 | 0 | 0 | 111 | ||
| 772 | L | 30.2 | Very low | 46.8 | Very low | 131 Ų | 131 | 108.4 Ų | 108.4 | 69% | 0.686 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -133.1 | -0.1 | -178.7 | -84 | 171.3 | 0 | 0 | 0 | 115.1 | ||
| 773 | S | 32.1 | Very low | 49.7 | Very low | 98 Ų | 98 | 101.8 Ų | 101.8 | 69% | 0.685 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -87.5 | -13 | -168 | 46.6 | 0 | 0 | 0 | 0 | 116.6 | ||
| 774 | E | 36.4 | Very low | 52.5 | Low | 161 Ų | 161 | 98.8 Ų | 98.8 | 75% | 0.752 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -107.7 | -43.6 | -175.5 | -65.1 | -173.8 | 151.7 | 0 | 0 | 113.5 | E776 T777 | E774-E776 PolarHBondContact O-N 2.88Å; E774-E776 VanDerWaalsContact O-N 3.11Å; E774-T777 WeakPolarHBondContact O-CG2 3.49Å; E774-T777 PolarHBondContact O-N 2.87Å; E774-T777 PolarHBondContact O-OG1 3.49Å |
| 775 | A | 38.6 | Very low | 55.3 | Low | 79 Ų | 79 | 100 Ų | 100 | 65% | 0.653 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -21.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T777 T781 | A775-T777 VanDerWaalsContact C-N 3.34Å; A775-T781 PolarHBondContact O-OG1 2.89Å |
| 776 | E | 48.1 | Very low | 58.3 | Low | 104 Ų | 104 | 92.6 Ų | 92.6 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -17.7 | -179.8 | -62.3 | -155 | 146 | 0 | 0 | 113.5 | E774 N778 R785 R1221 | E774-E776 PolarHBondContact O-N 2.88Å; E774-E776 VanDerWaalsContact O-N 3.11Å; E776-N778 PolarHBondContact O-N 2.93Å; E776-R785 IonicContact OE1-NH1 3.05Å; E776-R1221 PolarHBondContact O-NH1 3.49Å; E776-R1221 PolarHBondContact O-NH2 3.48Å |
| 777 | T | 58.6 | Low | 61.1 | Low | 104 Ų | 104 | 87.9 Ų | 87.9 | 64% | 0.638 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -67.2 | -27.6 | -164.5 | 52.5 | 0 | 0 | 0 | 0 | 115.9 | E774 A775 R1221 | E774-T777 WeakPolarHBondContact O-CG2 3.49Å; E774-T777 PolarHBondContact O-N 2.87Å; E774-T777 PolarHBondContact O-OG1 3.49Å; A775-T777 VanDerWaalsContact C-N 3.34Å; T777-R1221 VanDerWaalsContact C-NH1 3.3Å; T777-R1221 PolarHBondContact O-NH1 3.08Å |
| 778 | N | 80.8 | Confident | 63.8 | Low | 87 Ų | 87 | 84.9 Ų | 84.9 | 47% | 0.465 | 48% | 0.482 | S | S | . | . | trans | -90.4 | 144.8 | -176.1 | -169.1 | -29.7 | 0 | 0 | 0 | 111.8 | E776 E780 T781 F782 | E776-N778 PolarHBondContact O-N 2.93Å; N778-E780 PolarHBondContact OD1-N 2.8Å; N778-T781 HydrophobicContact CB-CG2 4.07Å; N778-T781 PolarHBondContact O-OG1 2.87Å; N778-T781 VanDerWaalsContact O-OG1 3.09Å; N778-F782 PolarHBondContact O-N 2.87Å | ||
| 779 | V | 87.1 | Confident | 66.8 | Low | 17 Ų | 17 | 82.9 Ų | 82.9 | 10% | 0.103 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -76.1 | -33 | 177 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | F782 W783 K1214 W1217 E1218 M1244 | V779-F782 PolarHBondContact O-N 3.43Å; V779-W783 WeakPolarHBondContact O-CB 3.47Å; V779-W783 PolarHBondContact O-N 2.92Å; V779-K1214 HydrophobicContact CG1-CB 4.4Å; V779-K1214 HydrophobicContact CG1-CG 4.48Å; V779-W1217 HydrophobicContact CG1-CB 4.34Å; V779-W1217 HydrophobicContact CG1-CG 4.43Å; V779-E1218 HydrophobicContact CB-CG 4.43Å; V779-E1218 HydrophobicContact CG2-CG 3.6Å; V779-M1244 HydrophobicContact CG1-CE 4.14Å |
| 780 | E | 89.3 | Confident | 69.8 | Low | 74 Ų | 74 | 78 Ų | 78 | 35% | 0.346 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.5 | -34.6 | 177.8 | -171.3 | 54.6 | -139.3 | 0 | 0 | 111.7 | N778 F782 W783 Q784 K1214 | N778-E780 PolarHBondContact OD1-N 2.8Å; E780-F782 VanDerWaalsContact C-N 3.27Å; E780-F782 PolarHBondContact O-N 2.73Å; E780-W783 PolarHBondContact O-N 3.06Å; E780-Q784 WeakPolarHBondContact O-CG 3.49Å; E780-Q784 PolarHBondContact O-N 3.24Å; E780-Q784 PolarHBondContact OE1-NE2 3.43Å; E780-K1214 IonicContact OE2-NZ 3.94Å; E780-K1214 PolarHBondContact OE2-NZ 2.95Å |
| 781 | T | 86.9 | Confident | 72.7 | Confident | 71 Ų | 71 | 78.8 Ų | 78.8 | 44% | 0.436 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.2 | -32.1 | 172.7 | 59.7 | 0 | 0 | 0 | 0 | 111.8 | A775 N778 R785 | A775-T781 PolarHBondContact O-OG1 2.89Å; N778-T781 HydrophobicContact CB-CG2 4.07Å; N778-T781 PolarHBondContact O-OG1 2.87Å; N778-T781 VanDerWaalsContact O-OG1 3.09Å; T781-R785 WeakPolarHBondContact O-CB 3.43Å; T781-R785 PolarHBondContact O-N 3.06Å; T781-R785 VanDerWaalsContact O-N 3.14Å |
| 782 | F | 88.4 | Confident | 75 | Confident | 34 Ų | 34 | 79.7 Ų | 79.7 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70.6 | -43.9 | 171.7 | -172.2 | -101.1 | 0 | 0 | 0 | 112.2 | N778 V779 E780 Q784 R785 C786 W1217 T1241 M1244 | N778-F782 PolarHBondContact O-N 2.87Å; V779-F782 PolarHBondContact O-N 3.43Å; E780-F782 VanDerWaalsContact C-N 3.27Å; E780-F782 PolarHBondContact O-N 2.73Å; F782-Q784 PolarHBondContact O-N 3.1Å; F782-R785 WeakPolarHBondContact O-CB 3.44Å; F782-R785 PolarHBondContact O-N 2.9Å; F782-R785 VanDerWaalsContact O-N 3.13Å; F782-C786 PolarHBondContact O-N 3.22Å; F782-W1217 AromaticContact CD1-CD2 3.98Å; F782-W1217 HydrophobicContact CD1-CD2 3.98Å; F782-W1217 AromaticContact CD1-CE2 3.55Å; F782-W1217 HydrophobicContact CD1-CE3 4.47Å; F782-W1217 HydrophobicContact CD1-CG 4.45Å; F782-W1217 HydrophobicContact CD1-CH2 4.28Å; F782-W1217 AromaticContact CD1-CZ2 3.74Å; F782-W1217 HydrophobicContact CD1-CZ2 3.74Å; F782-W1217 AromaticContact CD1-NE1 3.72Å; F782-W1217 AromaticContact CD2-CZ2 3.84Å; F782-W1217 HydrophobicContact CD2-CZ2 3.84Å; F782-W1217 AromaticContact CE1-CD2 3.89Å; F782-W1217 HydrophobicContact CE1-CD2 3.89Å; F782-W1217 AromaticContact CE1-CE2 3.62Å; F782-W1217 AromaticContact CE1-CE3 3.93Å; F782-W1217 HydrophobicContact CE1-CE3 3.93Å; F782-W1217 AromaticContact CE1-CH2 3.54Å; F782-W1217 HydrophobicContact CE1-CH2 3.54Å; F782-W1217 AromaticContact CE1-CZ2 3.47Å; F782-W1217 HydrophobicContact CE1-CZ2 3.47Å; F782-W1217 VanDerWaalsContact CE1-CZ2 3.47Å; F782-W1217 AromaticContact CE1-CZ3 3.76Å; F782-W1217 HydrophobicContact CE1-CZ3 3.76Å; F782-W1217 AromaticContact CE2-CH2 3.82Å; F782-W1217 HydrophobicContact CE2-CH2 3.82Å; F782-W1217 AromaticContact CE2-CZ2 3.58Å; F782-W1217 HydrophobicContact CE2-CZ2 3.58Å; F782-W1217 AromaticContact CG-CE2 3.91Å; F782-W1217 AromaticContact CG-CZ2 3.91Å; F782-W1217 HydrophobicContact CG-CZ2 3.91Å; F782-W1217 AromaticContact CG-NE1 3.85Å; F782-W1217 HydrophobicContact CZ-CE3 4.47Å; F782-W1217 AromaticContact CZ-CH2 3.27Å; F782-W1217 HydrophobicContact CZ-CH2 3.27Å; F782-W1217 AromaticContact CZ-CZ2 3.38Å; F782-W1217 HydrophobicContact CZ-CZ2 3.38Å; F782-W1217 AromaticContact CZ-CZ3 3.86Å; F782-W1217 HydrophobicContact CZ-CZ3 3.86Å; F782-T1241 HydrophobicContact CZ-CG2 3.91Å; F782-M1244 HydrophobicContact CD1-SD 3.58Å; F782-M1244 VanDerWaalsContact CD1-SD 3.58Å; F782-M1244 HydrophobicContact CE1-SD 3.63Å |
| 783 | W | 91.3 | Very high | 77.6 | Confident | 7 Ų | 7 | 80 Ų | 80 | 3% | 0.027 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.1 | -49.4 | 175.1 | -174.9 | -106 | 0 | 0 | 0 | 111.8 | V779 E780 R785 C786 L787 E1210 K1214 M1244 V1247 I1248 | V779-W783 WeakPolarHBondContact O-CB 3.47Å; V779-W783 PolarHBondContact O-N 2.92Å; E780-W783 PolarHBondContact O-N 3.06Å; W783-R785 VanDerWaalsContact C-N 3.31Å; W783-R785 PolarHBondContact O-N 2.92Å; W783-C786 PolarHBondContact O-N 3.17Å; W783-C786 VanDerWaalsContact O-N 3.13Å; W783-L787 WeakPolarHBondContact O-CB 3.36Å; W783-L787 PolarHBondContact O-N 3.17Å; W783-E1210 HydrophobicContact CH2-CB 4.13Å; W783-E1210 HydrophobicContact CH2-CG 3.71Å; W783-E1210 HydrophobicContact CZ2-CB 4.36Å; W783-E1210 HydrophobicContact CZ2-CG 3.67Å; W783-K1214 HydrophobicContact CD2-CD 4.47Å; W783-K1214 HydrophobicContact CD2-CG 4.49Å; W783-K1214 VanDerWaalsContact CE2-CE 3.4Å; W783-K1214 HydrophobicContact CE3-CG 4.1Å; W783-K1214 HydrophobicContact CZ3-CG 4.31Å; W783-M1244 HydrophobicContact CE3-CB 4.18Å; W783-M1244 HydrophobicContact CE3-CE 3.92Å; W783-M1244 HydrophobicContact CE3-CG 3.99Å; W783-M1244 HydrophobicContact CE3-SD 3.98Å; W783-M1244 HydrophobicContact CZ3-CB 4.01Å; W783-M1244 HydrophobicContact CZ3-CE 4.31Å; W783-M1244 HydrophobicContact CZ3-CG 3.86Å; W783-M1244 HydrophobicContact CZ3-SD 4.43Å; W783-V1247 HydrophobicContact CH2-CB 4.26Å; W783-V1247 HydrophobicContact CH2-CG1 3.95Å; W783-I1248 HydrophobicContact CD2-CD1 3.91Å; W783-I1248 HydrophobicContact CD2-CG1 4.17Å; W783-I1248 HydrophobicContact CE3-CD1 4Å; W783-I1248 HydrophobicContact CE3-CG1 4.31Å; W783-I1248 HydrophobicContact CH2-CD1 4.25Å; W783-I1248 HydrophobicContact CH2-CG1 3.65Å; W783-I1248 HydrophobicContact CZ2-CD1 4.15Å; W783-I1248 HydrophobicContact CZ2-CG1 3.46Å; W783-I1248 VanDerWaalsContact CZ2-CG1 3.46Å; W783-I1248 HydrophobicContact CZ3-CD1 4.17Å; W783-I1248 HydrophobicContact CZ3-CG1 4.07Å |
| 784 | Q | 92.1 | Very high | 80.1 | Confident | 90 Ų | 90 | 79.3 Ų | 79.3 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60 | -38.8 | 175 | -66 | -60 | -32.5 | 0 | 0 | 112.1 | E780 F782 C786 L787 D788 | E780-Q784 WeakPolarHBondContact O-CG 3.49Å; E780-Q784 PolarHBondContact O-N 3.24Å; E780-Q784 PolarHBondContact OE1-NE2 3.43Å; F782-Q784 PolarHBondContact O-N 3.1Å; Q784-C786 PolarHBondContact O-N 3.08Å; Q784-L787 PolarHBondContact O-N 3.4Å; Q784-D788 WeakPolarHBondContact O-CB 3.41Å; Q784-D788 PolarHBondContact O-N 2.99Å |
| 785 | R | 90.8 | Very high | 82.5 | Confident | 146 Ų | 146 | 71.9 Ų | 71.9 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65.1 | -37 | 175 | -173.1 | 176.7 | -176.1 | 177.7 | 0.2 | 112.6 | E776 T781 F782 W783 K789 | E776-R785 IonicContact OE1-NH1 3.05Å; T781-R785 WeakPolarHBondContact O-CB 3.43Å; T781-R785 PolarHBondContact O-N 3.06Å; T781-R785 VanDerWaalsContact O-N 3.14Å; F782-R785 WeakPolarHBondContact O-CB 3.44Å; F782-R785 PolarHBondContact O-N 2.9Å; F782-R785 VanDerWaalsContact O-N 3.13Å; W783-R785 VanDerWaalsContact C-N 3.31Å; W783-R785 PolarHBondContact O-N 2.92Å; R785-K789 WeakPolarHBondContact O-CG 3.48Å; R785-K789 PolarHBondContact O-N 3.01Å |
| 786 | C | 91.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 173 | -72.3 | 0 | 0 | 0 | 0 | 111.3 | F782 W783 Q784 D788 K789 V790 E1245 I1248 | F782-C786 PolarHBondContact O-N 3.22Å; W783-C786 PolarHBondContact O-N 3.17Å; W783-C786 VanDerWaalsContact O-N 3.13Å; Q784-C786 PolarHBondContact O-N 3.08Å; C786-D788 VanDerWaalsContact C-N 3.3Å; C786-D788 PolarHBondContact O-N 3.18Å; C786-K789 WeakPolarHBondContact O-CB 3.38Å; C786-K789 PolarHBondContact O-N 2.89Å; C786-V790 WeakPolarHBondContact O-CG2 3.23Å; C786-V790 PolarHBondContact O-N 2.82Å; C786-E1245 HydrophobicContact CB-CG 3.82Å; C786-I1248 HydrophobicContact CB-CD1 3.78Å |
| 787 | L | 91.9 | Very high | 86.7 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 177.6 | 175.3 | 147.7 | 0 | 0 | 0 | 112.3 | W783 Q784 K789 V790 K791 I1248 | W783-L787 WeakPolarHBondContact O-CB 3.36Å; W783-L787 PolarHBondContact O-N 3.17Å; Q784-L787 PolarHBondContact O-N 3.4Å; L787-K789 VanDerWaalsContact C-N 3.35Å; L787-K789 PolarHBondContact O-N 3.22Å; L787-V790 PolarHBondContact O-N 3.02Å; L787-K791 HydrophobicContact CD2-CD 4.04Å; L787-K791 WeakPolarHBondContact O-CB 3.23Å; L787-K791 WeakPolarHBondContact O-CG 3.47Å; L787-K791 PolarHBondContact O-N 2.78Å; L787-I1248 HydrophobicContact CB-CD1 3.95Å; L787-I1248 HydrophobicContact CB-CG2 4.03Å; L787-I1248 HydrophobicContact CD1-CG2 4.2Å; L787-I1248 HydrophobicContact CG-CG2 4.09Å |
| 788 | D | 90.2 | Very high | 88 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 31% | 0.31 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -72.5 | -22.3 | 175 | -118.1 | 46 | 0 | 0 | 0 | 114 | Q784 C786 K791 R792 | Q784-D788 WeakPolarHBondContact O-CB 3.41Å; Q784-D788 PolarHBondContact O-N 2.99Å; C786-D788 VanDerWaalsContact C-N 3.3Å; C786-D788 PolarHBondContact O-N 3.18Å; D788-K791 IonicContact OD1-NZ 3.99Å; D788-K791 PolarHBondContact OD1-NZ 3.23Å; D788-R792 WeakPolarHBondContact O-CG 3.45Å; D788-R792 PolarHBondContact O-NH1 2.92Å; D788-R792 IonicContact OD2-CZ 2.94Å; D788-R792 IonicContact OD2-NH1 3.39Å; D788-R792 PolarHBondContact OD2-NH1 3.49Å; D788-R792 IonicContact OD2-NH2 3.27Å; D788-R792 PolarHBondContact OD2-NH2 2.96Å |
| 789 | K | 90.3 | Very high | 88.2 | Confident | 67 Ų | 67 | 74.5 Ų | 74.5 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -73 | -48.8 | 166.2 | -64.7 | 165 | -176.9 | 165 | 0 | 110.7 | R785 C786 L787 K791 R792 E1245 | R785-K789 WeakPolarHBondContact O-CG 3.48Å; R785-K789 PolarHBondContact O-N 3.01Å; C786-K789 WeakPolarHBondContact O-CB 3.38Å; C786-K789 PolarHBondContact O-N 2.89Å; L787-K789 VanDerWaalsContact C-N 3.35Å; L787-K789 PolarHBondContact O-N 3.22Å; K789-K791 PolarHBondContact O-N 3.15Å; K789-R792 PolarHBondContact O-N 2.99Å; K789-E1245 HydrophobicContact CD-CG 4.49Å; K789-E1245 WeakPolarHBondContact CD-OE1 3.45Å; K789-E1245 WeakPolarHBondContact CE-OE1 3.36Å; K789-E1245 IonicContact NZ-OE1 3.98Å; K789-E1245 PolarHBondContact NZ-OE1 2.62Å |
| 790 | V | 90.8 | Very high | 88.4 | Confident | 9 Ų | 9 | 75.8 Ų | 75.8 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | -173.6 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | C786 L787 R792 R793 E1245 I1248 C1249 M1252 | C786-V790 WeakPolarHBondContact O-CG2 3.23Å; C786-V790 PolarHBondContact O-N 2.82Å; L787-V790 PolarHBondContact O-N 3.02Å; V790-R792 PolarHBondContact O-N 3.4Å; V790-R793 PolarHBondContact O-N 3.25Å; V790-E1245 HydrophobicContact CG2-CB 3.81Å; V790-E1245 HydrophobicContact CG2-CG 4.04Å; V790-E1245 VanDerWaalsContact CG2-O 3.26Å; V790-E1245 WeakPolarHBondContact CG2-O 3.5Å; V790-I1248 HydrophobicContact CB-CG2 4.25Å; V790-I1248 HydrophobicContact CG1-CG2 4.23Å; V790-I1248 HydrophobicContact CG2-CB 4.45Å; V790-I1248 HydrophobicContact CG2-CG2 4.5Å; V790-C1249 HydrophobicContact CG1-CB 4.11Å; V790-M1252 HydrophobicContact CG1-SD 3.9Å |
| 791 | K | 87.3 | Confident | 88.4 | Confident | 118 Ų | 118 | 74.7 Ų | 74.7 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -25.6 | 172 | -79.3 | 173.5 | 179.9 | 165.9 | 0 | 114.8 | L787 D788 K789 M1252 | L787-K791 HydrophobicContact CD2-CD 4.04Å; L787-K791 WeakPolarHBondContact O-CB 3.23Å; L787-K791 WeakPolarHBondContact O-CG 3.47Å; L787-K791 PolarHBondContact O-N 2.78Å; D788-K791 IonicContact OD1-NZ 3.99Å; D788-K791 PolarHBondContact OD1-NZ 3.23Å; K789-K791 PolarHBondContact O-N 3.15Å; K791-M1252 HydrophobicContact CG-CE 4.45Å; K791-M1252 HydrophobicContact CG-SD 4.44Å |
| 792 | R | 83.7 | Confident | 88.7 | Confident | 187 Ų | 187 | 71.3 Ų | 71.3 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 7.9 | -176.4 | -62.3 | 179.7 | 178.3 | 100.3 | -1.3 | 113.3 | D788 K789 V790 | D788-R792 WeakPolarHBondContact O-CG 3.45Å; D788-R792 PolarHBondContact O-NH1 2.92Å; D788-R792 IonicContact OD2-CZ 2.94Å; D788-R792 IonicContact OD2-NH1 3.39Å; D788-R792 PolarHBondContact OD2-NH1 3.49Å; D788-R792 IonicContact OD2-NH2 3.27Å; D788-R792 PolarHBondContact OD2-NH2 2.96Å; K789-R792 PolarHBondContact O-N 2.99Å; V790-R792 PolarHBondContact O-N 3.4Å |
| 793 | R | 84.6 | Confident | 88.7 | Confident | 139 Ų | 139 | 72.9 Ų | 72.9 | 53% | 0.525 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -119.5 | 157.4 | -179.1 | -72.9 | -175.2 | -175 | 159.2 | 7.2 | 111.6 | V790 E1245 | V790-R793 PolarHBondContact O-N 3.25Å; R793-E1245 IonicContact CZ-OE2 3.2Å; R793-E1245 IonicContact NH1-OE2 3.65Å; R793-E1245 PolarHBondContact NH1-OE2 3.08Å; R793-E1245 IonicContact NH2-OE2 3.22Å; R793-E1245 PolarHBondContact NH2-OE2 3.03Å |
| 794 | P | 83.4 | Confident | 88.5 | Confident | 82 Ų | 82 | 75.5 Ų | 75.5 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | trans | -59.4 | 141 | 166.2 | 26.3 | -34.7 | 0 | 0 | 0 | 110.7 | R796 T803 | P794-R796 PolarHBondContact O-N 2.81Å; P794-T803 HydrophobicContact CB-CG2 3.72Å; P794-T803 WeakPolarHBondContact CB-OG1 3.4Å | ||
| 795 | L | 87.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | trans | -77.3 | 87.4 | 179.1 | -66.2 | -179.1 | 0 | 0 | 0 | 109.8 | F802 T803 M1252 V1253 | L795-F802 HydrophobicContact CB-CB 4Å; L795-F802 CarbonylContact O-C 3.46Å; L795-F802 WeakPolarHBondContact O-CA 3.42Å; L795-F802 WeakPolarHBondContact O-CB 3.22Å; L795-F802 PolarHBondContact O-N 3.06Å; L795-T803 PolarHBondContact N-OG1 2.86Å; L795-T803 PolarHBondContact O-N 3.09Å; L795-M1252 HydrophobicContact CD1-CB 4.46Å; L795-M1252 HydrophobicContact CD2-CB 4.13Å; L795-M1252 HydrophobicContact CD2-CE 4.15Å; L795-M1252 HydrophobicContact CD2-SD 4.34Å; L795-V1253 HydrophobicContact CB-CG2 4.31Å; L795-V1253 HydrophobicContact CD1-CG2 4.16Å | ||
| 796 | R | 86.4 | Confident | 87.2 | Confident | 155 Ų | 155 | 72.5 Ų | 72.5 | 59% | 0.585 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.8 | 175.1 | -71.2 | -177.3 | 168.5 | -169 | -7.6 | 110.9 | P794 L800 D801 | P794-R796 PolarHBondContact O-N 2.81Å; R796-L800 WeakPolarHBondContact CA-O 3.39Å; R796-D801 HydrophobicContact CG-CB 4.32Å; R796-D801 IonicContact CZ-OD2 2.79Å; R796-D801 VanDerWaalsContact NE-CG 3.3Å; R796-D801 IonicContact NE-OD1 2.89Å; R796-D801 IonicContact NE-OD2 3.68Å; R796-D801 PolarHBondContact NE-OD2 3.36Å; R796-D801 IonicContact NH2-OD2 3.75Å; R796-D801 PolarHBondContact NH2-OD2 3.46Å |
| 797 | L | 87.8 | Confident | 85.9 | Confident | 4 Ų | 4 | 75.6 Ų | 75.6 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 95.9 | 177.5 | -90.8 | 131.2 | 0 | 0 | 0 | 108.1 | D799 L800 F802 E1101 R1246 C1249 L1250 V1253 | L797-D799 PolarHBondContact O-N 2.86Å; L797-D799 VanDerWaalsContact O-N 3.1Å; L797-L800 PolarHBondContact N-O 3.43Å; L797-L800 WeakPolarHBondContact O-CB 3.26Å; L797-L800 PolarHBondContact O-N 3.43Å; L797-F802 HydrophobicContact CB-CE2 4.5Å; L797-F802 HydrophobicContact CD1-CD2 4.27Å; L797-F802 HydrophobicContact CD1-CE2 4.15Å; L797-E1101 HydrophobicContact CD2-CG 4.28Å; L797-R1246 HydrophobicContact CD2-CB 4.12Å; L797-R1246 HydrophobicContact CD2-CG 4.44Å; L797-C1249 HydrophobicContact CD1-CB 4.14Å; L797-C1249 HydrophobicContact CG-CB 4.45Å; L797-L1250 HydrophobicContact CD1-CD2 3.74Å; L797-L1250 HydrophobicContact CD1-CG 4Å; L797-L1250 HydrophobicContact CD2-CD1 4.3Å; L797-L1250 HydrophobicContact CD2-CD2 4Å; L797-L1250 HydrophobicContact CD2-CG 3.8Å; L797-V1253 HydrophobicContact CD1-CG2 4.34Å |
| 798 | K | 85.2 | Confident | 84.2 | Confident | 107 Ų | 107 | 78.1 Ų | 78.1 | 47% | 0.465 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -113.1 | -169.8 | -64.9 | 163.5 | 168.8 | 167.7 | 0 | 110 | E1098 E1101 | K798-E1098 WeakPolarHBondContact CE-OE1 3.13Å; K798-E1098 IonicContact NZ-OE1 3.68Å; K798-E1098 PolarHBondContact NZ-OE1 3.36Å; K798-E1101 WeakPolarHBondContact CE-OE2 3.04Å; K798-E1101 IonicContact NZ-OE2 2.61Å; K798-E1101 PolarHBondContact NZ-OE2 2.78Å |
| 799 | D | 86.2 | Confident | 81.9 | Confident | 164 Ų | 164 | 84.2 Ų | 84.2 | 88% | 0.877 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.6 | -178 | -46.2 | -63.2 | 0 | 0 | 0 | 113.2 | L797 | L797-D799 PolarHBondContact O-N 2.86Å; L797-D799 VanDerWaalsContact O-N 3.1Å |
| 800 | L | 90.1 | Very high | 79.5 | Confident | 44 Ų | 44 | 88.6 Ų | 88.6 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.6 | 179.7 | -57.5 | 176.8 | 0 | 0 | 0 | 110.8 | R796 L797 F802 A1105 N1109 | R796-L800 WeakPolarHBondContact CA-O 3.39Å; L797-L800 PolarHBondContact N-O 3.43Å; L797-L800 WeakPolarHBondContact O-CB 3.26Å; L797-L800 PolarHBondContact O-N 3.43Å; L800-F802 HydrophobicContact CB-CD2 4.45Å; L800-F802 HydrophobicContact CB-CE2 3.76Å; L800-F802 HydrophobicContact CB-CZ 4.36Å; L800-F802 HydrophobicContact CD1-CE2 4.46Å; L800-A1105 HydrophobicContact CD1-CB 3.8Å; L800-N1109 HydrophobicContact CD1-CB 4.32Å; L800-N1109 HydrophobicContact CD2-CB 4.16Å |
| 801 | D | 90.6 | Very high | 76.9 | Confident | 51 Ų | 51 | 97 Ų | 97 | 27% | 0.273 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.6 | 177.9 | -161 | -13.8 | 0 | 0 | 0 | 111.5 | R796 T803 K1112 | R796-D801 HydrophobicContact CG-CB 4.32Å; R796-D801 IonicContact CZ-OD2 2.79Å; R796-D801 VanDerWaalsContact NE-CG 3.3Å; R796-D801 IonicContact NE-OD1 2.89Å; R796-D801 IonicContact NE-OD2 3.68Å; R796-D801 PolarHBondContact NE-OD2 3.36Å; R796-D801 IonicContact NH2-OD2 3.75Å; R796-D801 PolarHBondContact NH2-OD2 3.46Å; D801-T803 WeakPolarHBondContact OD1-CB 3.36Å; D801-T803 PolarHBondContact OD1-N 2.94Å; D801-T803 PolarHBondContact OD1-OG1 2.97Å; D801-K1112 PolarHBondContact O-NZ 2.87Å |
| 802 | F | 92.8 | Very high | 74.2 | Confident | 0 Ų | 0 | 98 Ų | 98 | 0% | 0 | 47% | 0.473 | C | S | . | . | trans | -122.9 | 16.4 | 176.5 | -60.2 | -84.5 | 0 | 0 | 0 | 111.8 | L795 L797 L800 D804 L805 L1108 N1109 K1112 V1253 | L795-F802 HydrophobicContact CB-CB 4Å; L795-F802 CarbonylContact O-C 3.46Å; L795-F802 WeakPolarHBondContact O-CA 3.42Å; L795-F802 WeakPolarHBondContact O-CB 3.22Å; L795-F802 PolarHBondContact O-N 3.06Å; L797-F802 HydrophobicContact CB-CE2 4.5Å; L797-F802 HydrophobicContact CD1-CD2 4.27Å; L797-F802 HydrophobicContact CD1-CE2 4.15Å; L800-F802 HydrophobicContact CB-CD2 4.45Å; L800-F802 HydrophobicContact CB-CE2 3.76Å; L800-F802 HydrophobicContact CB-CZ 4.36Å; L800-F802 HydrophobicContact CD1-CE2 4.46Å; F802-D804 PolarHBondContact O-N 2.86Å; F802-L805 HydrophobicContact CB-CD1 4.05Å; F802-L805 HydrophobicContact CB-CG 4.37Å; F802-L805 HydrophobicContact CD1-CD1 4.07Å; F802-L805 HydrophobicContact CG-CD1 4.5Å; F802-L805 VanDerWaalsContact O-CB 3.3Å; F802-L805 WeakPolarHBondContact O-CB 3.46Å; F802-L805 PolarHBondContact O-N 2.94Å; F802-L1108 HydrophobicContact CE1-CB 4.32Å; F802-L1108 HydrophobicContact CZ-CB 4.34Å; F802-N1109 HydrophobicContact CE1-CB 4.12Å; F802-N1109 HydrophobicContact CZ-CB 3.86Å; F802-K1112 HydrophobicContact CD1-CD 4.1Å; F802-V1253 HydrophobicContact CB-CG1 4.35Å; F802-V1253 HydrophobicContact CB-CG2 3.69Å; F802-V1253 HydrophobicContact CD1-CG1 3.45Å; F802-V1253 VanDerWaalsContact CD1-CG1 3.45Å; F802-V1253 HydrophobicContact CD1-CG2 4.3Å; F802-V1253 HydrophobicContact CD2-CG1 4.07Å; F802-V1253 HydrophobicContact CD2-CG2 3.82Å; F802-V1253 HydrophobicContact CE1-CG1 3.54Å; F802-V1253 HydrophobicContact CE2-CG1 4.16Å; F802-V1253 HydrophobicContact CE2-CG2 4.48Å; F802-V1253 HydrophobicContact CG-CB 4.41Å; F802-V1253 HydrophobicContact CG-CG1 3.71Å; F802-V1253 HydrophobicContact CG-CG2 3.7Å; F802-V1253 HydrophobicContact CZ-CG1 3.9Å | ||
| 803 | T | 88.4 | Confident | 71.7 | Confident | 66 Ų | 66 | 91.4 Ų | 91.4 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.6 | -176.1 | -51.2 | 0 | 0 | 0 | 0 | 113.3 | P794 L795 D801 L805 | P794-T803 HydrophobicContact CB-CG2 3.72Å; P794-T803 WeakPolarHBondContact CB-OG1 3.4Å; L795-T803 PolarHBondContact N-OG1 2.86Å; L795-T803 PolarHBondContact O-N 3.09Å; D801-T803 WeakPolarHBondContact OD1-CB 3.36Å; D801-T803 PolarHBondContact OD1-N 2.94Å; D801-T803 PolarHBondContact OD1-OG1 2.97Å; T803-L805 VanDerWaalsContact C-N 3.29Å |
| 804 | D | 87.1 | Confident | 69.1 | Low | 63 Ų | 63 | 94 Ų | 94 | 34% | 0.337 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -6.5 | 171.1 | 69.2 | -51.2 | 0 | 0 | 0 | 114 | F802 E806 K1112 R1260 | F802-D804 PolarHBondContact O-N 2.86Å; D804-E806 PolarHBondContact O-N 3.11Å; D804-K1112 VanDerWaalsContact CG-NZ 3.32Å; D804-K1112 VanDerWaalsContact OD1-CE 3.31Å; D804-K1112 WeakPolarHBondContact OD1-CE 3.32Å; D804-K1112 IonicContact OD1-NZ 2.64Å; D804-K1112 PolarHBondContact OD1-NZ 3.27Å; D804-K1112 VanDerWaalsContact OD2-CE 3.28Å; D804-K1112 WeakPolarHBondContact OD2-CE 3.49Å; D804-K1112 IonicContact OD2-NZ 2.75Å; D804-K1112 PolarHBondContact OD2-NZ 3.49Å; D804-R1260 IonicContact OD2-CZ 2.75Å; D804-R1260 IonicContact OD2-NH1 3.98Å; D804-R1260 PolarHBondContact OD2-NH1 3.36Å; D804-R1260 IonicContact OD2-NH2 3.84Å |
| 805 | L | 83.7 | Confident | 66.6 | Low | 4 Ų | 4 | 99.8 Ų | 99.8 | 2% | 0.021 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -78.1 | 96.3 | 166.1 | -62.7 | -177 | 0 | 0 | 0 | 108.2 | F802 T803 V1253 R1256 M1257 | F802-L805 HydrophobicContact CB-CD1 4.05Å; F802-L805 HydrophobicContact CB-CG 4.37Å; F802-L805 HydrophobicContact CD1-CD1 4.07Å; F802-L805 HydrophobicContact CG-CD1 4.5Å; F802-L805 VanDerWaalsContact O-CB 3.3Å; F802-L805 WeakPolarHBondContact O-CB 3.46Å; F802-L805 PolarHBondContact O-N 2.94Å; T803-L805 VanDerWaalsContact C-N 3.29Å; L805-V1253 HydrophobicContact CD1-CB 4.49Å; L805-V1253 HydrophobicContact CD1-CG1 4.03Å; L805-R1256 HydrophobicContact CB-CB 3.91Å; L805-R1256 HydrophobicContact CD1-CB 4.03Å; L805-R1256 HydrophobicContact CG-CB 4.43Å; L805-R1256 WeakPolarHBondContact O-CD 3.47Å; L805-R1256 PolarHBondContact O-NH1 3.09Å; L805-M1257 HydrophobicContact CD1-CB 4.29Å; L805-M1257 HydrophobicContact CD2-SD 3.85Å |
| 806 | E | 72.1 | Confident | 63.8 | Low | 169 Ų | 169 | 104.7 Ų | 104.7 | 79% | 0.79 | 53% | 0.533 | S | S | * | . | trans | -55.6 | 156 | 179.5 | -64.7 | -172.5 | 164 | 0 | 0 | 112.6 | D804 E808 R1256 | D804-E806 PolarHBondContact O-N 3.11Å; E806-E808 PolarHBondContact O-N 3.49Å; E806-R1256 VanDerWaalsContact O-CD 3.23Å; E806-R1256 WeakPolarHBondContact O-CD 3.38Å; E806-R1256 PolarHBondContact O-NE 3.24Å | ||
| 807 | A | 64.2 | Low | 61.3 | Low | 64 Ų | 64 | 103.1 Ų | 103.1 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | trans | -77.1 | 110 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | E809 | A807-E809 PolarHBondContact O-N 3.02Š| ||
| 808 | E | 56.1 | Low | 58.6 | Low | 84 Ų | 84 | 114.7 Ų | 114.7 | 39% | 0.393 | 59% | 0.586 | S | S | . | * | trans | -53.3 | 108.1 | 160.6 | -65.5 | 173.9 | 129.6 | 0 | 0 | 108.2 | E806 Q810 R1255 A1259 R1262 | E806-E808 PolarHBondContact O-N 3.49Å; E808-Q810 PolarHBondContact O-N 3.5Å; E808-R1255 IonicContact OE2-CZ 2.81Å; E808-R1255 IonicContact OE2-NE 2.62Å; E808-R1255 PolarHBondContact OE2-NE 2.84Å; E808-R1255 IonicContact OE2-NH2 2.82Å; E808-R1255 PolarHBondContact OE2-NH2 2.92Å; E808-A1259 WeakPolarHBondContact OE1-CB 3.27Å; E808-R1262 IonicContact OE1-NH2 3.03Å | ||
| 809 | E | 42.2 | Very low | 56.1 | Low | 186 Ų | 186 | 114.6 Ų | 114.6 | 87% | 0.869 | 60% | 0.599 | S | S | * | * | trans | -61.3 | 129.8 | 156.3 | -64.6 | -163.3 | 154.8 | 0 | 0 | 106.7 | A807 E811 | A807-E809 PolarHBondContact O-N 3.02Å; E809-E811 PolarHBondContact O-N 2.87Å | ||
| 810 | Q | 38.5 | Very low | 53.5 | Low | 160 Ų | 160 | 115.2 Ų | 115.2 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | trans | -75.5 | 92.4 | -168.9 | -176.1 | 172.3 | -19.4 | 0 | 0 | 109.5 | E808 D812 | E808-Q810 PolarHBondContact O-N 3.5Å; Q810-D812 WeakPolarHBondContact CG-OD2 3.27Å; Q810-D812 PolarHBondContact NE2-OD2 3Å; Q810-D812 PolarHBondContact O-N 2.97Å | ||
| 811 | E | 36.4 | Very low | 50.9 | Low | 186 Ų | 186 | 116.7 Ų | 116.7 | 87% | 0.869 | 63% | 0.627 | S | S | * | * | trans | -74.5 | 51.6 | -178.9 | -157 | 176.8 | -145.7 | 0 | 0 | 112.7 | E809 G813 | E809-E811 PolarHBondContact O-N 2.87Å; E811-G813 PolarHBondContact O-N 3.43Å | ||
| 812 | D | 30.8 | Very low | 48.5 | Very low | 139 Ų | 139 | 120.9 Ų | 120.9 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | -69.7 | 57 | 153.5 | -78.1 | -58.3 | 0 | 0 | 0 | 108.6 | Q810 | Q810-D812 WeakPolarHBondContact CG-OD2 3.27Å; Q810-D812 PolarHBondContact NE2-OD2 3Å; Q810-D812 PolarHBondContact O-N 2.97Å | ||
| 813 | G | 31 | Very low | 45.7 | Very low | 48 Ų | 48 | 124.3 Ų | 124.3 | 50% | 0.495 | 69% | 0.692 | S | S | . | * | trans | -123.5 | 10.4 | -143.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | E811 | E811-G813 PolarHBondContact O-N 3.43Š| ||
| 814 | K | 31.4 | Very low | 43.2 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | 60.6 | 124.9 | 178 | -63.1 | 175.2 | 176.1 | 174.9 | 0 | 116.3 | S816 | K814-S816 PolarHBondContact O-N 3.11Š| ||
| 815 | E | 29 | Very low | 40.8 | Very low | 204 Ų | 204 | 131.9 Ų | 131.9 | 95% | 0.953 | 74% | 0.736 | S | S | * | * | trans | -52.1 | 123.6 | 154 | -63.2 | -175.3 | 137.3 | 0 | 0 | 110 | ||||
| 816 | S | 30.2 | Very low | 38.9 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -136.1 | 108.7 | 178.2 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | K814 | K814-S816 PolarHBondContact O-N 3.11Š| ||
| 817 | P | 34.4 | Very low | 37.4 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -71.1 | 147.5 | 178.2 | 29.4 | -33.8 | 0 | 0 | 0 | 111.1 | S819 | P817-S819 PolarHBondContact O-N 2.98Š| ||
| 818 | R | 30.1 | Very low | 36.4 | Very low | 246 Ų | 246 | 137.6 Ų | 137.6 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | -57.6 | 121.2 | -176 | -60 | 169.2 | 176.7 | 169.5 | -2.8 | 112.4 | ||||
| 819 | S | 32.5 | Very low | 35.8 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | 167.7 | 140.6 | 113.1 | 49.2 | 0 | 0 | 0 | 0 | 115.8 | P817 | P817-S819 PolarHBondContact O-N 2.98Š| |||
| 820 | L | 31.7 | Very low | 36 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | trans | 44.5 | 119.8 | 143.2 | -60.2 | 169.8 | 0 | 0 | 0 | 121.6 | ||||
| 821 | G | 35.9 | Very low | 36.2 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 131 | 119.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 822 | P | 41 | Very low | 36.3 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -92.3 | 131.5 | 176.3 | 34.1 | -31.2 | 0 | 0 | 0 | 112.7 | ||||
| 823 | G | 32.5 | Very low | 36.6 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -171.1 | 110.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 824 | L | 37.3 | Very low | 36.8 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | 65.3 | 141.7 | 158.5 | -59.1 | 171.5 | 0 | 0 | 0 | 119.6 | ||||
| 825 | P | 36.6 | Very low | 37 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 156 | 174.7 | 36.1 | -35.1 | 0 | 0 | 0 | 113 | ||
| 826 | P | 42.8 | Very low | 37.7 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 153.7 | -179.9 | 32.7 | -35.8 | 0 | 0 | 0 | 113.9 | ||
| 827 | P | 39.9 | Very low | 38 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 162.1 | 177.9 | 34.2 | -36.1 | 0 | 0 | 0 | 113.8 | ||
| 828 | P | 43.3 | Very low | 38.7 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 159.2 | -178.8 | 33.1 | -36.7 | 0 | 0 | 0 | 114.1 | ||
| 829 | P | 43.8 | Very low | 39.9 | Very low | 120 Ų | 120 | 121 Ų | 121 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 150.3 | -178.2 | 32.8 | -36 | 0 | 0 | 0 | 114 | ||
| 830 | P | 47.4 | Very low | 40.4 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 154.3 | 176.7 | 34.8 | -35.4 | 0 | 0 | 0 | 113.3 | ||
| 831 | P | 41.3 | Very low | 41.4 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -110.7 | 166.5 | -175.6 | 41.2 | -35.7 | 0 | 0 | 0 | 116.4 | ||||
| 832 | F | 39.3 | Very low | 41.8 | Very low | 212 Ų | 212 | 121.3 Ų | 121.3 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | 79.9 | 141.9 | 163.6 | -73.5 | -74.2 | 0 | 0 | 0 | 121.3 | ||||
| 833 | G | 38.1 | Very low | 41.9 | Very low | 80 Ų | 80 | 121 Ų | 121 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 104.5 | 113.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 834 | G | 35 | Very low | 42.2 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | cis | 147.1 | 78.7 | -1.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 835 | G | 35.4 | Very low | 42.2 | Very low | 78 Ų | 78 | 117.4 Ų | 117.4 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -166.5 | 155.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 836 | L | 42.8 | Very low | 42.1 | Very low | 173 Ų | 173 | 115.9 Ų | 115.9 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 159.9 | -174.2 | -78.3 | 168.9 | 0 | 0 | 0 | 112.9 | ||
| 837 | P | 36.7 | Very low | 41.6 | Very low | 109 Ų | 109 | 114.4 Ų | 114.4 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 151.3 | -168.6 | 31.2 | -36.8 | 0 | 0 | 0 | 114.2 | ||
| 838 | P | 48.8 | Very low | 41.4 | Very low | 122 Ų | 122 | 112.3 Ų | 112.3 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 140.4 | 177.2 | 31.9 | -34.3 | 0 | 0 | 0 | 113 | ||
| 839 | P | 54.8 | Low | 41 | Very low | 113 Ų | 113 | 115.2 Ų | 115.2 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 165.2 | 170.9 | 34.1 | -35.3 | 0 | 0 | 0 | 112.7 | ||
| 840 | P | 42.9 | Very low | 40.9 | Very low | 119 Ų | 119 | 114.9 Ų | 114.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 144.6 | -178.9 | 29.6 | -35.9 | 0 | 0 | 0 | 113.4 | ||
| 841 | P | 54.1 | Low | 40.6 | Very low | 125 Ų | 125 | 114.8 Ų | 114.8 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 131.9 | -174.5 | 33.7 | -34.1 | 0 | 0 | 0 | 114.6 | ||
| 842 | P | 43.6 | Very low | 40.7 | Very low | 120 Ų | 120 | 115.3 Ų | 115.3 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 165.7 | 159.6 | 34.1 | -32 | 0 | 0 | 0 | 112.1 | ||
| 843 | P | 43.1 | Very low | 40.9 | Very low | 135 Ų | 135 | 110.7 Ų | 110.7 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 160 | -157.1 | 37.7 | -36.9 | 0 | 0 | 0 | 116.2 | ||
| 844 | G | 38.2 | Very low | 41.1 | Very low | 79 Ų | 79 | 112.5 Ų | 112.5 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | 178.6 | 77.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 845 | G | 37.4 | Very low | 41.7 | Very low | 88 Ų | 88 | 114.2 Ų | 114.2 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | 67.4 | 139.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 846 | G | 35.8 | Very low | 41.9 | Very low | 83 Ų | 83 | 115.9 Ų | 115.9 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | 155 | 46.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 847 | G | 32.2 | Very low | 41.8 | Very low | 89 Ų | 89 | 114 Ų | 114 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | trans | 42.8 | 107.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 848 | G | 34.7 | Very low | 41.9 | Very low | 75 Ų | 75 | 115.1 Ų | 115.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -159.2 | 131.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 849 | L | 36.3 | Very low | 41.4 | Very low | 179 Ų | 179 | 113.7 Ų | 113.7 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 135 | -171.3 | -66.3 | 167.1 | 0 | 0 | 0 | 112.9 | ||
| 850 | P | 41.5 | Very low | 40.4 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 162.8 | 164.8 | 34 | -32.7 | 0 | 0 | 0 | 112.8 | ||
| 851 | P | 40.9 | Very low | 40 | Very low | 122 Ų | 122 | 117 Ų | 117 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 166.5 | -168.4 | 31.4 | -36.9 | 0 | 0 | 0 | 115.8 | ||
| 852 | P | 42.2 | Very low | 39 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 153.6 | -164.7 | 35 | -37.1 | 0 | 0 | 0 | 116.1 | ||
| 853 | P | 44.5 | Very low | 38.4 | Very low | 115 Ų | 115 | 113.3 Ų | 113.3 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -85 | 165 | 168.7 | 35.9 | -35.2 | 0 | 0 | 0 | 113.2 | ||
| 854 | P | 42.7 | Very low | 38.6 | Very low | 119 Ų | 119 | 112.4 Ų | 112.4 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 159.8 | -179 | 29.6 | -36.1 | 0 | 0 | 0 | 114.5 | ||
| 855 | P | 45.9 | Very low | 38.6 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 146.7 | -167 | 33.4 | -36.5 | 0 | 0 | 0 | 115 | ||
| 856 | P | 40 | Very low | 38.6 | Very low | 114 Ų | 114 | 115.2 Ų | 115.2 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 152.3 | 171.9 | 36.3 | -33.7 | 0 | 0 | 0 | 113.3 | ||
| 857 | P | 41.6 | Very low | 38.6 | Very low | 133 Ų | 133 | 117 Ų | 117 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 155.6 | 166.7 | 32.1 | -34.2 | 0 | 0 | 0 | 112 | ||
| 858 | T | 39.3 | Very low | 39.4 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 136.5 | -166.5 | 46.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 859 | A | 37.1 | Very low | 39.4 | Very low | 92 Ų | 92 | 120.8 Ų | 120.8 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | 59.8 | 127.2 | 154 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 860 | L | 33.9 | Very low | 39.1 | Very low | 158 Ų | 158 | 116.8 Ų | 116.8 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | -156.4 | 140.3 | 52.2 | -91.5 | 158.3 | 0 | 0 | 0 | 112.5 | |||||
| 861 | V | 35.3 | Very low | 39.1 | Very low | 143 Ų | 143 | 117.8 Ų | 117.8 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | 52.3 | 123.2 | 157.9 | -166 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 862 | G | 32.5 | Very low | 38.4 | Very low | 68 Ų | 68 | 115.3 Ų | 115.3 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | -177.7 | 153.7 | -1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 863 | A | 32.2 | Very low | 37.9 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -32.1 | 142.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 864 | P | 46.3 | Very low | 37.1 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | -108.8 | -164.5 | 116.9 | 39.7 | -35.8 | 0 | 0 | 0 | 109.9 | |||||
| 865 | P | 38.4 | Very low | 36.4 | Very low | 114 Ų | 114 | 116.1 Ų | 116.1 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | cis | -127.5 | -136.1 | -4.2 | 43.7 | -23.4 | 0 | 0 | 0 | 110.3 | ||||
| 866 | P | 36.5 | Very low | 35.5 | Very low | 112 Ų | 112 | 115.6 Ų | 115.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -124.9 | -173.7 | -30.8 | 37.4 | -18.9 | 0 | 0 | 0 | 113.7 | ||||
| 867 | P | 36.9 | Very low | 34.8 | Very low | 119 Ų | 119 | 115.9 Ų | 115.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -109.9 | -153.8 | -175.7 | 47 | -37.5 | 0 | 0 | 0 | 113.5 | ||||
| 868 | P | 49.6 | Very low | 34.3 | Very low | 115 Ų | 115 | 114 Ų | 114 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | -130.6 | -176.8 | -114.7 | 39 | -17.5 | 0 | 0 | 0 | 116.5 | |||||
| 869 | P | 32.9 | Very low | 33.8 | Very low | 130 Ų | 130 | 115.4 Ų | 115.4 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | trans | -124.9 | 172.5 | 158.2 | 38.5 | -26.5 | 0 | 0 | 0 | 114.5 | ||||
| 870 | A | 30.8 | Very low | 33.8 | Very low | 95 Ų | 95 | 116.2 Ų | 116.2 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -152.9 | -165.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 871 | P | 41.1 | Very low | 33.4 | Very low | 133 Ų | 133 | 113.6 Ų | 113.6 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | -120.4 | -171.4 | -55.1 | 36.1 | -21.4 | 0 | 0 | 0 | 111.8 | |||||
| 872 | G | 27.8 | Very low | 33 | Very low | 71 Ų | 71 | 114.4 Ų | 114.4 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -174.1 | 138.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 873 | A | 31.1 | Very low | 32.9 | Very low | 100 Ų | 100 | 119.5 Ų | 119.5 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | 61.7 | 147.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 874 | S | 27.6 | Very low | 32.8 | Very low | 96 Ų | 96 | 120 Ų | 120 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | cis | -171.4 | 162.1 | -34.7 | 44 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 875 | E | 27.9 | Very low | 32.1 | Very low | 174 Ų | 174 | 120.5 Ų | 120.5 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 69.1 | 120.4 | 167.9 | -68.9 | 172.8 | -140.2 | 0 | 0 | 116.4 | ||||
| 876 | S | 26.7 | Very low | 31.7 | Very low | 112 Ų | 112 | 119.6 Ų | 119.6 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | 93.9 | 135.3 | 66 | -71.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 877 | S | 26.3 | Very low | 31.5 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | cis | -166.8 | -165.7 | -9.1 | -165.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 878 | A | 29.9 | Very low | 31.2 | Very low | 94 Ų | 94 | 117.8 Ų | 117.8 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | 85.1 | 154.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 879 | I | 28.5 | Very low | 30.2 | Very low | 162 Ų | 162 | 119.6 Ų | 119.6 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -145.1 | 167.5 | -157.9 | -70.1 | 163.7 | 0 | 0 | 0 | 106.5 | ||||
| 880 | P | 36.9 | Very low | 30.1 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -125.9 | 179.7 | -12.8 | 28.2 | -7 | 0 | 0 | 0 | 114.9 | ||||
| 881 | S | 26.4 | Very low | 30.4 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | 153.5 | 116 | 115.7 | -67.6 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 882 | N | 27 | Very low | 30.4 | Very low | 161 Ų | 161 | 121.4 Ų | 121.4 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | 17.8 | 124 | 146.1 | -56.4 | -19.6 | 0 | 0 | 0 | 122.2 | ||||
| 883 | L | 29.6 | Very low | 31 | Very low | 175 Ų | 175 | 125.5 Ų | 125.5 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | -148.1 | 153.4 | 140.3 | -98.1 | 157.6 | 0 | 0 | 0 | 108.5 | ||||
| 884 | P | 31.1 | Very low | 31.9 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 161.6 | -161.5 | 37.2 | -37 | 0 | 0 | 0 | 115.5 | ||
| 885 | P | 30.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -80 | 160.2 | 166.5 | 34.3 | -34.1 | 0 | 0 | 0 | 112.9 | ||
| 886 | A | 31.1 | Very low | 34.8 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 162.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 887 | P | 31.6 | Very low | 36.4 | Very low | 133 Ų | 133 | 123.6 Ų | 123.6 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 150.6 | -164.3 | 34.4 | -36.2 | 0 | 0 | 0 | 115.2 | ||
| 888 | G | 30 | Very low | 38 | Very low | 59 Ų | 59 | 122.2 Ų | 122.2 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -175.5 | 117.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 889 | T | 30.1 | Very low | 39.7 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 94% | 0.939 | 71% | 0.714 | S | S | * | * | trans | 50.3 | 65.4 | -178.9 | 44 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 890 | E | 30 | Very low | 41.1 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | trans | -101.2 | 111.8 | 157.7 | -71.7 | -116.1 | 105.2 | 0 | 0 | 109.5 | K893 | E890-K893 IonicContact OE1-NZ 2.72Å; E890-K893 PolarHBondContact OE1-NZ 3.39Å | ||
| 891 | L | 37.9 | Very low | 42.2 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | trans | -66.4 | 148 | 155.8 | -79.3 | 164 | 0 | 0 | 0 | 108.9 | K893 | L891-K893 VanDerWaalsContact C-N 3.34Å; L891-K893 PolarHBondContact O-N 2.83Å | ||
| 892 | P | 40.9 | Very low | 43.6 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | trans | -70.7 | 87.2 | -178.5 | 29.9 | -35.2 | 0 | 0 | 0 | 111 | S894 | P892-S894 PolarHBondContact O-N 2.81Š| ||
| 893 | K | 39.3 | Very low | 45.3 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | trans | -62.9 | 101.7 | 179.6 | -67.8 | 154.9 | -172 | 168.8 | 0 | 110.3 | E890 L891 | E890-K893 IonicContact OE1-NZ 2.72Å; E890-K893 PolarHBondContact OE1-NZ 3.39Å; L891-K893 VanDerWaalsContact C-N 3.34Å; L891-K893 PolarHBondContact O-N 2.83Å | ||
| 894 | S | 51 | Low | 47.1 | Very low | 43 Ų | 43 | 131.2 Ų | 131.2 | 30% | 0.301 | 70% | 0.699 | S | S | . | * | trans | -62.8 | 156.2 | 168 | 97.8 | 0 | 0 | 0 | 0 | 109.7 | P892 K896 E976 | P892-S894 PolarHBondContact O-N 2.81Å; S894-K896 PolarHBondContact O-N 2.89Å; S894-K896 PolarHBondContact OG-N 3.27Å; S894-E976 WeakPolarHBondContact CB-OE1 3.49Å; S894-E976 PolarHBondContact OG-OE1 3.16Å | ||
| 895 | K | 55.8 | Low | 48.5 | Very low | 220 Ų | 220 | 133.3 Ų | 133.3 | 96% | 0.957 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -81.3 | 12.4 | -179.6 | -65.3 | 179.2 | 179.7 | 174.3 | 0 | 113 | ||
| 896 | K | 59.4 | Low | 50.1 | Low | 121 Ų | 121 | 133.7 Ų | 133.7 | 53% | 0.526 | 68% | 0.682 | S | S | . | * | trans | -110.3 | -26.2 | -169.4 | -71.8 | 177.8 | 149.5 | -156.1 | 0 | 115 | S894 E980 N981 | S894-K896 PolarHBondContact O-N 2.89Å; S894-K896 PolarHBondContact OG-N 3.27Å; K896-E980 HydrophobicContact CB-CG 4.45Å; K896-E980 WeakPolarHBondContact CD-OE1 3.44Å; K896-E980 WeakPolarHBondContact CE-OE1 3.33Å; K896-E980 IonicContact NZ-OE1 2.67Å; K896-E980 PolarHBondContact NZ-OE1 3Å; K896-N981 WeakPolarHBondContact O-CB 3.31Å; K896-N981 PolarHBondContact O-N 2.84Å | ||
| 897 | T | 60.2 | Low | 51.7 | Low | 58 Ų | 58 | 131.6 Ų | 131.6 | 36% | 0.356 | 66% | 0.66 | S | S | . | * | B | Isolated β-bridge | trans | -72.7 | 147.2 | -174.8 | -20.5 | 0 | 0 | 0 | 0 | 111.9 | R899 E976 F979 | T897-R899 PolarHBondContact O-N 3.13Å; T897-E976 PolarHBondContact OG1-OE1 2.82Å; T897-F979 WeakPolarHBondContact CA-O 3.44Å; T897-F979 HydrophobicContact CG2-CB 4.08Å |
| 898 | I | 60.8 | Low | 53.6 | Low | 91 Ų | 91 | 128.7 Ų | 128.7 | 47% | 0.467 | 64% | 0.64 | S | S | . | * | trans | -61.3 | 122.4 | 177.7 | -66 | 171.1 | 0 | 0 | 0 | 110.8 | L900 F979 N981 | I898-L900 PolarHBondContact O-N 2.81Å; I898-F979 PolarHBondContact N-O 2.75Å; I898-F979 VanDerWaalsContact N-O 3.09Å; I898-N981 HydrophobicContact CG1-CB 4.32Å | ||
| 899 | R | 64.9 | Low | 55.6 | Low | 213 Ų | 213 | 130.1 Ų | 130.1 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | trans | -87.3 | 111.3 | -178.3 | -169.6 | 173.4 | -173.4 | 157.4 | 1.7 | 111.1 | T897 H901 | T897-R899 PolarHBondContact O-N 3.13Å; R899-H901 PolarHBondContact O-CD2 2.78Å | ||
| 900 | L | 57.4 | Low | 57.4 | Low | 110 Ų | 110 | 130.9 Ų | 130.9 | 58% | 0.576 | 64% | 0.636 | S | S | * | * | trans | -73.2 | 129.3 | 176.3 | -64.5 | 171.2 | 0 | 0 | 0 | 111 | I898 W902 | I898-L900 PolarHBondContact O-N 2.81Å; L900-W902 HydrophobicContact CB-CD2 4.35Å; L900-W902 HydrophobicContact CB-CZ2 3.89Å; L900-W902 HydrophobicContact CD1-CH2 4.02Å; L900-W902 HydrophobicContact CD1-CZ2 3.42Å; L900-W902 VanDerWaalsContact CD1-CZ2 3.42Å; L900-W902 HydrophobicContact CG-CZ2 4.28Å; L900-W902 PolarHBondContact O-N 3.26Å | ||
| 901 | H | 61.7 | Low | 59.1 | Low | 180 Ų | 180 | 126.8 Ų | 126.8 | 83% | 0.833 | 62% | 0.619 | S | S | * | * | trans | -92.5 | 46.5 | -169.5 | -82.1 | -95.8 | 0 | 0 | 0 | 113.6 | R899 | R899-H901 PolarHBondContact O-CD2 2.78Š| ||
| 902 | W | 55.3 | Low | 60.6 | Low | 209 Ų | 209 | 122 Ų | 122 | 79% | 0.792 | 59% | 0.594 | S | S | * | * | trans | -65.1 | 137.6 | 171.6 | -13.3 | 77.6 | 0 | 0 | 0 | 111 | L900 E904 | L900-W902 HydrophobicContact CB-CD2 4.35Å; L900-W902 HydrophobicContact CB-CZ2 3.89Å; L900-W902 HydrophobicContact CD1-CH2 4.02Å; L900-W902 HydrophobicContact CD1-CZ2 3.42Å; L900-W902 VanDerWaalsContact CD1-CZ2 3.42Å; L900-W902 HydrophobicContact CG-CZ2 4.28Å; L900-W902 PolarHBondContact O-N 3.26Å; W902-E904 PolarHBondContact O-N 3.45Å | ||
| 903 | T | 62 | Low | 61.7 | Low | 139 Ų | 139 | 123.5 Ų | 123.5 | 85% | 0.853 | 59% | 0.588 | S | S | * | * | trans | -73.3 | 116.9 | 161.6 | 46 | 0 | 0 | 0 | 0 | 109.3 | W905 | T903-W905 PolarHBondContact O-N 2.93Å; T903-W905 VanDerWaalsContact O-N 3.17Å | ||
| 904 | E | 68 | Low | 62.8 | Low | 141 Ų | 141 | 122.4 Ų | 122.4 | 66% | 0.659 | 59% | 0.587 | S | S | * | * | trans | -56 | 115.7 | 175.9 | -172.8 | -169 | 157.5 | 0 | 0 | 110.7 | W902 K906 | W902-E904 PolarHBondContact O-N 3.45Å; E904-K906 VanDerWaalsContact CD-CE 3.48Å; E904-K906 HydrophobicContact CG-CG 4.47Å; E904-K906 PolarHBondContact O-N 3.08Å; E904-K906 WeakPolarHBondContact OE1-CE 3.49Å; E904-K906 IonicContact OE1-NZ 2.8Å; E904-K906 PolarHBondContact OE1-NZ 2.93Å; E904-K906 IonicContact OE2-NZ 3.68Å; E904-K906 PolarHBondContact OE2-NZ 2.99Å | ||
| 905 | W | 59.4 | Low | 63.3 | Low | 154 Ų | 154 | 123.1 Ų | 123.1 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | trans | -69.2 | 104.4 | 180 | -178.2 | 76.5 | 0 | 0 | 0 | 110.4 | T903 P907 I915 | T903-W905 PolarHBondContact O-N 2.93Å; T903-W905 VanDerWaalsContact O-N 3.17Å; W905-P907 HydrophobicContact CE3-CG 4.31Å; W905-P907 HydrophobicContact CH2-CB 3.62Å; W905-P907 HydrophobicContact CH2-CG 3.96Å; W905-P907 HydrophobicContact CZ2-CB 3.75Å; W905-P907 HydrophobicContact CZ2-CG 4.47Å; W905-P907 HydrophobicContact CZ3-CB 4.02Å; W905-P907 HydrophobicContact CZ3-CG 3.85Å; W905-I915 HydrophobicContact CH2-CD1 4.47Å | ||
| 906 | K | 66 | Low | 63.5 | Low | 136 Ų | 136 | 115.2 Ų | 115.2 | 59% | 0.591 | 56% | 0.563 | S | S | * | * | trans | -105 | 103.3 | 174.5 | -77.7 | 177.3 | 164.9 | 125.2 | 0 | 108.5 | E904 T908 | E904-K906 VanDerWaalsContact CD-CE 3.48Å; E904-K906 HydrophobicContact CG-CG 4.47Å; E904-K906 PolarHBondContact O-N 3.08Å; E904-K906 WeakPolarHBondContact OE1-CE 3.49Å; E904-K906 IonicContact OE1-NZ 2.8Å; E904-K906 PolarHBondContact OE1-NZ 2.93Å; E904-K906 IonicContact OE2-NZ 3.68Å; E904-K906 PolarHBondContact OE2-NZ 2.99Å; K906-T908 PolarHBondContact O-N 3.47Å | ||
| 907 | P | 63 | Low | 63.4 | Low | 50 Ų | 50 | 113.2 Ų | 113.2 | 33% | 0.325 | 56% | 0.564 | S | S | . | * | trans | -62.5 | 121.4 | -179.1 | 24.2 | -32.3 | 0 | 0 | 0 | 109.9 | W905 D911 L912 | W905-P907 HydrophobicContact CE3-CG 4.31Å; W905-P907 HydrophobicContact CH2-CB 3.62Å; W905-P907 HydrophobicContact CH2-CG 3.96Å; W905-P907 HydrophobicContact CZ2-CB 3.75Å; W905-P907 HydrophobicContact CZ2-CG 4.47Å; W905-P907 HydrophobicContact CZ3-CB 4.02Å; W905-P907 HydrophobicContact CZ3-CG 3.85Å; P907-D911 HydrophobicContact CB-CB 4.47Å; P907-L912 HydrophobicContact CB-CD2 4.03Å; P907-L912 HydrophobicContact CB-CG 4.04Å; P907-L912 HydrophobicContact CG-CD2 4.21Å | ||
| 908 | T | 71.9 | Confident | 63 | Low | 73 Ų | 73 | 115.3 Ų | 115.3 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | trans | -73.9 | 166.1 | 177.6 | 73.8 | 0 | 0 | 0 | 0 | 110.6 | K906 K910 D911 L912 | K906-T908 PolarHBondContact O-N 3.47Å; T908-K910 PolarHBondContact O-N 2.73Å; T908-K910 VanDerWaalsContact O-N 3.1Å; T908-K910 PolarHBondContact OG1-N 2.93Å; T908-D911 WeakPolarHBondContact CA-OD2 3.29Å; T908-D911 VanDerWaalsContact CB-OD2 3.23Å; T908-D911 WeakPolarHBondContact CB-OD2 3.47Å; T908-D911 WeakPolarHBondContact CG2-OD2 3.41Å; T908-D911 PolarHBondContact N-OD2 3.19Å; T908-D911 PolarHBondContact O-N 2.98Å; T908-D911 PolarHBondContact OG1-N 3.42Å; T908-D911 PolarHBondContact OG1-OD2 3.17Å; T908-L912 WeakPolarHBondContact O-CG 3.41Å; T908-L912 PolarHBondContact O-N 3.34Å | ||
| 909 | A | 72.7 | Confident | 62.4 | Low | 88 Ų | 88 | 119 Ų | 119 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -14.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K913 | A909-K913 WeakPolarHBondContact O-CB 3.31Š|
| 910 | K | 67.6 | Low | 61 | Low | 169 Ų | 169 | 113.9 Ų | 113.9 | 74% | 0.735 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -45.3 | 168.5 | -75.7 | -172.8 | 175.9 | -177.3 | 0 | 111.4 | T908 K913 M914 | T908-K910 PolarHBondContact O-N 2.73Å; T908-K910 VanDerWaalsContact O-N 3.1Å; T908-K910 PolarHBondContact OG1-N 2.93Å; K910-K913 CarbonylContact O-C 3.57Å; K910-K913 WeakPolarHBondContact O-CA 3.47Å; K910-K913 WeakPolarHBondContact O-CB 3.46Å; K910-K913 PolarHBondContact O-N 2.7Å; K910-M914 PolarHBondContact O-N 3.16Å |
| 911 | D | 66.7 | Low | 60 | Low | 58 Ų | 58 | 114 Ų | 114 | 31% | 0.31 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.2 | -44.8 | -176.9 | -46.7 | -42.9 | 0 | 0 | 0 | 110.9 | P907 T908 K913 M914 I915 | P907-D911 HydrophobicContact CB-CB 4.47Å; T908-D911 WeakPolarHBondContact CA-OD2 3.29Å; T908-D911 VanDerWaalsContact CB-OD2 3.23Å; T908-D911 WeakPolarHBondContact CB-OD2 3.47Å; T908-D911 WeakPolarHBondContact CG2-OD2 3.41Å; T908-D911 PolarHBondContact N-OD2 3.19Å; T908-D911 PolarHBondContact O-N 2.98Å; T908-D911 PolarHBondContact OG1-N 3.42Å; T908-D911 PolarHBondContact OG1-OD2 3.17Å; D911-K913 PolarHBondContact O-N 3.41Å; D911-M914 PolarHBondContact O-N 2.93Å; D911-I915 WeakPolarHBondContact O-CB 3.5Å; D911-I915 WeakPolarHBondContact O-CD1 3.43Å; D911-I915 VanDerWaalsContact O-CG1 3.24Å; D911-I915 WeakPolarHBondContact O-CG1 3.49Å; D911-I915 PolarHBondContact O-N 3.29Å |
| 912 | L | 68 | Low | 58.6 | Low | 32 Ų | 32 | 111.1 Ų | 111.1 | 17% | 0.168 | 60% | 0.596 | C | S | . | * | H | α-helix | trans | -58.1 | -32.3 | 172.8 | -67.7 | 168.4 | 0 | 0 | 0 | 112.4 | P907 T908 A916 V953 I956 | P907-L912 HydrophobicContact CB-CD2 4.03Å; P907-L912 HydrophobicContact CB-CG 4.04Å; P907-L912 HydrophobicContact CG-CD2 4.21Å; T908-L912 WeakPolarHBondContact O-CG 3.41Å; T908-L912 PolarHBondContact O-N 3.34Å; L912-A916 VanDerWaalsContact O-CB 3.31Å; L912-A916 WeakPolarHBondContact O-CB 3.45Å; L912-A916 PolarHBondContact O-N 2.88Å; L912-V953 HydrophobicContact CD1-CG1 3.92Å; L912-V953 HydrophobicContact CD1-CG2 4.09Å; L912-V953 HydrophobicContact CD2-CG1 4.28Å; L912-I956 HydrophobicContact CD2-CG2 4.12Å |
| 913 | K | 65 | Low | 57.6 | Low | 152 Ų | 152 | 106.6 Ų | 106.6 | 66% | 0.661 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -79.2 | -38.5 | 179.1 | -160.5 | 174.7 | -174.8 | -176.5 | 0 | 111.9 | A909 K910 D911 A916 S917 | A909-K913 WeakPolarHBondContact O-CB 3.31Å; K910-K913 CarbonylContact O-C 3.57Å; K910-K913 WeakPolarHBondContact O-CA 3.47Å; K910-K913 WeakPolarHBondContact O-CB 3.46Å; K910-K913 PolarHBondContact O-N 2.7Å; D911-K913 PolarHBondContact O-N 3.41Å; K913-A916 PolarHBondContact O-N 3.17Å; K913-S917 WeakPolarHBondContact O-CB 3.24Å; K913-S917 PolarHBondContact O-N 3.45Å; K913-S917 PolarHBondContact O-OG 3.19Å |
| 914 | M | 61.8 | Low | 56.4 | Low | 133 Ų | 133 | 105.7 Ų | 105.7 | 66% | 0.655 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.3 | -49.7 | 169.9 | -75.1 | -77 | -71.4 | 0 | 0 | 111.2 | K910 D911 A916 S917 T918 | K910-M914 PolarHBondContact O-N 3.16Å; D911-M914 PolarHBondContact O-N 2.93Å; M914-A916 VanDerWaalsContact C-N 3.3Å; M914-A916 PolarHBondContact O-N 3.07Å; M914-S917 PolarHBondContact O-N 3.36Å; M914-S917 VanDerWaalsContact O-N 3.08Å; M914-T918 PolarHBondContact O-N 3.48Å; M914-T918 VanDerWaalsContact O-N 3.1Å |
| 915 | I | 60.4 | Low | 54.9 | Low | 59 Ų | 59 | 106.3 Ų | 106.3 | 30% | 0.303 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.9 | -30.5 | -179.1 | -63.1 | 162.5 | 0 | 0 | 0 | 111.7 | W905 D911 T918 I956 | W905-I915 HydrophobicContact CH2-CD1 4.47Å; D911-I915 WeakPolarHBondContact O-CB 3.5Å; D911-I915 WeakPolarHBondContact O-CD1 3.43Å; D911-I915 VanDerWaalsContact O-CG1 3.24Å; D911-I915 WeakPolarHBondContact O-CG1 3.49Å; D911-I915 PolarHBondContact O-N 3.29Å; I915-T918 PolarHBondContact O-OG1 2.95Å; I915-I956 HydrophobicContact CB-CG2 4.38Å; I915-I956 HydrophobicContact CG2-CG2 3.68Å |
| 916 | A | 60.5 | Low | 53.8 | Low | 54 Ų | 54 | 107.8 Ų | 107.8 | 45% | 0.446 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.6 | -37.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | L912 K913 M914 I956 | L912-A916 VanDerWaalsContact O-CB 3.31Å; L912-A916 WeakPolarHBondContact O-CB 3.45Å; L912-A916 PolarHBondContact O-N 2.88Å; K913-A916 PolarHBondContact O-N 3.17Å; M914-A916 VanDerWaalsContact C-N 3.3Å; M914-A916 PolarHBondContact O-N 3.07Å; A916-I956 HydrophobicContact CB-CD1 4.03Å |
| 917 | S | 57.4 | Low | 52.9 | Low | 78 Ų | 78 | 106.1 Ų | 106.1 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.7 | -27.5 | -178.6 | -72.2 | 0 | 0 | 0 | 0 | 114.3 | K913 M914 K919 S920 | K913-S917 WeakPolarHBondContact O-CB 3.24Å; K913-S917 PolarHBondContact O-N 3.45Å; K913-S917 PolarHBondContact O-OG 3.19Å; M914-S917 PolarHBondContact O-N 3.36Å; M914-S917 VanDerWaalsContact O-N 3.08Å; S917-K919 PolarHBondContact O-N 2.97Å; S917-S920 PolarHBondContact O-OG 2.82Å |
| 918 | T | 52.7 | Low | 51.5 | Low | 103 Ų | 103 | 109.6 Ų | 109.6 | 63% | 0.632 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -4.6 | 177.9 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | M914 I915 | M914-T918 PolarHBondContact O-N 3.48Å; M914-T918 VanDerWaalsContact O-N 3.1Å; I915-T918 PolarHBondContact O-OG1 2.95Å |
| 919 | K | 47.4 | Very low | 49.8 | Very low | 169 Ų | 169 | 114.4 Ų | 114.4 | 74% | 0.735 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 23.2 | 179.9 | -107.5 | -180 | 178.4 | 178.1 | 0 | 115.1 | S917 | S917-K919 PolarHBondContact O-N 2.97Š|
| 920 | S | 36.7 | Very low | 48 | Very low | 105 Ų | 105 | 114.3 Ų | 114.3 | 73% | 0.734 | 64% | 0.642 | S | S | * | * | trans | -124.7 | 54.7 | -178.8 | 60.3 | 0 | 0 | 0 | 0 | 114.1 | S917 | S917-S920 PolarHBondContact O-OG 2.82Š| ||
| 921 | S | 34.9 | Very low | 46.4 | Very low | 112 Ų | 112 | 113 Ų | 113 | 78% | 0.783 | 65% | 0.648 | S | S | * | * | trans | -142.4 | 36.9 | 175.6 | 64.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 922 | S | 33.4 | Very low | 44.7 | Very low | 119 Ų | 119 | 113.8 Ų | 113.8 | 83% | 0.832 | 67% | 0.67 | S | S | * | * | trans | -151.5 | 92 | 164.9 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 923 | S | 34.4 | Very low | 43.1 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | -97.9 | 129.7 | 152.9 | -169.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 924 | V | 36.3 | Very low | 41.6 | Very low | 120 Ų | 120 | 116.6 Ų | 116.6 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | -172 | 148.3 | 84 | 156.2 | 0 | 0 | 0 | 0 | 104.3 | |||||
| 925 | D | 35.6 | Very low | 40.2 | Very low | 153 Ų | 153 | 114.8 Ų | 114.8 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | cis | -142.2 | -163.7 | 37.2 | -140.2 | -38.1 | 0 | 0 | 0 | 115.5 | ||||
| 926 | K | 36.3 | Very low | 39 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -136.1 | -167.2 | -152.1 | -127.3 | -170.1 | 179 | 178.7 | 0 | 114.4 | ||||
| 927 | P | 46.9 | Very low | 37.6 | Very low | 101 Ų | 101 | 128 Ų | 128 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | -133 | -143.3 | -123.8 | 47.2 | -26.8 | 0 | 0 | 0 | 115.3 | |||||
| 928 | D | 35 | Very low | 36.5 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | trans | 95.4 | 147.4 | 173.4 | -77.2 | 3.5 | 0 | 0 | 0 | 116.5 | ||||
| 929 | K | 36.7 | Very low | 35.4 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | cis | -158.6 | 166.2 | 11.4 | -132.4 | 173.1 | -159.3 | 84.9 | 0 | 113.4 | ||||
| 930 | A | 33.7 | Very low | 34.6 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 72.1 | 149.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 931 | T | 34.7 | Very low | 34.2 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | cis | -164.2 | 148.3 | -9 | 14.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 932 | G | 31.7 | Very low | 34 | Very low | 74 Ų | 74 | 128.4 Ų | 128.4 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | 85 | 154.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 933 | I | 34.4 | Very low | 33.9 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | cis | -148.8 | 143.2 | 0.1 | -64.7 | 179.6 | 0 | 0 | 0 | 110.2 | ||||
| 934 | G | 33.6 | Very low | 33.7 | Very low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 84.7 | 125.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 935 | S | 32.1 | Very low | 33.5 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | cis | 76.9 | 126.3 | 36.4 | -170.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 936 | R | 34.5 | Very low | 33.7 | Very low | 203 Ų | 203 | 130.7 Ų | 130.7 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | cis | -168.8 | 161.1 | -8.2 | -118.4 | -178.5 | -72.3 | -176.3 | -3.7 | 109.5 | ||||
| 937 | F | 31.5 | Very low | 33.9 | Very low | 188 Ų | 188 | 128.2 Ų | 128.2 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | 63.5 | 157.6 | 167.1 | -68.4 | -67.8 | 0 | 0 | 0 | 117 | ||||
| 938 | T | 34.5 | Very low | 33.4 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | cis | -126 | 164.6 | 1.5 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 939 | S | 29.4 | Very low | 33.9 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -46 | 162.9 | 151.4 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 940 | A | 30 | Very low | 34.2 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | cis | -164.5 | -174 | 5.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 941 | L | 28.4 | Very low | 34.6 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 89% | 0.885 | 73% | 0.729 | S | S | * | * | trans | 91.1 | 113.1 | 153.4 | -128 | 73.5 | 0 | 0 | 0 | 119.7 | ||||
| 942 | S | 31.1 | Very low | 35.3 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 78.9 | 133.1 | 151.2 | -145.7 | 0 | 0 | 0 | 0 | 121.1 | ||
| 943 | N | 31.9 | Very low | 36.3 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | trans | 56.7 | 56.4 | 153.9 | -65 | -13.8 | 0 | 0 | 0 | 120.5 | ||||
| 944 | N | 29.2 | Very low | 37.2 | Very low | 112 Ų | 112 | 129 Ų | 129 | 60% | 0.599 | 68% | 0.683 | S | S | * | * | trans | -148.2 | 94.3 | 153.4 | -79.5 | -76.1 | 0 | 0 | 0 | 113.3 | K947 | N944-K947 WeakPolarHBondContact OD1-CD 3.01Å; N944-K947 WeakPolarHBondContact OD1-CE 3.33Å; N944-K947 PolarHBondContact OD1-NZ 3.42Å | ||
| 945 | K | 32.4 | Very low | 38.2 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 78% | 0.783 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -139.7 | 27.1 | 154.1 | -156.7 | 159.9 | -175.1 | 172.5 | 0 | 113.9 | ||
| 946 | T | 40.1 | Very low | 39.2 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 73% | 0.73 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -113.8 | 15 | 178.3 | 45.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 947 | K | 39.3 | Very low | 40.1 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 58% | 0.578 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -112.6 | -7.2 | -176.6 | -77.5 | -177.8 | -177 | 153 | 0 | 116 | N944 R951 | N944-K947 WeakPolarHBondContact OD1-CD 3.01Å; N944-K947 WeakPolarHBondContact OD1-CE 3.33Å; N944-K947 PolarHBondContact OD1-NZ 3.42Å; K947-R951 PolarHBondContact O-NH1 2.91Å |
| 948 | E | 38.3 | Very low | 41.3 | Very low | 123 Ų | 123 | 117.2 Ų | 117.2 | 58% | 0.575 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -83.9 | -48.9 | 177.8 | -70.1 | 178.2 | 123.9 | 0 | 0 | 111.7 | K950 R951 | E948-K950 PolarHBondContact O-N 3.08Å; E948-R951 PolarHBondContact O-N 2.8Å |
| 949 | V | 43.5 | Very low | 42.8 | Very low | 107 Ų | 107 | 113.6 Ų | 113.6 | 65% | 0.648 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -54.9 | -22.9 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 113.5 | R951 V953 | V949-R951 VanDerWaalsContact C-N 3.3Å; V949-R951 PolarHBondContact O-N 3.31Å; V949-V953 WeakPolarHBondContact O-CG2 3.42Å |
| 950 | K | 44.1 | Very low | 44.5 | Very low | 175 Ų | 175 | 110.1 Ų | 110.1 | 76% | 0.761 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -76 | -7.2 | 174.6 | -89.2 | -170.3 | 172.5 | -176 | 0 | 115 | E948 | E948-K950 PolarHBondContact O-N 3.08Å |
| 951 | R | 43 | Very low | 46.5 | Very low | 170 Ų | 170 | 110.6 Ų | 110.6 | 64% | 0.642 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -90.4 | -48.2 | 173.3 | -66.9 | -169.5 | 175.5 | 93.7 | -7.5 | 111.4 | K947 E948 V949 V953 K954 T955 | K947-R951 PolarHBondContact O-NH1 2.91Å; E948-R951 PolarHBondContact O-N 2.8Å; V949-R951 VanDerWaalsContact C-N 3.3Å; V949-R951 PolarHBondContact O-N 3.31Å; R951-V953 VanDerWaalsContact C-N 3.3Å; R951-V953 PolarHBondContact O-N 3.43Å; R951-K954 WeakPolarHBondContact O-CA 3.49Å; R951-K954 WeakPolarHBondContact O-CB 3.32Å; R951-K954 PolarHBondContact O-N 2.85Å; R951-T955 PolarHBondContact O-N 3.4Å; R951-T955 PolarHBondContact O-OG1 2.93Å |
| 952 | D | 49.3 | Very low | 48.5 | Very low | 93 Ų | 93 | 111.1 Ų | 111.1 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.1 | -34.7 | -175 | -52.4 | -45.8 | 0 | 0 | 0 | 113.1 | K954 T955 I956 | D952-K954 PolarHBondContact O-N 3.41Å; D952-T955 WeakPolarHBondContact O-CB 3.39Å; D952-T955 PolarHBondContact O-N 2.77Å; D952-I956 WeakPolarHBondContact O-CG1 3.43Å; D952-I956 PolarHBondContact O-N 3.3Å |
| 953 | V | 51.3 | Low | 50.3 | Low | 58 Ų | 58 | 109.2 Ų | 109.2 | 35% | 0.352 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.6 | -31.1 | 173.5 | 175.9 | 0 | 0 | 0 | 0 | 112 | L912 V949 R951 A957 | L912-V953 HydrophobicContact CD1-CG1 3.92Å; L912-V953 HydrophobicContact CD1-CG2 4.09Å; L912-V953 HydrophobicContact CD2-CG1 4.28Å; V949-V953 WeakPolarHBondContact O-CG2 3.42Å; R951-V953 VanDerWaalsContact C-N 3.3Å; R951-V953 PolarHBondContact O-N 3.43Å; V953-A957 WeakPolarHBondContact O-CB 3.36Å; V953-A957 PolarHBondContact O-N 2.83Å |
| 954 | K | 53.3 | Low | 52 | Low | 165 Ų | 165 | 109.4 Ų | 109.4 | 72% | 0.717 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -77 | -30.9 | 175.6 | -124.7 | -172.9 | -179.3 | -167.2 | 0 | 112.4 | R951 D952 | R951-K954 WeakPolarHBondContact O-CA 3.49Å; R951-K954 WeakPolarHBondContact O-CB 3.32Å; R951-K954 PolarHBondContact O-N 2.85Å; D952-K954 PolarHBondContact O-N 3.41Å |
| 955 | T | 55.1 | Low | 54 | Low | 95 Ų | 95 | 108.6 Ų | 108.6 | 58% | 0.583 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -73 | -40.3 | 174 | -42.2 | 0 | 0 | 0 | 0 | 111.3 | R951 D952 N958 A959 | R951-T955 PolarHBondContact O-N 3.4Å; R951-T955 PolarHBondContact O-OG1 2.93Å; D952-T955 WeakPolarHBondContact O-CB 3.39Å; D952-T955 PolarHBondContact O-N 2.77Å; T955-N958 PolarHBondContact O-N 3.05Å; T955-A959 PolarHBondContact O-N 3.28Å |
| 956 | I | 52.7 | Low | 56 | Low | 30 Ų | 30 | 105.6 Ų | 105.6 | 15% | 0.154 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 178.4 | -67.7 | 165.3 | 0 | 0 | 0 | 111.3 | L912 I915 A916 D952 N958 A959 | L912-I956 HydrophobicContact CD2-CG2 4.12Å; I915-I956 HydrophobicContact CB-CG2 4.38Å; I915-I956 HydrophobicContact CG2-CG2 3.68Å; A916-I956 HydrophobicContact CB-CD1 4.03Å; D952-I956 WeakPolarHBondContact O-CG1 3.43Å; D952-I956 PolarHBondContact O-N 3.3Å; I956-N958 PolarHBondContact O-N 3.24Å; I956-A959 PolarHBondContact O-N 3.44Å |
| 957 | A | 54.6 | Low | 57 | Low | 58 Ų | 58 | 105.7 Ų | 105.7 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V953 S963 | V953-A957 WeakPolarHBondContact O-CB 3.36Å; V953-A957 PolarHBondContact O-N 2.83Å; A957-S963 PolarHBondContact O-OG 2.86Å |
| 958 | N | 56.6 | Low | 58.2 | Low | 125 Ų | 125 | 104.8 Ų | 104.8 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 5.9 | 176.7 | -69.7 | 13.1 | 0 | 0 | 0 | 113 | T955 I956 S963 | T955-N958 PolarHBondContact O-N 3.05Å; I956-N958 PolarHBondContact O-N 3.24Å; N958-S963 VanDerWaalsContact C-CB 3.48Å; N958-S963 WeakPolarHBondContact CA-OG 3.42Å; N958-S963 WeakPolarHBondContact O-CB 3.29Å |
| 959 | A | 64.6 | Low | 59.8 | Low | 45 Ų | 45 | 108.8 Ų | 108.8 | 37% | 0.372 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -125.6 | 43.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T955 I956 S963 | T955-A959 PolarHBondContact O-N 3.28Å; I956-A959 PolarHBondContact O-N 3.44Å; A959-S963 PolarHBondContact N-OG 2.71Å |
| 960 | T | 66.1 | Low | 61.1 | Low | 31 Ų | 31 | 109.5 Ų | 109.5 | 19% | 0.19 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -126.2 | 161.8 | 174.1 | 67.6 | 0 | 0 | 0 | 0 | 109.4 | W962 S963 | T960-W962 PolarHBondContact O-N 3.2Å; T960-W962 VanDerWaalsContact O-N 3.11Å; T960-S963 PolarHBondContact N-OG 3.23Å; T960-S963 VanDerWaalsContact N-OG 3.16Å; T960-S963 WeakPolarHBondContact O-CA 3.33Å; T960-S963 WeakPolarHBondContact O-CB 3.41Å; T960-S963 PolarHBondContact O-N 3.2Å; T960-S963 PolarHBondContact O-OG 3.11Å; T960-S963 VanDerWaalsContact O-OG 3.11Å; T960-S963 PolarHBondContact OG1-OG 3.33Å |
| 961 | V | 71.5 | Confident | 62.9 | Low | 97 Ų | 97 | 105.7 Ų | 105.7 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -54.3 | -35.1 | 175.7 | 69 | 0 | 0 | 0 | 0 | 112.1 | S963 E964 I965 | V961-S963 PolarHBondContact O-N 3.18Å; V961-E964 PolarHBondContact O-N 2.67Å; V961-I965 WeakPolarHBondContact O-CG1 3.24Å; V961-I965 PolarHBondContact O-N 3.48Å |
| 962 | W | 70.8 | Confident | 64.4 | Low | 181 Ų | 181 | 101.2 Ų | 101.2 | 69% | 0.686 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.1 | -22.9 | 175.4 | -48.4 | 110 | 0 | 0 | 0 | 114.2 | T960 I965 | T960-W962 PolarHBondContact O-N 3.2Å; T960-W962 VanDerWaalsContact O-N 3.11Å; W962-I965 HydrophobicContact CD2-CD1 4.48Å; W962-I965 HydrophobicContact CE3-CD1 3.56Å; W962-I965 HydrophobicContact CZ3-CD1 3.98Å |
| 963 | S | 68.6 | Low | 65.8 | Low | 51 Ų | 51 | 102.6 Ų | 102.6 | 36% | 0.357 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -81.4 | -17.9 | 177.3 | -40.6 | 0 | 0 | 0 | 0 | 112.5 | A957 N958 A959 T960 V961 | A957-S963 PolarHBondContact O-OG 2.86Å; N958-S963 VanDerWaalsContact C-CB 3.48Å; N958-S963 WeakPolarHBondContact CA-OG 3.42Å; N958-S963 WeakPolarHBondContact O-CB 3.29Å; A959-S963 PolarHBondContact N-OG 2.71Å; T960-S963 PolarHBondContact N-OG 3.23Å; T960-S963 VanDerWaalsContact N-OG 3.16Å; T960-S963 WeakPolarHBondContact O-CA 3.33Å; T960-S963 WeakPolarHBondContact O-CB 3.41Å; T960-S963 PolarHBondContact O-N 3.2Å; T960-S963 PolarHBondContact O-OG 3.11Å; T960-S963 VanDerWaalsContact O-OG 3.11Å; T960-S963 PolarHBondContact OG1-OG 3.33Å; V961-S963 PolarHBondContact O-N 3.18Å |
| 964 | E | 67.1 | Low | 67.2 | Low | 149 Ų | 149 | 105.5 Ų | 105.5 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -114.1 | -4.5 | -171.8 | -64.9 | 172.2 | -176.9 | 0 | 0 | 112.9 | V961 V966 | V961-E964 PolarHBondContact O-N 2.67Å; E964-V966 PolarHBondContact O-N 3.13Å |
| 965 | I | 71.2 | Confident | 68.2 | Low | 95 Ų | 95 | 100.4 Ų | 100.4 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | trans | -67.3 | 117.8 | 179.1 | -46.8 | -170.3 | 0 | 0 | 0 | 110.3 | V961 W962 | V961-I965 WeakPolarHBondContact O-CG1 3.24Å; V961-I965 PolarHBondContact O-N 3.48Å; W962-I965 HydrophobicContact CD2-CD1 4.48Å; W962-I965 HydrophobicContact CE3-CD1 3.56Å; W962-I965 HydrophobicContact CZ3-CD1 3.98Å | ||
| 966 | V | 74.1 | Confident | 69.2 | Low | 117 Ų | 117 | 99.5 Ų | 99.5 | 71% | 0.709 | 54% | 0.535 | S | S | * | . | trans | -60.8 | 127.6 | 173.5 | -178.8 | 0 | 0 | 0 | 0 | 110 | E964 V968 | E964-V966 PolarHBondContact O-N 3.13Å; V966-V968 PolarHBondContact O-N 3.48Å | ||
| 967 | P | 63.1 | Low | 70.3 | Confident | 121 Ų | 121 | 104.1 Ų | 104.1 | 79% | 0.786 | 56% | 0.556 | S | S | * | * | trans | -61.6 | 109.1 | 177.5 | -25.1 | 35.1 | 0 | 0 | 0 | 112.3 | ||||
| 968 | V | 63.5 | Low | 71.2 | Confident | 115 Ų | 115 | 104.8 Ų | 104.8 | 70% | 0.697 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 126.5 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | V966 L970 | V966-V968 PolarHBondContact O-N 3.48Å; V968-L970 HydrophobicContact CG1-CD2 4.27Å; V968-L970 PolarHBondContact O-N 3.45Å |
| 969 | K | 72.2 | Confident | 72 | Confident | 206 Ų | 206 | 103.7 Ų | 103.7 | 90% | 0.896 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 116.4 | 167.7 | -74.3 | -173.9 | 178.1 | -178.9 | 0 | 108.9 | ||
| 970 | L | 70.9 | Confident | 72.4 | Confident | 123 Ų | 123 | 104.7 Ų | 104.7 | 64% | 0.644 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -102.1 | 145.2 | 169.6 | -63.4 | 175.7 | 0 | 0 | 0 | 109.1 | V968 P972 L975 | V968-L970 HydrophobicContact CG1-CD2 4.27Å; V968-L970 PolarHBondContact O-N 3.45Å; L970-P972 WeakPolarHBondContact O-CD 3.49Å; L970-L975 HydrophobicContact CB-CD1 3.9Å; L970-L975 HydrophobicContact CD1-CD1 3.99Å; L970-L975 HydrophobicContact CD2-CD1 4.39Å; L970-L975 HydrophobicContact CG-CD1 4.32Å |
| 971 | D | 80.9 | Confident | 71.9 | Confident | 94 Ų | 94 | 107.8 Ų | 107.8 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | trans | -77.3 | 113.1 | 165.9 | -175.2 | -31.7 | 0 | 0 | 0 | 108.2 | D973 F974 L975 | D971-D973 PolarHBondContact OD1-N 3.2Å; D971-F974 HydrophobicContact CB-CB 3.99Å; D971-F974 PolarHBondContact OD1-N 3.17Å; D971-L975 WeakPolarHBondContact O-CB 3.38Å; D971-L975 VanDerWaalsContact O-CG 3.28Å; D971-L975 WeakPolarHBondContact O-CG 3.32Å; D971-L975 PolarHBondContact O-N 3.22Å | ||
| 972 | P | 75.8 | Confident | 71.2 | Confident | 76 Ų | 76 | 111.9 Ų | 111.9 | 49% | 0.494 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73 | -31.7 | -177.9 | 31.5 | -34.3 | 0 | 0 | 0 | 111.9 | L970 E976 | L970-P972 WeakPolarHBondContact O-CD 3.49Å; P972-E976 VanDerWaalsContact O-CB 3.28Å; P972-E976 WeakPolarHBondContact O-CB 3.49Å; P972-E976 PolarHBondContact O-N 3.41Å |
| 973 | D | 77.8 | Confident | 70.1 | Confident | 123 Ų | 123 | 107.4 Ų | 107.4 | 66% | 0.658 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.9 | -44 | -172.2 | -60 | -29.9 | 0 | 0 | 0 | 109.6 | D971 L975 E976 E977 | D971-D973 PolarHBondContact OD1-N 3.2Å; D973-L975 VanDerWaalsContact C-N 3.34Å; D973-L975 PolarHBondContact O-N 2.98Å; D973-E976 PolarHBondContact O-N 2.94Å; D973-E977 PolarHBondContact O-N 2.61Å |
| 974 | F | 80.6 | Confident | 68.8 | Low | 119 Ų | 119 | 109.9 Ų | 109.9 | 52% | 0.522 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.9 | -41.2 | 171.3 | 172.9 | -102.4 | 0 | 0 | 0 | 112.5 | D971 T978 | D971-F974 HydrophobicContact CB-CB 3.99Å; D971-F974 PolarHBondContact OD1-N 3.17Å; F974-T978 WeakPolarHBondContact CE2-OG1 3.28Å; F974-T978 WeakPolarHBondContact CZ-OG1 3.07Å; F974-T978 WeakPolarHBondContact O-CB 3.29Å; F974-T978 PolarHBondContact O-N 2.82Å; F974-T978 PolarHBondContact O-OG1 3.5Å |
| 975 | L | 74.2 | Confident | 67.5 | Low | 57 Ų | 57 | 109.8 Ų | 109.8 | 30% | 0.298 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.8 | -35.9 | 177.8 | -72.3 | 176.6 | 0 | 0 | 0 | 112.3 | L970 D971 D973 F979 | L970-L975 HydrophobicContact CB-CD1 3.9Å; L970-L975 HydrophobicContact CD1-CD1 3.99Å; L970-L975 HydrophobicContact CD2-CD1 4.39Å; L970-L975 HydrophobicContact CG-CD1 4.32Å; D971-L975 WeakPolarHBondContact O-CB 3.38Å; D971-L975 VanDerWaalsContact O-CG 3.28Å; D971-L975 WeakPolarHBondContact O-CG 3.32Å; D971-L975 PolarHBondContact O-N 3.22Å; D973-L975 VanDerWaalsContact C-N 3.34Å; D973-L975 PolarHBondContact O-N 2.98Å; L975-F979 HydrophobicContact CD2-CD2 4Å; L975-F979 HydrophobicContact CD2-CE2 3.8Å; L975-F979 WeakPolarHBondContact O-CB 3.46Å; L975-F979 WeakPolarHBondContact O-CD2 3.46Å; L975-F979 PolarHBondContact O-N 3.29Å |
| 976 | E | 76.4 | Confident | 66 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 36% | 0.355 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.4 | -35.5 | 175.4 | -176.1 | 145.7 | -105.7 | 0 | 0 | 112 | S894 T897 P972 D973 E980 | S894-E976 WeakPolarHBondContact CB-OE1 3.49Å; S894-E976 PolarHBondContact OG-OE1 3.16Å; T897-E976 PolarHBondContact OG1-OE1 2.82Å; P972-E976 VanDerWaalsContact O-CB 3.28Å; P972-E976 WeakPolarHBondContact O-CB 3.49Å; P972-E976 PolarHBondContact O-N 3.41Å; D973-E976 PolarHBondContact O-N 2.94Å; E976-E980 WeakPolarHBondContact O-CA 3.47Å; E976-E980 VanDerWaalsContact O-CB 3.31Å; E976-E980 WeakPolarHBondContact O-CB 3.36Å; E976-E980 PolarHBondContact O-N 3.33Å |
| 977 | E | 76 | Confident | 64.4 | Low | 127 Ų | 127 | 116.4 Ų | 116.4 | 59% | 0.593 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.3 | -47.5 | 171.3 | -176.7 | 176.6 | -170.2 | 0 | 0 | 112.3 | D973 F979 | D973-E977 PolarHBondContact O-N 2.61Å; E977-F979 VanDerWaalsContact C-N 3.35Å; E977-F979 PolarHBondContact O-N 3.26Å |
| 978 | T | 74 | Confident | 63.1 | Low | 72 Ų | 72 | 118.6 Ų | 118.6 | 44% | 0.442 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.8 | -33.5 | -174.9 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | F974 | F974-T978 WeakPolarHBondContact CE2-OG1 3.28Å; F974-T978 WeakPolarHBondContact CZ-OG1 3.07Å; F974-T978 WeakPolarHBondContact O-CB 3.29Å; F974-T978 PolarHBondContact O-N 2.82Å; F974-T978 PolarHBondContact O-OG1 3.5Å |
| 979 | F | 72.9 | Confident | 61.7 | Low | 103 Ų | 103 | 121.4 Ų | 121.4 | 45% | 0.452 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.5 | 22.9 | 179.8 | -58.9 | -81.6 | 0 | 0 | 0 | 113.2 | T897 I898 L975 E977 N981 | T897-F979 WeakPolarHBondContact CA-O 3.44Å; T897-F979 HydrophobicContact CG2-CB 4.08Å; I898-F979 PolarHBondContact N-O 2.75Å; I898-F979 VanDerWaalsContact N-O 3.09Å; L975-F979 HydrophobicContact CD2-CD2 4Å; L975-F979 HydrophobicContact CD2-CE2 3.8Å; L975-F979 WeakPolarHBondContact O-CB 3.46Å; L975-F979 WeakPolarHBondContact O-CD2 3.46Å; L975-F979 PolarHBondContact O-N 3.29Å; E977-F979 VanDerWaalsContact C-N 3.35Å; E977-F979 PolarHBondContact O-N 3.26Å; F979-N981 PolarHBondContact O-N 2.81Å |
| 980 | E | 73.2 | Confident | 59.8 | Low | 65 Ų | 65 | 120.5 Ų | 120.5 | 30% | 0.304 | 60% | 0.604 | S | S | . | * | B | Isolated β-bridge | trans | -58.4 | 125.6 | 163.5 | -177.5 | 174.7 | -143.4 | 0 | 0 | 108.3 | K896 E976 R982 | K896-E980 HydrophobicContact CB-CG 4.45Å; K896-E980 WeakPolarHBondContact CD-OE1 3.44Å; K896-E980 WeakPolarHBondContact CE-OE1 3.33Å; K896-E980 IonicContact NZ-OE1 2.67Å; K896-E980 PolarHBondContact NZ-OE1 3Å; E976-E980 WeakPolarHBondContact O-CA 3.47Å; E976-E980 VanDerWaalsContact O-CB 3.31Å; E976-E980 WeakPolarHBondContact O-CB 3.36Å; E976-E980 PolarHBondContact O-N 3.33Å; E980-R982 VanDerWaalsContact C-N 3.28Å; E980-R982 PolarHBondContact O-N 3.49Å |
| 981 | N | 56.1 | Low | 58 | Low | 96 Ų | 96 | 123.6 Ų | 123.6 | 51% | 0.513 | 62% | 0.616 | S | S | . | * | trans | -69.5 | 89.3 | 170.9 | -172.7 | 18.2 | 0 | 0 | 0 | 109 | K896 I898 F979 S983 | K896-N981 WeakPolarHBondContact O-CB 3.31Å; K896-N981 PolarHBondContact O-N 2.84Å; I898-N981 HydrophobicContact CG1-CB 4.32Å; F979-N981 PolarHBondContact O-N 2.81Å; N981-S983 PolarHBondContact O-N 2.69Å | ||
| 982 | R | 55.8 | Low | 55.9 | Low | 183 Ų | 183 | 126.6 Ų | 126.6 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | trans | -68.8 | 62.4 | 177.8 | -67.5 | -175.2 | -179.4 | 175.7 | 2.8 | 111.6 | E980 S984 | E980-R982 VanDerWaalsContact C-N 3.28Å; E980-R982 PolarHBondContact O-N 3.49Å; R982-S984 PolarHBondContact O-N 2.82Å | ||
| 983 | S | 48.5 | Very low | 54.3 | Low | 88 Ų | 88 | 129 Ų | 129 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | trans | -73.3 | 66.9 | 174.5 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | N981 | N981-S983 PolarHBondContact O-N 2.69Š| ||
| 984 | S | 40.3 | Very low | 52.9 | Low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 64% | 0.643 | S | S | * | * | trans | 50.2 | 126.9 | 173.2 | 59.8 | 0 | 0 | 0 | 0 | 117.3 | R982 L986 | R982-S984 PolarHBondContact O-N 2.82Å; S984-L986 PolarHBondContact O-N 2.9Å | ||
| 985 | D | 40.7 | Very low | 51.7 | Low | 146 Ų | 146 | 126.3 Ų | 126.3 | 78% | 0.781 | 65% | 0.646 | S | S | * | * | trans | -39.4 | 132.9 | 164.8 | -74.8 | -66.9 | 0 | 0 | 0 | 111.8 | K987 | D985-K987 PolarHBondContact O-N 2.92Š| ||
| 986 | L | 39.5 | Very low | 51.2 | Low | 170 Ų | 170 | 131.2 Ų | 131.2 | 89% | 0.89 | 67% | 0.665 | S | S | * | * | trans | -69.5 | 67.8 | 170.7 | -72.1 | 171.9 | 0 | 0 | 0 | 109.9 | S984 I988 | S984-L986 PolarHBondContact O-N 2.9Å; L986-I988 PolarHBondContact O-N 3.14Å | ||
| 987 | K | 39.4 | Very low | 51 | Low | 182 Ų | 182 | 133 Ų | 133 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | trans | -52.6 | 112.3 | 159.3 | -74.7 | -174.1 | 178.3 | 177.3 | 0 | 106.1 | D985 K989 | D985-K987 PolarHBondContact O-N 2.92Å; K987-K989 VanDerWaalsContact C-N 3.25Å; K987-K989 PolarHBondContact O-N 3.38Å | ||
| 988 | I | 37 | Very low | 50.9 | Low | 166 Ų | 166 | 127.2 Ų | 127.2 | 85% | 0.851 | 64% | 0.644 | S | S | * | * | trans | -58.9 | 93.3 | 178.4 | -60.6 | 169.8 | 0 | 0 | 0 | 107.1 | L986 K990 | L986-I988 PolarHBondContact O-N 3.14Å; I988-K990 PolarHBondContact O-N 3.27Å | ||
| 989 | K | 34.3 | Very low | 51.2 | Low | 174 Ų | 174 | 130.3 Ų | 130.3 | 76% | 0.757 | 65% | 0.654 | S | S | * | * | trans | -68 | 90.1 | 165.7 | -88.3 | -157.6 | 168.8 | -155.3 | 0 | 106.4 | K987 Q991 | K987-K989 VanDerWaalsContact C-N 3.25Å; K987-K989 PolarHBondContact O-N 3.38Å; K989-Q991 PolarHBondContact O-N 3.26Å | ||
| 990 | K | 31.5 | Very low | 51.7 | Low | 188 Ų | 188 | 128 Ų | 128 | 82% | 0.817 | 65% | 0.648 | S | S | * | * | trans | -27.7 | 127.9 | 151.4 | -177.8 | -177.1 | -176.3 | -177 | 0 | 108.2 | I988 E992 | I988-K990 PolarHBondContact O-N 3.27Å; K990-E992 PolarHBondContact O-N 3.12Å | ||
| 991 | Q | 34 | Very low | 52.4 | Low | 188 Ų | 188 | 125.9 Ų | 125.9 | 88% | 0.879 | 64% | 0.639 | S | S | * | * | trans | -61.9 | 72.7 | -162.7 | -166.5 | 176.2 | 12.4 | 0 | 0 | 113.4 | K989 V993 | K989-Q991 PolarHBondContact O-N 3.26Å; Q991-V993 PolarHBondContact O-N 2.86Å | ||
| 992 | E | 36.8 | Very low | 53.8 | Low | 157 Ų | 157 | 125.9 Ų | 125.9 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | trans | -76.3 | 115.1 | 175.2 | -170.5 | 167.4 | -117.4 | 0 | 0 | 107 | K990 A994 | K990-E992 PolarHBondContact O-N 3.12Å; E992-A994 PolarHBondContact O-N 2.88Å | ||
| 993 | V | 41.3 | Very low | 55.3 | Low | 125 Ų | 125 | 123.6 Ų | 123.6 | 76% | 0.758 | 64% | 0.637 | S | S | * | * | trans | -55.9 | 113.9 | -169.8 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | Q991 V995 | Q991-V993 PolarHBondContact O-N 2.86Å; V993-V995 PolarHBondContact O-N 3.5Å | ||
| 994 | A | 47.5 | Very low | 57.2 | Low | 89 Ų | 89 | 127.6 Ų | 127.6 | 74% | 0.736 | 64% | 0.644 | S | S | * | * | trans | -62.2 | 102.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | E992 K996 | E992-A994 PolarHBondContact O-N 2.88Å; A994-K996 PolarHBondContact O-N 3.29Å | ||
| 995 | V | 56.4 | Low | 59.6 | Low | 97 Ų | 97 | 125.2 Ų | 125.2 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | trans | -58.2 | 110.5 | 174.4 | -179.4 | 0 | 0 | 0 | 0 | 106.8 | V993 K997 P1067 | V993-V995 PolarHBondContact O-N 3.5Å; V995-K997 PolarHBondContact O-N 3.1Å; V995-P1067 HydrophobicContact CG1-CG 3.66Å | ||
| 996 | K | 63.4 | Low | 62 | Low | 161 Ų | 161 | 119.2 Ų | 119.2 | 70% | 0.7 | 59% | 0.588 | S | S | * | * | trans | -53.5 | 127.7 | 178.5 | -69.9 | -177.5 | 178.3 | -177.8 | 0 | 108.3 | A994 L1066 | A994-K996 PolarHBondContact O-N 3.29Å; K996-L1066 HydrophobicContact CB-CD1 3.75Å; K996-L1066 HydrophobicContact CB-CD2 4.16Å; K996-L1066 HydrophobicContact CD-CD1 4.47Å | ||
| 997 | K | 72.2 | Confident | 64.4 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | trans | -102 | 147.4 | 175.2 | -68.4 | -170.9 | 179 | -176 | 0 | 110.4 | V995 E999 P1067 | V995-K997 PolarHBondContact O-N 3.1Å; K997-E999 HydrophobicContact CB-CG 4.28Å; K997-E999 PolarHBondContact O-N 3.28Å; K997-P1067 CarbonylContact C-O 3.6Å; K997-P1067 WeakPolarHBondContact CA-O 3.36Å; K997-P1067 HydrophobicContact CG-CG 4.41Å | ||
| 998 | I | 75.3 | Confident | 66.9 | Low | 5 Ų | 5 | 107.8 Ų | 107.8 | 3% | 0.026 | 54% | 0.542 | C | S | . | . | B | Isolated β-bridge | trans | -83 | 97.3 | 172.1 | -49 | 179.6 | 0 | 0 | 0 | 106.9 | V1000 A1059 K1060 Q1063 L1066 P1067 L1068 G1069 | I998-V1000 HydrophobicContact CG2-CG2 3.82Å; I998-A1059 HydrophobicContact CG2-CB 3.67Å; I998-K1060 HydrophobicContact CD1-CB 4.49Å; I998-Q1063 HydrophobicContact CD1-CB 3.87Å; I998-Q1063 HydrophobicContact CG1-CB 4.26Å; I998-L1066 HydrophobicContact CD1-CB 4.02Å; I998-L1066 WeakPolarHBondContact CD1-O 3.28Å; I998-L1066 HydrophobicContact CG1-CB 3.76Å; I998-P1067 PolarHBondContact N-O 3.48Å; I998-L1068 HydrophobicContact CB-CD2 4.07Å; I998-L1068 HydrophobicContact CG2-CD2 4.21Å; I998-G1069 PolarHBondContact O-N 3.28Å |
| 999 | E | 80 | Confident | 69.4 | Low | 138 Ų | 138 | 99.9 Ų | 99.9 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | trans | -105.4 | 126 | 174.2 | -66 | 177.9 | -177.8 | 0 | 0 | 107.6 | K997 E1072 | K997-E999 HydrophobicContact CB-CG 4.28Å; K997-E999 PolarHBondContact O-N 3.28Å; E999-E1072 WeakPolarHBondContact CA-OE1 3.45Å | ||
| 1000 | V | 83.6 | Confident | 72 | Confident | 53 Ų | 53 | 93.7 Ų | 93.7 | 32% | 0.321 | 48% | 0.477 | S | S | . | . | trans | -132.1 | -31.3 | -169.1 | -172.8 | 0 | 0 | 0 | 0 | 111 | I998 A1055 I1056 A1059 E1072 | I998-V1000 HydrophobicContact CG2-CG2 3.82Å; V1000-A1055 HydrophobicContact CG1-CB 3.86Å; V1000-I1056 HydrophobicContact CB-CG1 3.97Å; V1000-I1056 HydrophobicContact CG1-CG1 4.2Å; V1000-I1056 HydrophobicContact CG2-CG1 4.31Å; V1000-A1059 HydrophobicContact CG2-CB 3.64Å; V1000-E1072 HydrophobicContact CB-CG 4.33Å; V1000-E1072 PolarHBondContact N-OE1 2.99Å | ||
| 1001 | L | 86.2 | Confident | 74.7 | Confident | 22 Ų | 22 | 89.8 Ų | 89.8 | 12% | 0.115 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -73.6 | 147.8 | 176.4 | -63.6 | 167.5 | 0 | 0 | 0 | 110.1 | R1005 I1009 E1052 I1056 A1071 E1072 L1075 | L1001-R1005 HydrophobicContact CD2-CG 4.21Å; L1001-I1009 HydrophobicContact CD1-CD1 3.96Å; L1001-E1052 HydrophobicContact CD2-CB 4.25Å; L1001-E1052 HydrophobicContact CD2-CG 3.83Å; L1001-E1052 WeakPolarHBondContact CD2-OE1 3.48Å; L1001-I1056 HydrophobicContact CD1-CD1 4.49Å; L1001-I1056 HydrophobicContact CD2-CD1 4.27Å; L1001-I1056 HydrophobicContact CG-CD1 4.28Å; L1001-A1071 HydrophobicContact CD1-CB 3.74Å; L1001-E1072 HydrophobicContact CD1-CG 4.04Å; L1001-E1072 HydrophobicContact CG-CG 4.09Å; L1001-E1072 PolarHBondContact N-OE1 2.98Å; L1001-L1075 HydrophobicContact CD1-CD1 3.76Å; L1001-L1075 HydrophobicContact CD1-CG 4.34Å; L1001-L1075 HydrophobicContact CD2-CD1 3.83Å; L1001-L1075 HydrophobicContact CG-CD1 4.4Å |
| 1002 | D | 87.2 | Confident | 77.1 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | trans | -65 | 154.8 | 174.7 | 87 | -92.7 | 0 | 0 | 0 | 111.4 | K1004 R1005 S1006 | D1002-K1004 PolarHBondContact O-N 3.31Å; D1002-K1004 VanDerWaalsContact O-N 3.1Å; D1002-K1004 WeakPolarHBondContact OD2-CA 3.25Å; D1002-K1004 VanDerWaalsContact OD2-CB 3.25Å; D1002-K1004 WeakPolarHBondContact OD2-CB 3.21Å; D1002-K1004 PolarHBondContact OD2-N 3.11Å; D1002-R1005 PolarHBondContact O-N 3.01Å; D1002-R1005 WeakPolarHBondContact OD1-CB 3.45Å; D1002-R1005 PolarHBondContact OD1-N 3.31Å; D1002-R1005 PolarHBondContact OD2-N 3.1Å; D1002-S1006 WeakPolarHBondContact O-CB 3.46Å; D1002-S1006 PolarHBondContact O-N 2.99Å | ||
| 1003 | M | 85.7 | Confident | 79.4 | Confident | 135 Ų | 135 | 75.4 Ų | 75.4 | 67% | 0.665 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -56.7 | -29.7 | -175.6 | -174.8 | 59.5 | 63.2 | 0 | 0 | 113.4 | N1007 | M1003-N1007 VanDerWaalsContact O-CB 3.26Å; M1003-N1007 WeakPolarHBondContact O-CB 3.12Å; M1003-N1007 PolarHBondContact O-N 3.2Å; M1003-N1007 PolarHBondContact O-ND2 3.41Å; M1003-N1007 PolarHBondContact SD-ND2 3.11Å |
| 1004 | K | 89.4 | Confident | 81.5 | Confident | 173 Ų | 173 | 77.8 Ų | 77.8 | 75% | 0.752 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -78.4 | -48.3 | 176.5 | -61.1 | 178.5 | 179.1 | 175.5 | 0 | 111.4 | D1002 N1007 A1008 | D1002-K1004 PolarHBondContact O-N 3.31Å; D1002-K1004 VanDerWaalsContact O-N 3.1Å; D1002-K1004 WeakPolarHBondContact OD2-CA 3.25Å; D1002-K1004 VanDerWaalsContact OD2-CB 3.25Å; D1002-K1004 WeakPolarHBondContact OD2-CB 3.21Å; D1002-K1004 PolarHBondContact OD2-N 3.11Å; K1004-N1007 PolarHBondContact O-N 3.14Å; K1004-A1008 WeakPolarHBondContact O-CB 3.47Å; K1004-A1008 PolarHBondContact O-N 3.48Å |
| 1005 | R | 91 | Very high | 83.2 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 20% | 0.2 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 178.2 | -179.5 | 65.7 | 158.4 | 167 | -3.9 | 111.6 | L1001 D1002 N1007 A1008 I1009 T1045 L1047 E1052 | L1001-R1005 HydrophobicContact CD2-CG 4.21Å; D1002-R1005 PolarHBondContact O-N 3.01Å; D1002-R1005 WeakPolarHBondContact OD1-CB 3.45Å; D1002-R1005 PolarHBondContact OD1-N 3.31Å; D1002-R1005 PolarHBondContact OD2-N 3.1Å; R1005-N1007 PolarHBondContact O-N 3.44Å; R1005-A1008 PolarHBondContact O-N 2.93Å; R1005-I1009 HydrophobicContact CG-CD1 4.07Å; R1005-I1009 WeakPolarHBondContact O-CG1 3.33Å; R1005-I1009 PolarHBondContact O-N 2.66Å; R1005-T1045 PolarHBondContact NH1-O 3.34Å; R1005-L1047 PolarHBondContact NH2-O 3.03Å; R1005-E1052 WeakPolarHBondContact CG-OE1 3.46Å; R1005-E1052 IonicContact CZ-OE1 2.68Å; R1005-E1052 IonicContact CZ-OE2 3.17Å; R1005-E1052 IonicContact NE-OE1 3.52Å; R1005-E1052 PolarHBondContact NE-OE1 3.45Å; R1005-E1052 IonicContact NE-OE2 2.69Å; R1005-E1052 VanDerWaalsContact NH2-CD 3.33Å; R1005-E1052 IonicContact NH2-OE1 3.53Å; R1005-E1052 PolarHBondContact NH2-OE1 3.16Å; R1005-E1052 VanDerWaalsContact NH2-OE1 3.15Å; R1005-E1052 IonicContact NH2-OE2 3.92Å; R1005-E1052 PolarHBondContact NH2-OE2 3Å |
| 1006 | S | 91.3 | Very high | 84.4 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 175.3 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | D1002 N1010 | D1002-S1006 WeakPolarHBondContact O-CB 3.46Å; D1002-S1006 PolarHBondContact O-N 2.99Å; S1006-N1010 WeakPolarHBondContact O-CB 3.25Å; S1006-N1010 PolarHBondContact O-N 2.76Å; S1006-N1010 PolarHBondContact O-ND2 2.8Å; S1006-N1010 PolarHBondContact OG-ND2 3.13Å |
| 1007 | N | 90.1 | Very high | 85.2 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 174.7 | -84.2 | -56.8 | 0 | 0 | 0 | 113.1 | M1003 K1004 R1005 I1009 N1010 I1011 | M1003-N1007 VanDerWaalsContact O-CB 3.26Å; M1003-N1007 WeakPolarHBondContact O-CB 3.12Å; M1003-N1007 PolarHBondContact O-N 3.2Å; M1003-N1007 PolarHBondContact O-ND2 3.41Å; M1003-N1007 PolarHBondContact SD-ND2 3.11Å; K1004-N1007 PolarHBondContact O-N 3.14Å; R1005-N1007 PolarHBondContact O-N 3.44Å; N1007-I1009 PolarHBondContact O-N 3.26Å; N1007-N1010 CarbonylContact O-C 3.5Å; N1007-N1010 PolarHBondContact O-N 3.37Å; N1007-I1011 WeakPolarHBondContact O-CB 3.44Å; N1007-I1011 WeakPolarHBondContact O-CD1 3.31Å; N1007-I1011 WeakPolarHBondContact O-CG1 3.28Å; N1007-I1011 PolarHBondContact O-N 3.2Å |
| 1008 | A | 90.5 | Very high | 85.6 | Confident | 36 Ų | 36 | 67.2 Ų | 67.2 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1004 R1005 I1011 G1012 T1045 | K1004-A1008 WeakPolarHBondContact O-CB 3.47Å; K1004-A1008 PolarHBondContact O-N 3.48Å; R1005-A1008 PolarHBondContact O-N 2.93Å; A1008-I1011 PolarHBondContact O-N 2.89Å; A1008-G1012 PolarHBondContact O-N 3.07Å; A1008-G1012 VanDerWaalsContact O-N 3.13Å; A1008-T1045 HydrophobicContact CB-CG2 4.33Å |
| 1009 | I | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 174.2 | -66.2 | 160.5 | 0 | 0 | 0 | 110.3 | L1001 R1005 N1007 I1011 G1012 L1013 M1046 A1071 F1074 L1075 | L1001-I1009 HydrophobicContact CD1-CD1 3.96Å; R1005-I1009 HydrophobicContact CG-CD1 4.07Å; R1005-I1009 WeakPolarHBondContact O-CG1 3.33Å; R1005-I1009 PolarHBondContact O-N 2.66Å; N1007-I1009 PolarHBondContact O-N 3.26Å; I1009-I1011 VanDerWaalsContact C-N 3.26Å; I1009-I1011 PolarHBondContact O-N 2.84Å; I1009-G1012 PolarHBondContact O-N 3.17Å; I1009-L1013 HydrophobicContact CG2-CD1 3.87Å; I1009-L1013 HydrophobicContact CG2-CG 4.29Å; I1009-L1013 WeakPolarHBondContact O-CB 3.43Å; I1009-L1013 VanDerWaalsContact O-CG 3.31Å; I1009-L1013 WeakPolarHBondContact O-CG 3.32Å; I1009-L1013 PolarHBondContact O-N 3.32Å; I1009-M1046 HydrophobicContact CG1-CG 4.41Å; I1009-A1071 HydrophobicContact CB-CB 3.96Å; I1009-A1071 HydrophobicContact CD1-CB 4.26Å; I1009-A1071 HydrophobicContact CG2-CB 3.74Å; I1009-F1074 HydrophobicContact CG2-CD1 3.75Å; I1009-F1074 HydrophobicContact CG2-CE1 4.46Å; I1009-L1075 HydrophobicContact CD1-CD1 3.96Å; I1009-L1075 HydrophobicContact CD1-CD2 3.89Å; I1009-L1075 HydrophobicContact CD1-CG 4.02Å |
| 1010 | N | 88.8 | Confident | 85.5 | Confident | 44 Ų | 44 | 72.6 Ų | 72.6 | 24% | 0.235 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.8 | -23.8 | 178.6 | -77.3 | -59.7 | 0 | 0 | 0 | 114.2 | S1006 N1007 | S1006-N1010 WeakPolarHBondContact O-CB 3.25Å; S1006-N1010 PolarHBondContact O-N 2.76Å; S1006-N1010 PolarHBondContact O-ND2 2.8Å; S1006-N1010 PolarHBondContact OG-ND2 3.13Å; N1007-N1010 CarbonylContact O-C 3.5Å; N1007-N1010 PolarHBondContact O-N 3.37Å |
| 1011 | I | 88.2 | Confident | 85.7 | Confident | 105 Ų | 105 | 72.7 Ų | 72.7 | 54% | 0.538 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.4 | -54.1 | 173 | -75.5 | 163.1 | 0 | 0 | 0 | 109.9 | N1007 A1008 I1009 L1013 K1014 | N1007-I1011 WeakPolarHBondContact O-CB 3.44Å; N1007-I1011 WeakPolarHBondContact O-CD1 3.31Å; N1007-I1011 WeakPolarHBondContact O-CG1 3.28Å; N1007-I1011 PolarHBondContact O-N 3.2Å; A1008-I1011 PolarHBondContact O-N 2.89Å; I1009-I1011 VanDerWaalsContact C-N 3.26Å; I1009-I1011 PolarHBondContact O-N 2.84Å; I1011-L1013 VanDerWaalsContact C-N 3.29Å; I1011-L1013 PolarHBondContact O-N 3.3Å; I1011-K1014 VanDerWaalsContact O-CB 3.31Å; I1011-K1014 WeakPolarHBondContact O-CB 3.37Å; I1011-K1014 PolarHBondContact O-N 3.06Å; I1011-K1014 VanDerWaalsContact O-N 3.08Å |
| 1012 | G | 85.3 | Confident | 85.7 | Confident | 14 Ų | 14 | 71.7 Ų | 71.7 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.6 | -25.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1008 I1009 K1014 V1015 L1016 | A1008-G1012 PolarHBondContact O-N 3.07Å; A1008-G1012 VanDerWaalsContact O-N 3.13Å; I1009-G1012 PolarHBondContact O-N 3.17Å; G1012-K1014 PolarHBondContact O-N 3.31Å; G1012-K1014 VanDerWaalsContact O-N 3.11Å; G1012-V1015 PolarHBondContact O-N 3.06Å; G1012-L1016 PolarHBondContact O-N 3.13Å; G1012-L1016 VanDerWaalsContact O-N 3.15Å |
| 1013 | L | 85.5 | Confident | 85.7 | Confident | 30 Ų | 30 | 68 Ų | 68 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -14.1 | 169.6 | -82.4 | 175 | 0 | 0 | 0 | 113.9 | I1009 I1011 V1015 P1019 F1074 | I1009-L1013 HydrophobicContact CG2-CD1 3.87Å; I1009-L1013 HydrophobicContact CG2-CG 4.29Å; I1009-L1013 WeakPolarHBondContact O-CB 3.43Å; I1009-L1013 VanDerWaalsContact O-CG 3.31Å; I1009-L1013 WeakPolarHBondContact O-CG 3.32Å; I1009-L1013 PolarHBondContact O-N 3.32Å; I1011-L1013 VanDerWaalsContact C-N 3.29Å; I1011-L1013 PolarHBondContact O-N 3.3Å; L1013-V1015 VanDerWaalsContact C-N 3.34Å; L1013-P1019 HydrophobicContact CD2-CG 4.35Å; L1013-F1074 HydrophobicContact CD1-CB 4.08Å; L1013-F1074 HydrophobicContact CD1-CD1 4.19Å; L1013-F1074 HydrophobicContact CD1-CG 4.07Å; L1013-F1074 HydrophobicContact CD2-CD1 4Å; L1013-F1074 HydrophobicContact CD2-CD2 3.81Å; L1013-F1074 HydrophobicContact CD2-CE1 3.99Å; L1013-F1074 HydrophobicContact CD2-CE2 3.82Å; L1013-F1074 HydrophobicContact CD2-CG 3.89Å; L1013-F1074 HydrophobicContact CD2-CZ 3.89Å; L1013-F1074 HydrophobicContact CG-CD1 4.28Å; L1013-F1074 HydrophobicContact CG-CE1 4.48Å; L1013-F1074 HydrophobicContact CG-CG 4.42Å |
| 1014 | K | 85.5 | Confident | 85.7 | Confident | 175 Ų | 175 | 63.9 Ų | 63.9 | 76% | 0.761 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -16 | 170.6 | -58.7 | 174.3 | -177.3 | 178.3 | 0 | 113.3 | I1011 G1012 | I1011-K1014 VanDerWaalsContact O-CB 3.31Å; I1011-K1014 WeakPolarHBondContact O-CB 3.37Å; I1011-K1014 PolarHBondContact O-N 3.06Å; I1011-K1014 VanDerWaalsContact O-N 3.08Å; G1012-K1014 PolarHBondContact O-N 3.31Å; G1012-K1014 VanDerWaalsContact O-N 3.11Å |
| 1015 | V | 82.1 | Confident | 85.6 | Confident | 100 Ų | 100 | 55.6 Ų | 55.6 | 61% | 0.606 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -20.5 | -177 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | G1012 L1013 | G1012-V1015 PolarHBondContact O-N 3.06Å; L1013-V1015 VanDerWaalsContact C-N 3.34Å |
| 1016 | L | 82.7 | Confident | 85.4 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -94.7 | 159.8 | 177.8 | -63.2 | 177.9 | 0 | 0 | 0 | 112.6 | G1012 I1022 G1038 L1042 M1046 | G1012-L1016 PolarHBondContact O-N 3.13Å; G1012-L1016 VanDerWaalsContact O-N 3.15Å; L1016-I1022 HydrophobicContact CB-CD1 3.85Å; L1016-I1022 HydrophobicContact CD1-CD1 4.21Å; L1016-G1038 VanDerWaalsContact CD2-CA 3.48Å; L1016-L1042 HydrophobicContact CD1-CD2 3.79Å; L1016-L1042 HydrophobicContact CD1-CG 3.99Å; L1016-M1046 HydrophobicContact CD1-CE 3.68Å; L1016-M1046 HydrophobicContact CD1-SD 3.56Å; L1016-M1046 VanDerWaalsContact CD1-SD 3.56Å; L1016-M1046 HydrophobicContact CG-CE 4.48Å |
| 1017 | P | 80.1 | Confident | 85.1 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 21% | 0.214 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 170.7 | 172.3 | -21.6 | 32.6 | 0 | 0 | 0 | 114 | T1021 I1022 I1033 I1034 | P1017-T1021 VanDerWaalsContact CB-OG1 3.31Å; P1017-T1021 WeakPolarHBondContact CB-OG1 3.39Å; P1017-I1022 HydrophobicContact CB-CG1 4.21Å; P1017-I1022 WeakPolarHBondContact O-CD1 3.27Å; P1017-I1033 HydrophobicContact CB-CG2 4.22Å; P1017-I1033 HydrophobicContact CG-CG2 3.96Å; P1017-I1033 WeakPolarHBondContact CG-O 3.45Å; P1017-I1034 HydrophobicContact CG-CG1 4.38Å |
| 1018 | P | 79.8 | Confident | 84.9 | Confident | 87 Ų | 87 | 59.7 Ų | 59.7 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 137.4 | 174.6 | -26.9 | 35.4 | 0 | 0 | 0 | 113.2 | R1020 T1021 I1022 | P1018-R1020 VanDerWaalsContact C-N 3.25Å; P1018-R1020 PolarHBondContact O-N 3.28Å; P1018-T1021 WeakPolarHBondContact CD-OG1 3.19Å; P1018-T1021 WeakPolarHBondContact O-CA 3.44Å; P1018-T1021 PolarHBondContact O-N 3.15Å; P1018-T1021 PolarHBondContact O-OG1 2.69Å; P1018-I1022 PolarHBondContact O-N 2.68Å |
| 1019 | P | 75.7 | Confident | 84.6 | Confident | 34 Ų | 34 | 58.7 Ų | 58.7 | 22% | 0.221 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -44 | -38.9 | -176.5 | -38.2 | 38.9 | 0 | 0 | 0 | 117.3 | L1013 I1022 S1023 F1074 | L1013-P1019 HydrophobicContact CD2-CG 4.35Å; P1019-I1022 PolarHBondContact O-N 2.9Å; P1019-S1023 PolarHBondContact O-N 2.85Å; P1019-S1023 PolarHBondContact O-OG 3.39Å; P1019-F1074 HydrophobicContact CB-CD2 3.84Å; P1019-F1074 HydrophobicContact CB-CE2 4.29Å; P1019-F1074 HydrophobicContact CG-CD2 3.83Å; P1019-F1074 HydrophobicContact CG-CE2 4.37Å |
| 1020 | R | 78.9 | Confident | 84.3 | Confident | 222 Ų | 222 | 60.9 Ų | 60.9 | 84% | 0.838 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -71.6 | -30.6 | 179.2 | -60.8 | -174.9 | -174.3 | 178.1 | 2.4 | 113.1 | P1018 | P1018-R1020 VanDerWaalsContact C-N 3.25Å; P1018-R1020 PolarHBondContact O-N 3.28Å |
| 1021 | T | 85.9 | Confident | 84 | Confident | 55 Ų | 55 | 65.1 Ų | 65.1 | 34% | 0.337 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -77.5 | -36.7 | 174.9 | 62.9 | 0 | 0 | 0 | 0 | 111.5 | P1017 P1018 S1023 S1024 A1025 | P1017-T1021 VanDerWaalsContact CB-OG1 3.31Å; P1017-T1021 WeakPolarHBondContact CB-OG1 3.39Å; P1018-T1021 WeakPolarHBondContact CD-OG1 3.19Å; P1018-T1021 WeakPolarHBondContact O-CA 3.44Å; P1018-T1021 PolarHBondContact O-N 3.15Å; P1018-T1021 PolarHBondContact O-OG1 2.69Å; T1021-S1023 PolarHBondContact O-N 3.32Å; T1021-S1024 PolarHBondContact O-N 3.38Å; T1021-A1025 WeakPolarHBondContact O-CB 3.21Å; T1021-A1025 PolarHBondContact O-N 3.13Å |
| 1022 | I | 87.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -53.5 | -51.9 | 174.4 | -69.8 | 173.7 | 0 | 0 | 0 | 110.9 | L1016 P1017 P1018 P1019 S1024 A1025 I1026 I1034 L1042 F1074 L1078 | L1016-I1022 HydrophobicContact CB-CD1 3.85Å; L1016-I1022 HydrophobicContact CD1-CD1 4.21Å; P1017-I1022 HydrophobicContact CB-CG1 4.21Å; P1017-I1022 WeakPolarHBondContact O-CD1 3.27Å; P1018-I1022 PolarHBondContact O-N 2.68Å; P1019-I1022 PolarHBondContact O-N 2.9Å; I1022-S1024 VanDerWaalsContact C-N 3.32Å; I1022-S1024 PolarHBondContact O-N 2.86Å; I1022-A1025 WeakPolarHBondContact O-CB 3.32Å; I1022-A1025 PolarHBondContact O-N 3.48Å; I1022-A1025 VanDerWaalsContact O-N 3.12Å; I1022-I1026 HydrophobicContact CG2-CD1 3.58Å; I1022-I1026 HydrophobicContact CG2-CG1 4.32Å; I1022-I1026 WeakPolarHBondContact O-CG1 3.29Å; I1022-I1026 PolarHBondContact O-N 2.89Å; I1022-I1034 HydrophobicContact CB-CD1 4.28Å; I1022-I1034 HydrophobicContact CG1-CD1 4.25Å; I1022-I1034 HydrophobicContact CG2-CD1 3.96Å; I1022-L1042 HydrophobicContact CG2-CD1 4.37Å; I1022-F1074 HydrophobicContact CD1-CE2 3.75Å; I1022-F1074 HydrophobicContact CD1-CZ 4Å; I1022-L1078 HydrophobicContact CG2-CD2 4.01Å |
| 1023 | S | 85.9 | Confident | 83.7 | Confident | 17 Ų | 17 | 66.9 Ų | 66.9 | 12% | 0.119 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | -177.2 | -52.9 | 0 | 0 | 0 | 0 | 112.6 | P1019 T1021 L1027 T1077 | P1019-S1023 PolarHBondContact O-N 2.85Å; P1019-S1023 PolarHBondContact O-OG 3.39Å; T1021-S1023 PolarHBondContact O-N 3.32Å; S1023-L1027 WeakPolarHBondContact O-CB 3.15Å; S1023-L1027 VanDerWaalsContact O-CG 3.31Å; S1023-L1027 WeakPolarHBondContact O-CG 3.37Å; S1023-L1027 PolarHBondContact O-N 3.41Å; S1023-L1027 VanDerWaalsContact O-N 3.09Å; S1023-T1077 WeakPolarHBondContact OG-CG2 3.45Å |
| 1024 | S | 85.6 | Confident | 83.6 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 174.7 | -166.5 | 0 | 0 | 0 | 0 | 112 | T1021 I1022 K1028 | T1021-S1024 PolarHBondContact O-N 3.38Å; I1022-S1024 VanDerWaalsContact C-N 3.32Å; I1022-S1024 PolarHBondContact O-N 2.86Å; S1024-K1028 WeakPolarHBondContact O-CB 3.24Å; S1024-K1028 WeakPolarHBondContact O-CG 3.47Å; S1024-K1028 PolarHBondContact O-N 3.36Å |
| 1025 | A | 87.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.3 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1021 I1022 L1027 K1028 M1029 D1030 I1033 I1034 W1091 | T1021-A1025 WeakPolarHBondContact O-CB 3.21Å; T1021-A1025 PolarHBondContact O-N 3.13Å; I1022-A1025 WeakPolarHBondContact O-CB 3.32Å; I1022-A1025 PolarHBondContact O-N 3.48Å; I1022-A1025 VanDerWaalsContact O-N 3.12Å; A1025-L1027 VanDerWaalsContact C-N 3.33Å; A1025-L1027 PolarHBondContact O-N 3.01Å; A1025-K1028 CarbonylContact O-C 3.44Å; A1025-K1028 PolarHBondContact O-N 3.16Å; A1025-K1028 VanDerWaalsContact O-N 3.15Å; A1025-M1029 WeakPolarHBondContact O-CA 3.49Å; A1025-M1029 PolarHBondContact O-N 3.39Å; A1025-D1030 HydrophobicContact CB-CB 4.29Å; A1025-D1030 PolarHBondContact O-N 3.24Å; A1025-D1030 VanDerWaalsContact O-N 3.09Å; A1025-I1033 HydrophobicContact CB-CB 3.81Å; A1025-I1033 HydrophobicContact CB-CD1 4.16Å; A1025-I1033 HydrophobicContact CB-CG2 3.81Å; A1025-I1034 HydrophobicContact CB-CD1 4Å; A1025-I1034 HydrophobicContact CB-CG1 3.96Å; A1025-W1091 HydrophobicContact CB-CH2 4.26Å |
| 1026 | I | 88.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 175.3 | -66.3 | 168 | 0 | 0 | 0 | 111.4 | I1022 K1028 I1034 L1042 L1078 I1081 L1084 R1087 L1088 W1091 | I1022-I1026 HydrophobicContact CG2-CD1 3.58Å; I1022-I1026 HydrophobicContact CG2-CG1 4.32Å; I1022-I1026 WeakPolarHBondContact O-CG1 3.29Å; I1022-I1026 PolarHBondContact O-N 2.89Å; I1026-K1028 VanDerWaalsContact C-N 3.28Å; I1026-K1028 PolarHBondContact O-N 2.79Å; I1026-I1034 HydrophobicContact CG1-CD1 4.17Å; I1026-L1042 HydrophobicContact CD1-CD1 4.21Å; I1026-L1078 HydrophobicContact CD1-CD2 3.97Å; I1026-I1081 HydrophobicContact CB-CD1 4.3Å; I1026-I1081 HydrophobicContact CD1-CD1 4.08Å; I1026-I1081 HydrophobicContact CG2-CD1 4.23Å; I1026-I1081 HydrophobicContact CG2-CG2 4.12Å; I1026-L1084 HydrophobicContact CD1-CD1 4.11Å; I1026-L1084 HydrophobicContact CG2-CD1 4.15Å; I1026-R1087 HydrophobicContact CG2-CG 4.05Å; I1026-R1087 WeakPolarHBondContact O-CD 3.45Å; I1026-R1087 PolarHBondContact O-NH1 3.13Å; I1026-R1087 VanDerWaalsContact O-NH1 3.09Å; I1026-L1088 HydrophobicContact CD1-CD2 4.06Å; I1026-L1088 HydrophobicContact CG1-CD2 4.02Å; I1026-L1088 HydrophobicContact CG2-CD2 4.47Å; I1026-W1091 HydrophobicContact CB-CZ3 4.39Å; I1026-W1091 HydrophobicContact CG1-CZ3 3.91Å |
| 1027 | L | 84.9 | Confident | 84.2 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67 | -28.3 | 176 | -74.9 | 171.7 | 0 | 0 | 0 | 113.1 | S1023 A1025 I1081 R1087 | S1023-L1027 WeakPolarHBondContact O-CB 3.15Å; S1023-L1027 VanDerWaalsContact O-CG 3.31Å; S1023-L1027 WeakPolarHBondContact O-CG 3.37Å; S1023-L1027 PolarHBondContact O-N 3.41Å; S1023-L1027 VanDerWaalsContact O-N 3.09Å; A1025-L1027 VanDerWaalsContact C-N 3.33Å; A1025-L1027 PolarHBondContact O-N 3.01Å; L1027-I1081 HydrophobicContact CD2-CG2 4.13Å; L1027-R1087 PolarHBondContact O-NH1 3.07Å |
| 1028 | K | 84.2 | Confident | 84.5 | Confident | 143 Ų | 143 | 64.7 Ų | 64.7 | 62% | 0.622 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -101.5 | -13.4 | -178.7 | -67.8 | 173.3 | -179.1 | 178 | 0 | 115.5 | S1024 A1025 I1026 D1030 | S1024-K1028 WeakPolarHBondContact O-CB 3.24Å; S1024-K1028 WeakPolarHBondContact O-CG 3.47Å; S1024-K1028 PolarHBondContact O-N 3.36Å; A1025-K1028 CarbonylContact O-C 3.44Å; A1025-K1028 PolarHBondContact O-N 3.16Å; A1025-K1028 VanDerWaalsContact O-N 3.15Å; I1026-K1028 VanDerWaalsContact C-N 3.28Å; I1026-K1028 PolarHBondContact O-N 2.79Å; K1028-D1030 HydrophobicContact CB-CB 4.25Å |
| 1029 | M | 84.2 | Confident | 85 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 47.8 | -164.7 | -62 | -178.7 | 177.6 | 0 | 0 | 113 | A1025 H1031 R1087 L1090 W1091 L1236 | A1025-M1029 WeakPolarHBondContact O-CA 3.49Å; A1025-M1029 PolarHBondContact O-N 3.39Å; M1029-H1031 PolarHBondContact O-N 2.63Å; M1029-R1087 HydrophobicContact CE-CG 4.19Å; M1029-L1090 HydrophobicContact CE-CB 4.39Å; M1029-L1090 HydrophobicContact CE-CD2 3.96Å; M1029-L1090 HydrophobicContact CE-CG 3.93Å; M1029-W1091 VanDerWaalsContact C-CZ2 3.46Å; M1029-W1091 HydrophobicContact CB-CD2 3.97Å; M1029-W1091 HydrophobicContact CB-CG 3.91Å; M1029-W1091 HydrophobicContact CE-CB 4.15Å; M1029-W1091 HydrophobicContact CG-CB 4.02Å; M1029-W1091 HydrophobicContact CG-CD2 4.01Å; M1029-W1091 HydrophobicContact CG-CG 3.76Å; M1029-W1091 HydrophobicContact SD-CB 4.1Å; M1029-W1091 HydrophobicContact SD-CG 4.28Å; M1029-L1236 HydrophobicContact CE-CD2 4.16Å; M1029-L1236 HydrophobicContact SD-CD2 3.91Å |
| 1030 | D | 83 | Confident | 85.7 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | trans | -86.4 | 95.5 | -175.1 | -165.7 | -21.2 | 0 | 0 | 0 | 112.8 | A1025 K1028 S1032 I1033 I1034 W1091 | A1025-D1030 HydrophobicContact CB-CB 4.29Å; A1025-D1030 PolarHBondContact O-N 3.24Å; A1025-D1030 VanDerWaalsContact O-N 3.09Å; K1028-D1030 HydrophobicContact CB-CB 4.25Å; D1030-S1032 PolarHBondContact O-N 2.83Å; D1030-S1032 WeakPolarHBondContact OD1-CB 3.35Å; D1030-S1032 PolarHBondContact OD1-N 3.41Å; D1030-S1032 VanDerWaalsContact OD1-N 3.08Å; D1030-S1032 PolarHBondContact OD1-OG 2.96Å; D1030-I1033 HydrophobicContact CB-CD1 4.21Å; D1030-I1033 HydrophobicContact CB-CG1 4.44Å; D1030-I1033 PolarHBondContact O-N 3.18Å; D1030-I1033 VanDerWaalsContact O-N 3.16Å; D1030-I1034 PolarHBondContact O-N 3.19Å; D1030-W1091 VanDerWaalsContact C-CZ2 3.44Å; D1030-W1091 WeakPolarHBondContact O-CZ2 3.47Å | ||
| 1031 | H | 83.1 | Confident | 86 | Confident | 132 Ų | 132 | 55.5 Ų | 55.5 | 61% | 0.611 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -12.2 | -178.5 | 71.1 | -85.2 | 0 | 0 | 0 | 114.4 | M1029 I1033 L1095 | M1029-H1031 PolarHBondContact O-N 2.63Å; H1031-I1033 VanDerWaalsContact C-N 3.29Å; H1031-L1095 HydrophobicContact CB-CD2 3.99Å |
| 1032 | S | 83.4 | Confident | 86.2 | Confident | 93 Ų | 93 | 53 Ų | 53 | 65% | 0.65 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -18.6 | 174.3 | 73.4 | 0 | 0 | 0 | 0 | 112.7 | D1030 | D1030-S1032 PolarHBondContact O-N 2.83Å; D1030-S1032 WeakPolarHBondContact OD1-CB 3.35Å; D1030-S1032 PolarHBondContact OD1-N 3.41Å; D1030-S1032 VanDerWaalsContact OD1-N 3.08Å; D1030-S1032 PolarHBondContact OD1-OG 2.96Å |
| 1033 | I | 84 | Confident | 86.3 | Confident | 63 Ų | 63 | 54.7 Ų | 54.7 | 32% | 0.323 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -42.5 | -177.7 | -57.4 | 176 | 0 | 0 | 0 | 111 | P1017 A1025 D1030 H1031 | P1017-I1033 HydrophobicContact CB-CG2 4.22Å; P1017-I1033 HydrophobicContact CG-CG2 3.96Å; P1017-I1033 WeakPolarHBondContact CG-O 3.45Å; A1025-I1033 HydrophobicContact CB-CB 3.81Å; A1025-I1033 HydrophobicContact CB-CD1 4.16Å; A1025-I1033 HydrophobicContact CB-CG2 3.81Å; D1030-I1033 HydrophobicContact CB-CD1 4.21Å; D1030-I1033 HydrophobicContact CB-CG1 4.44Å; D1030-I1033 PolarHBondContact O-N 3.18Å; D1030-I1033 VanDerWaalsContact O-N 3.16Å; H1031-I1033 VanDerWaalsContact C-N 3.29Å |
| 1034 | I | 83.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -125.3 | 124.8 | 176 | -43.2 | 179.8 | 0 | 0 | 0 | 109.2 | P1017 I1022 A1025 I1026 D1030 I1039 L1042 W1091 | P1017-I1034 HydrophobicContact CG-CG1 4.38Å; I1022-I1034 HydrophobicContact CB-CD1 4.28Å; I1022-I1034 HydrophobicContact CG1-CD1 4.25Å; I1022-I1034 HydrophobicContact CG2-CD1 3.96Å; A1025-I1034 HydrophobicContact CB-CD1 4Å; A1025-I1034 HydrophobicContact CB-CG1 3.96Å; I1026-I1034 HydrophobicContact CG1-CD1 4.17Å; D1030-I1034 PolarHBondContact O-N 3.19Å; I1034-I1039 HydrophobicContact CG2-CG1 4.02Å; I1034-L1042 HydrophobicContact CD1-CD1 4.24Å; I1034-W1091 HydrophobicContact CB-CH2 3.83Å; I1034-W1091 HydrophobicContact CB-CZ3 4.48Å; I1034-W1091 HydrophobicContact CD1-CH2 4.11Å; I1034-W1091 HydrophobicContact CD1-CZ3 4.13Å; I1034-W1091 HydrophobicContact CG1-CH2 4.15Å |
| 1035 | N | 85.8 | Confident | 86.2 | Confident | 90 Ų | 90 | 59 Ų | 59 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | trans | -81.6 | 171.6 | 174.3 | 67.4 | -12.9 | 0 | 0 | 0 | 111.9 | E1037 G1038 I1039 | N1035-E1037 VanDerWaalsContact C-N 3.34Å; N1035-E1037 PolarHBondContact O-N 2.83Å; N1035-G1038 PolarHBondContact O-N 2.89Å; N1035-G1038 PolarHBondContact OD1-N 3.48Å; N1035-I1039 PolarHBondContact O-N 3.42Å | ||
| 1036 | R | 88.3 | Confident | 85.9 | Confident | 114 Ų | 114 | 59 Ų | 59 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -46.2 | -54.2 | 175.6 | -179.6 | -162.9 | 162.3 | 134.8 | -5.6 | 112.4 | G1038 I1039 E1040 L1092 D1096 | R1036-G1038 PolarHBondContact O-N 3.18Å; R1036-I1039 WeakPolarHBondContact O-CB 3.3Å; R1036-I1039 PolarHBondContact O-N 2.9Å; R1036-I1039 VanDerWaalsContact O-N 3.09Å; R1036-E1040 IonicContact NE-OE2 3.9Å; R1036-E1040 PolarHBondContact O-N 3.44Å; R1036-L1092 HydrophobicContact CG-CD1 3.68Å; R1036-D1096 VanDerWaalsContact CD-OD1 3.22Å; R1036-D1096 WeakPolarHBondContact CD-OD1 3.49Å; R1036-D1096 IonicContact CZ-OD1 3.33Å; R1036-D1096 VanDerWaalsContact CZ-OD1 3.31Å; R1036-D1096 IonicContact CZ-OD2 3.58Å; R1036-D1096 IonicContact NE-OD1 2.65Å; R1036-D1096 PolarHBondContact NE-OD1 3.47Å; R1036-D1096 IonicContact NE-OD2 2.69Å; R1036-D1096 IonicContact NH1-OD1 2.89Å; R1036-D1096 PolarHBondContact NH1-OD1 3.42Å; R1036-D1096 IonicContact NH1-OD2 3.12Å; R1036-D1096 PolarHBondContact NH1-OD2 3.34Å; R1036-D1096 VanDerWaalsContact NH1-OD2 3.08Å; R1036-D1096 IonicContact NH2-OD2 2.65Å |
| 1037 | E | 87.3 | Confident | 85.8 | Confident | 104 Ų | 104 | 61.1 Ų | 61.1 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57 | -35.9 | 179.6 | -69.9 | -176.3 | -135.9 | 0 | 0 | 113.2 | N1035 E1040 K1041 | N1035-E1037 VanDerWaalsContact C-N 3.34Å; N1035-E1037 PolarHBondContact O-N 2.83Å; E1037-E1040 PolarHBondContact O-N 3.23Å; E1037-K1041 VanDerWaalsContact O-CB 3.31Å; E1037-K1041 WeakPolarHBondContact O-CB 3.22Å; E1037-K1041 WeakPolarHBondContact O-CD 3.46Å; E1037-K1041 WeakPolarHBondContact O-CG 3.47Å; E1037-K1041 PolarHBondContact O-N 3.46Å; E1037-K1041 IonicContact OE2-NZ 3.24Å; E1037-K1041 PolarHBondContact OE2-NZ 3.45Å |
| 1038 | G | 87.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.4 | -40 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1016 N1035 R1036 L1042 | L1016-G1038 VanDerWaalsContact CD2-CA 3.48Å; N1035-G1038 PolarHBondContact O-N 2.89Å; N1035-G1038 PolarHBondContact OD1-N 3.48Å; R1036-G1038 PolarHBondContact O-N 3.18Å; G1038-L1042 WeakPolarHBondContact O-CB 3.42Å; G1038-L1042 VanDerWaalsContact O-CG 3.23Å; G1038-L1042 WeakPolarHBondContact O-CG 3.36Å; G1038-L1042 PolarHBondContact O-N 2.92Å |
| 1039 | I | 90.2 | Very high | 86 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 174.3 | -62.8 | 158.9 | 0 | 0 | 0 | 110.4 | I1034 N1035 R1036 L1042 L1043 L1088 W1091 L1092 L1095 | I1034-I1039 HydrophobicContact CG2-CG1 4.02Å; N1035-I1039 PolarHBondContact O-N 3.42Å; R1036-I1039 WeakPolarHBondContact O-CB 3.3Å; R1036-I1039 PolarHBondContact O-N 2.9Å; R1036-I1039 VanDerWaalsContact O-N 3.09Å; I1039-L1042 WeakPolarHBondContact O-CB 3.47Å; I1039-L1042 PolarHBondContact O-N 3.19Å; I1039-L1043 HydrophobicContact CG2-CD1 4.15Å; I1039-L1043 PolarHBondContact O-N 3.06Å; I1039-L1088 HydrophobicContact CG2-CB 4.34Å; I1039-L1088 HydrophobicContact CG2-CD2 4.09Å; I1039-W1091 HydrophobicContact CD1-CD2 3.53Å; I1039-W1091 HydrophobicContact CD1-CE3 3.81Å; I1039-W1091 HydrophobicContact CD1-CG 3.95Å; I1039-W1091 HydrophobicContact CD1-CH2 4.18Å; I1039-W1091 HydrophobicContact CD1-CZ2 3.89Å; I1039-W1091 HydrophobicContact CD1-CZ3 4.13Å; I1039-W1091 HydrophobicContact CG1-CD2 4.22Å; I1039-W1091 HydrophobicContact CG1-CE3 3.98Å; I1039-W1091 HydrophobicContact CG1-CH2 4.4Å; I1039-W1091 HydrophobicContact CG1-CZ3 4.08Å; I1039-L1092 HydrophobicContact CG2-CB 3.98Å; I1039-L1092 HydrophobicContact CG2-CD1 4.46Å; I1039-L1095 HydrophobicContact CD1-CD1 3.43Å; I1039-L1095 VanDerWaalsContact CD1-CD1 3.43Å |
| 1040 | E | 89.3 | Confident | 85.9 | Confident | 82 Ų | 82 | 59.4 Ų | 59.4 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 178 | -167.6 | 166.7 | -174.1 | 0 | 0 | 112.1 | R1036 E1037 L1043 T1044 | R1036-E1040 IonicContact NE-OE2 3.9Å; R1036-E1040 PolarHBondContact O-N 3.44Å; E1037-E1040 PolarHBondContact O-N 3.23Å; E1040-L1043 PolarHBondContact O-N 3.24Å; E1040-T1044 WeakPolarHBondContact O-CB 3.3Å; E1040-T1044 WeakPolarHBondContact O-CG2 3.38Å; E1040-T1044 PolarHBondContact O-N 2.87Å; E1040-T1044 PolarHBondContact O-OG1 3.07Å |
| 1041 | K | 86.6 | Confident | 86 | Confident | 68 Ų | 68 | 65 Ų | 65 | 30% | 0.296 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.4 | -36 | 172.8 | -72.8 | 161.8 | -165.7 | 166.5 | 0 | 112.2 | E1037 T1045 M1046 | E1037-K1041 VanDerWaalsContact O-CB 3.31Å; E1037-K1041 WeakPolarHBondContact O-CB 3.22Å; E1037-K1041 WeakPolarHBondContact O-CD 3.46Å; E1037-K1041 WeakPolarHBondContact O-CG 3.47Å; E1037-K1041 PolarHBondContact O-N 3.46Å; E1037-K1041 IonicContact OE2-NZ 3.24Å; E1037-K1041 PolarHBondContact OE2-NZ 3.45Å; K1041-T1045 VanDerWaalsContact O-CB 3.3Å; K1041-T1045 WeakPolarHBondContact O-CB 3.31Å; K1041-T1045 PolarHBondContact O-N 3.39Å; K1041-M1046 PolarHBondContact O-N 2.94Å |
| 1042 | L | 90 | Very high | 86.2 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -63.5 | -49.2 | 172.7 | -75.4 | 166.6 | 0 | 0 | 0 | 111.2 | L1016 I1022 I1026 I1034 G1038 I1039 M1046 L1047 F1074 L1078 L1088 | L1016-L1042 HydrophobicContact CD1-CD2 3.79Å; L1016-L1042 HydrophobicContact CD1-CG 3.99Å; I1022-L1042 HydrophobicContact CG2-CD1 4.37Å; I1026-L1042 HydrophobicContact CD1-CD1 4.21Å; I1034-L1042 HydrophobicContact CD1-CD1 4.24Å; G1038-L1042 WeakPolarHBondContact O-CB 3.42Å; G1038-L1042 VanDerWaalsContact O-CG 3.23Å; G1038-L1042 WeakPolarHBondContact O-CG 3.36Å; G1038-L1042 PolarHBondContact O-N 2.92Å; I1039-L1042 WeakPolarHBondContact O-CB 3.47Å; I1039-L1042 PolarHBondContact O-N 3.19Å; L1042-M1046 HydrophobicContact CD2-CB 4.25Å; L1042-M1046 HydrophobicContact CD2-SD 4.04Å; L1042-M1046 CarbonylContact O-C 3.35Å; L1042-M1046 PolarHBondContact O-N 3.35Å; L1042-L1047 PolarHBondContact O-N 3.31Å; L1042-F1074 HydrophobicContact CD2-CE1 4.34Å; L1042-F1074 HydrophobicContact CD2-CZ 3.92Å; L1042-L1078 HydrophobicContact CD2-CD1 4.06Å; L1042-L1088 HydrophobicContact CB-CD1 4.13Å; L1042-L1088 HydrophobicContact CD1-CD2 4.16Å |
| 1043 | L | 89.2 | Confident | 86.2 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -62.9 | -45.8 | 179.5 | -79.2 | 166.8 | 0 | 0 | 0 | 113.4 | I1039 E1040 L1047 K1085 L1088 E1089 L1092 | I1039-L1043 HydrophobicContact CG2-CD1 4.15Å; I1039-L1043 PolarHBondContact O-N 3.06Å; E1040-L1043 PolarHBondContact O-N 3.24Å; L1043-L1047 HydrophobicContact CD2-CD1 3.9Å; L1043-K1085 HydrophobicContact CD2-CG 4.47Å; L1043-L1088 HydrophobicContact CD1-CB 4.15Å; L1043-L1088 HydrophobicContact CD2-CB 3.66Å; L1043-L1088 HydrophobicContact CD2-CD1 4.19Å; L1043-L1088 HydrophobicContact CG-CB 3.82Å; L1043-L1088 HydrophobicContact CG-CD1 4.28Å; L1043-E1089 HydrophobicContact CD1-CG 4.24Å; L1043-E1089 HydrophobicContact CD2-CG 3.76Å; L1043-L1092 HydrophobicContact CD1-CD2 3.9Å |
| 1044 | T | 86.5 | Confident | 86.3 | Confident | 101 Ų | 101 | 60.6 Ų | 60.6 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | I | π-helix | trans | -79.5 | -36 | -174.9 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | E1040 | E1040-T1044 WeakPolarHBondContact O-CB 3.3Å; E1040-T1044 WeakPolarHBondContact O-CG2 3.38Å; E1040-T1044 PolarHBondContact O-N 2.87Å; E1040-T1044 PolarHBondContact O-OG1 3.07Å |
| 1045 | T | 81.8 | Confident | 86.5 | Confident | 55 Ų | 55 | 62.5 Ų | 62.5 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | I | π-helix | trans | -123.9 | -24.6 | -160.1 | -49.8 | 0 | 0 | 0 | 0 | 114 | R1005 A1008 K1041 | R1005-T1045 PolarHBondContact NH1-O 3.34Å; A1008-T1045 HydrophobicContact CB-CG2 4.33Å; K1041-T1045 VanDerWaalsContact O-CB 3.3Å; K1041-T1045 WeakPolarHBondContact O-CB 3.31Å; K1041-T1045 PolarHBondContact O-N 3.39Å |
| 1046 | M | 82.3 | Confident | 86.5 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -124.6 | 5.7 | -172 | -54.1 | -175.1 | -170.2 | 0 | 0 | 115.2 | I1009 L1016 K1041 L1042 P1048 F1074 L1075 | I1009-M1046 HydrophobicContact CG1-CG 4.41Å; L1016-M1046 HydrophobicContact CD1-CE 3.68Å; L1016-M1046 HydrophobicContact CD1-SD 3.56Å; L1016-M1046 VanDerWaalsContact CD1-SD 3.56Å; L1016-M1046 HydrophobicContact CG-CE 4.48Å; K1041-M1046 PolarHBondContact O-N 2.94Å; L1042-M1046 HydrophobicContact CD2-CB 4.25Å; L1042-M1046 HydrophobicContact CD2-SD 4.04Å; L1042-M1046 CarbonylContact O-C 3.35Å; L1042-M1046 PolarHBondContact O-N 3.35Å; M1046-P1048 VanDerWaalsContact O-CD 3.3Å; M1046-P1048 WeakPolarHBondContact O-CD 3.4Å; M1046-F1074 HydrophobicContact CB-CE1 4.17Å; M1046-F1074 HydrophobicContact CG-CE1 4.48Å; M1046-F1074 HydrophobicContact SD-CD1 4.5Å; M1046-F1074 HydrophobicContact SD-CE1 3.58Å; M1046-F1074 VanDerWaalsContact SD-CE1 3.58Å; M1046-F1074 HydrophobicContact SD-CZ 4.19Å; M1046-L1075 WeakPolarHBondContact O-CD2 3.48Å |
| 1047 | L | 87 | Confident | 86.3 | Confident | 44 Ų | 44 | 58 Ų | 58 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 118.7 | 179.6 | -155.2 | 127.1 | 0 | 0 | 0 | 109 | R1005 L1042 L1043 K1085 L1088 | R1005-L1047 PolarHBondContact NH2-O 3.03Å; L1042-L1047 PolarHBondContact O-N 3.31Å; L1043-L1047 HydrophobicContact CD2-CD1 3.9Å; L1047-K1085 HydrophobicContact CD1-CB 3.86Å; L1047-K1085 HydrophobicContact CD1-CD 4.43Å; L1047-K1085 HydrophobicContact CD1-CG 4.09Å; L1047-K1085 HydrophobicContact CD2-CB 4.33Å; L1047-L1088 HydrophobicContact CD1-CD1 4.46Å |
| 1048 | P | 85.3 | Confident | 86.3 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 137.6 | 178.3 | 25.9 | -32.7 | 0 | 0 | 0 | 110.2 | M1046 L1075 L1078 L1084 | M1046-P1048 VanDerWaalsContact O-CD 3.3Å; M1046-P1048 WeakPolarHBondContact O-CD 3.4Å; P1048-L1075 HydrophobicContact CB-CB 4.17Å; P1048-L1075 HydrophobicContact CB-CD1 4.46Å; P1048-L1075 HydrophobicContact CB-CD2 4.1Å; P1048-L1075 HydrophobicContact CB-CG 4.46Å; P1048-L1078 HydrophobicContact CG-CB 4.21Å; P1048-L1084 HydrophobicContact CG-CD2 3.88Å |
| 1049 | T | 87.1 | Confident | 86.1 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 158.4 | 165.4 | 71.7 | 0 | 0 | 0 | 0 | 110.8 | E1051 E1052 C1053 | T1049-E1051 VanDerWaalsContact C-N 3.31Å; T1049-E1051 PolarHBondContact O-N 3.08Å; T1049-E1052 PolarHBondContact N-OE2 3.44Å; T1049-E1052 PolarHBondContact O-N 3.43Å; T1049-E1052 WeakPolarHBondContact OG1-CB 3.4Å; T1049-E1052 VanDerWaalsContact OG1-CG 3.27Å; T1049-E1052 WeakPolarHBondContact OG1-CG 3.24Å; T1049-E1052 PolarHBondContact OG1-N 3.18Å; T1049-E1052 VanDerWaalsContact OG1-N 3.14Å; T1049-E1052 PolarHBondContact OG1-OE2 3.19Å; T1049-C1053 PolarHBondContact O-N 3.45Å; T1049-C1053 PolarHBondContact O-SG 3.4Å |
| 1050 | D | 81.1 | Confident | 85.7 | Confident | 136 Ų | 136 | 64.9 Ų | 64.9 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.5 | -40 | 177.2 | -55.9 | -56.6 | 0 | 0 | 0 | 110.9 | E1052 C1053 E1054 | D1050-E1052 PolarHBondContact O-N 2.93Å; D1050-C1053 WeakPolarHBondContact O-CB 3.17Å; D1050-C1053 PolarHBondContact O-N 2.85Å; D1050-C1053 VanDerWaalsContact O-N 3.14Å; D1050-E1054 PolarHBondContact O-N 2.79Å |
| 1051 | E | 85.4 | Confident | 85.4 | Confident | 164 Ų | 164 | 64.7 Ų | 64.7 | 77% | 0.766 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.6 | -44.3 | 174 | -62.8 | 179.5 | -177.9 | 0 | 0 | 112.7 | T1049 C1053 A1055 | T1049-E1051 VanDerWaalsContact C-N 3.31Å; T1049-E1051 PolarHBondContact O-N 3.08Å; E1051-C1053 VanDerWaalsContact C-N 3.34Å; E1051-A1055 VanDerWaalsContact O-CB 3.27Å; E1051-A1055 WeakPolarHBondContact O-CB 3.39Å; E1051-A1055 PolarHBondContact O-N 3.1Å |
| 1052 | E | 87 | Confident | 85.3 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 15% | 0.154 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 174.6 | -74.9 | 173.4 | 141.6 | 0 | 0 | 111.1 | L1001 R1005 T1049 D1050 I1056 L1075 | L1001-E1052 HydrophobicContact CD2-CB 4.25Å; L1001-E1052 HydrophobicContact CD2-CG 3.83Å; L1001-E1052 WeakPolarHBondContact CD2-OE1 3.48Å; R1005-E1052 WeakPolarHBondContact CG-OE1 3.46Å; R1005-E1052 IonicContact CZ-OE1 2.68Å; R1005-E1052 IonicContact CZ-OE2 3.17Å; R1005-E1052 IonicContact NE-OE1 3.52Å; R1005-E1052 PolarHBondContact NE-OE1 3.45Å; R1005-E1052 IonicContact NE-OE2 2.69Å; R1005-E1052 VanDerWaalsContact NH2-CD 3.33Å; R1005-E1052 IonicContact NH2-OE1 3.53Å; R1005-E1052 PolarHBondContact NH2-OE1 3.16Å; R1005-E1052 VanDerWaalsContact NH2-OE1 3.15Å; R1005-E1052 IonicContact NH2-OE2 3.92Å; R1005-E1052 PolarHBondContact NH2-OE2 3Å; T1049-E1052 PolarHBondContact N-OE2 3.44Å; T1049-E1052 PolarHBondContact O-N 3.43Å; T1049-E1052 WeakPolarHBondContact OG1-CB 3.4Å; T1049-E1052 VanDerWaalsContact OG1-CG 3.27Å; T1049-E1052 WeakPolarHBondContact OG1-CG 3.24Å; T1049-E1052 PolarHBondContact OG1-N 3.18Å; T1049-E1052 VanDerWaalsContact OG1-N 3.14Å; T1049-E1052 PolarHBondContact OG1-OE2 3.19Å; D1050-E1052 PolarHBondContact O-N 2.93Å; E1052-I1056 WeakPolarHBondContact O-CB 3.42Å; E1052-I1056 VanDerWaalsContact O-CD1 3.31Å; E1052-I1056 WeakPolarHBondContact O-CD1 3.26Å; E1052-I1056 WeakPolarHBondContact O-CG1 3.23Å; E1052-I1056 PolarHBondContact O-N 3.22Å; E1052-L1075 HydrophobicContact CB-CD1 4.39Å |
| 1053 | C | 84.1 | Confident | 84.6 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 9% | 0.088 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66 | -46.5 | 179.8 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | T1049 D1050 E1051 I1056 M1057 S1079 | T1049-C1053 PolarHBondContact O-N 3.45Å; T1049-C1053 PolarHBondContact O-SG 3.4Å; D1050-C1053 WeakPolarHBondContact O-CB 3.17Å; D1050-C1053 PolarHBondContact O-N 2.85Å; D1050-C1053 VanDerWaalsContact O-N 3.14Å; E1051-C1053 VanDerWaalsContact C-N 3.34Å; C1053-I1056 PolarHBondContact O-N 3.14Å; C1053-M1057 WeakPolarHBondContact O-CB 3.28Å; C1053-M1057 WeakPolarHBondContact O-CG 3.27Å; C1053-M1057 PolarHBondContact O-N 3.29Å; C1053-S1079 WeakPolarHBondContact SG-CB 3.26Å; C1053-S1079 PolarHBondContact SG-OG 2.96Å; C1053-S1079 VanDerWaalsContact SG-OG 3.38Å |
| 1054 | E | 86.7 | Confident | 83.7 | Confident | 148 Ų | 148 | 77.3 Ų | 77.3 | 69% | 0.692 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 176.9 | -73.4 | -168.6 | 177.3 | 0 | 0 | 111.5 | D1050 I1056 M1057 K1058 | D1050-E1054 PolarHBondContact O-N 2.79Å; E1054-I1056 PolarHBondContact O-N 3.08Å; E1054-M1057 PolarHBondContact O-N 3.12Å; E1054-K1058 WeakPolarHBondContact O-CB 3.35Å; E1054-K1058 PolarHBondContact O-N 2.85Å |
| 1055 | A | 86.9 | Confident | 82.9 | Confident | 43 Ų | 43 | 75.9 Ų | 75.9 | 36% | 0.355 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1000 E1051 A1059 | V1000-A1055 HydrophobicContact CG1-CB 3.86Å; E1051-A1055 VanDerWaalsContact O-CB 3.27Å; E1051-A1055 WeakPolarHBondContact O-CB 3.39Å; E1051-A1055 PolarHBondContact O-N 3.1Å; A1055-A1059 VanDerWaalsContact O-CB 3.32Å; A1055-A1059 WeakPolarHBondContact O-CB 3.47Å; A1055-A1059 PolarHBondContact O-N 3.03Å |
| 1056 | I | 85.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 178.1 | -67.9 | 163 | 0 | 0 | 0 | 111.5 | V1000 L1001 E1052 C1053 E1054 K1060 L1068 E1072 L1075 V1076 | V1000-I1056 HydrophobicContact CB-CG1 3.97Å; V1000-I1056 HydrophobicContact CG1-CG1 4.2Å; V1000-I1056 HydrophobicContact CG2-CG1 4.31Å; L1001-I1056 HydrophobicContact CD1-CD1 4.49Å; L1001-I1056 HydrophobicContact CD2-CD1 4.27Å; L1001-I1056 HydrophobicContact CG-CD1 4.28Å; E1052-I1056 WeakPolarHBondContact O-CB 3.42Å; E1052-I1056 VanDerWaalsContact O-CD1 3.31Å; E1052-I1056 WeakPolarHBondContact O-CD1 3.26Å; E1052-I1056 WeakPolarHBondContact O-CG1 3.23Å; E1052-I1056 PolarHBondContact O-N 3.22Å; C1053-I1056 PolarHBondContact O-N 3.14Å; E1054-I1056 PolarHBondContact O-N 3.08Å; I1056-K1060 WeakPolarHBondContact O-CB 3.18Å; I1056-K1060 PolarHBondContact O-N 2.69Å; I1056-L1068 HydrophobicContact CG2-CD2 3.61Å; I1056-E1072 HydrophobicContact CD1-CB 4.07Å; I1056-E1072 HydrophobicContact CD1-CG 3.99Å; I1056-E1072 HydrophobicContact CG1-CB 4.26Å; I1056-E1072 HydrophobicContact CG1-CG 3.97Å; I1056-E1072 HydrophobicContact CG2-CB 4.11Å; I1056-L1075 HydrophobicContact CD1-CB 4.35Å; I1056-L1075 HydrophobicContact CD1-CD1 4.34Å; I1056-V1076 HydrophobicContact CB-CG2 4.3Å; I1056-V1076 HydrophobicContact CG2-CG2 3.46Å; I1056-V1076 VanDerWaalsContact CG2-CG2 3.46Å |
| 1057 | M | 84.6 | Confident | 82.7 | Confident | 107 Ų | 107 | 78.8 Ų | 78.8 | 53% | 0.527 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 178.3 | -69.6 | -154.8 | -162.6 | 0 | 0 | 112.3 | C1053 E1054 K1060 A1061 | C1053-M1057 WeakPolarHBondContact O-CB 3.28Å; C1053-M1057 WeakPolarHBondContact O-CG 3.27Å; C1053-M1057 PolarHBondContact O-N 3.29Å; E1054-M1057 PolarHBondContact O-N 3.12Å; M1057-K1060 WeakPolarHBondContact O-CB 3.46Å; M1057-K1060 PolarHBondContact O-N 3.33Å; M1057-A1061 PolarHBondContact O-N 3.31Å |
| 1058 | K | 86.9 | Confident | 82.5 | Confident | 128 Ų | 128 | 77.8 Ų | 77.8 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.7 | -50.9 | 174.3 | 179 | 178 | 171.4 | -179.4 | 0 | 111.5 | E1054 K1060 A1061 E1062 | E1054-K1058 WeakPolarHBondContact O-CB 3.35Å; E1054-K1058 PolarHBondContact O-N 2.85Å; K1058-K1060 PolarHBondContact O-N 3.48Å; K1058-A1061 PolarHBondContact O-N 2.9Å; K1058-E1062 WeakPolarHBondContact CE-OE1 3.37Å; K1058-E1062 HydrophobicContact CG-CG 4.43Å; K1058-E1062 IonicContact NZ-OE1 3.64Å; K1058-E1062 WeakPolarHBondContact O-CG 3.41Å; K1058-E1062 PolarHBondContact O-N 2.79Å |
| 1059 | A | 83.7 | Confident | 82.5 | Confident | 16 Ų | 16 | 77.2 Ų | 77.2 | 13% | 0.132 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60 | -35.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I998 V1000 A1055 Q1063 | I998-A1059 HydrophobicContact CG2-CB 3.67Å; V1000-A1059 HydrophobicContact CG2-CB 3.64Å; A1055-A1059 VanDerWaalsContact O-CB 3.32Å; A1055-A1059 WeakPolarHBondContact O-CB 3.47Å; A1055-A1059 PolarHBondContact O-N 3.03Å; A1059-Q1063 PolarHBondContact O-N 2.96Å; A1059-Q1063 VanDerWaalsContact O-N 3.09Å |
| 1060 | K | 83.4 | Confident | 82.5 | Confident | 106 Ų | 106 | 78.5 Ų | 78.5 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 172.8 | -167.4 | -162.3 | 177.5 | -165.9 | 0 | 112.9 | I998 I1056 M1057 K1058 Q1063 D1064 L1068 | I998-K1060 HydrophobicContact CD1-CB 4.49Å; I1056-K1060 WeakPolarHBondContact O-CB 3.18Å; I1056-K1060 PolarHBondContact O-N 2.69Å; M1057-K1060 WeakPolarHBondContact O-CB 3.46Å; M1057-K1060 PolarHBondContact O-N 3.33Å; K1058-K1060 PolarHBondContact O-N 3.48Å; K1060-Q1063 CarbonylContact O-C 3.43Å; K1060-D1064 PolarHBondContact O-N 3.03Å; K1060-L1068 HydrophobicContact CD-CD1 4.22Å; K1060-L1068 HydrophobicContact CG-CD1 4.46Å |
| 1061 | A | 83 | Confident | 82.9 | Confident | 78 Ų | 78 | 72 Ų | 72 | 65% | 0.645 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -73.9 | -33.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1057 K1058 | M1057-A1061 PolarHBondContact O-N 3.31Å; K1058-A1061 PolarHBondContact O-N 2.9Å |
| 1062 | E | 82.7 | Confident | 83.1 | Confident | 134 Ų | 134 | 64.3 Ų | 64.3 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -74.5 | -24.1 | 176.4 | -71.1 | 178.1 | 171.7 | 0 | 0 | 113.2 | K1058 | K1058-E1062 WeakPolarHBondContact CE-OE1 3.37Å; K1058-E1062 HydrophobicContact CG-CG 4.43Å; K1058-E1062 IonicContact NZ-OE1 3.64Å; K1058-E1062 WeakPolarHBondContact O-CG 3.41Å; K1058-E1062 PolarHBondContact O-N 2.79Å |
| 1063 | Q | 76.8 | Confident | 83.1 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 44.7 | -178.7 | -57.8 | -173.6 | 27.5 | 0 | 0 | 112 | I998 A1059 K1060 G1065 L1066 | I998-Q1063 HydrophobicContact CD1-CB 3.87Å; I998-Q1063 HydrophobicContact CG1-CB 4.26Å; A1059-Q1063 PolarHBondContact O-N 2.96Å; A1059-Q1063 VanDerWaalsContact O-N 3.09Å; K1060-Q1063 CarbonylContact O-C 3.43Å; Q1063-G1065 PolarHBondContact O-N 3.39Å; Q1063-L1066 HydrophobicContact CB-CD1 4.32Å; Q1063-L1066 PolarHBondContact O-N 2.8Å; Q1063-L1066 VanDerWaalsContact O-N 3.11Å |
| 1064 | D | 69.4 | Low | 83.4 | Confident | 145 Ų | 145 | 66.7 Ų | 66.7 | 78% | 0.775 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 129.3 | -174.2 | -158.7 | 10.7 | 0 | 0 | 0 | 111.8 | K1060 | K1060-D1064 PolarHBondContact O-N 3.03Š|
| 1065 | G | 70.6 | Confident | 83.5 | Confident | 71 Ų | 71 | 59.7 Ų | 59.7 | 73% | 0.732 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | -10.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q1063 | Q1063-G1065 PolarHBondContact O-N 3.39Š|
| 1066 | L | 77.8 | Confident | 83.5 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -94.1 | 138.3 | 172.4 | -64.9 | -175.6 | 0 | 0 | 0 | 112.7 | K996 I998 Q1063 | K996-L1066 HydrophobicContact CB-CD1 3.75Å; K996-L1066 HydrophobicContact CB-CD2 4.16Å; K996-L1066 HydrophobicContact CD-CD1 4.47Å; I998-L1066 HydrophobicContact CD1-CB 4.02Å; I998-L1066 WeakPolarHBondContact CD1-O 3.28Å; I998-L1066 HydrophobicContact CG1-CB 3.76Å; Q1063-L1066 HydrophobicContact CB-CD1 4.32Å; Q1063-L1066 PolarHBondContact O-N 2.8Å; Q1063-L1066 VanDerWaalsContact O-N 3.11Å |
| 1067 | P | 80.5 | Confident | 83.6 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 38% | 0.383 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 142.9 | 178.1 | 29.4 | -33.5 | 0 | 0 | 0 | 112.3 | V995 K997 I998 | V995-P1067 HydrophobicContact CG1-CG 3.66Å; K997-P1067 CarbonylContact C-O 3.6Å; K997-P1067 WeakPolarHBondContact CA-O 3.36Å; K997-P1067 HydrophobicContact CG-CG 4.41Å; I998-P1067 PolarHBondContact N-O 3.48Å |
| 1068 | L | 84.4 | Confident | 83.8 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 12% | 0.12 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -66.7 | 155.9 | 175.6 | -73.2 | 154.4 | 0 | 0 | 0 | 113 | I998 I1056 K1060 E1072 Q1073 | I998-L1068 HydrophobicContact CB-CD2 4.07Å; I998-L1068 HydrophobicContact CG2-CD2 4.21Å; I1056-L1068 HydrophobicContact CG2-CD2 3.61Å; K1060-L1068 HydrophobicContact CD-CD1 4.22Å; K1060-L1068 HydrophobicContact CG-CD1 4.46Å; L1068-E1072 HydrophobicContact CB-CB 4.32Å; L1068-E1072 HydrophobicContact CD2-CB 3.99Å; L1068-Q1073 HydrophobicContact CB-CB 4.25Å |
| 1069 | G | 85.8 | Confident | 83.7 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 161.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I998 E1072 Q1073 | I998-G1069 PolarHBondContact O-N 3.28Å; G1069-E1072 VanDerWaalsContact CA-OE2 3.26Å; G1069-E1072 WeakPolarHBondContact CA-OE2 3.45Å; G1069-E1072 PolarHBondContact O-N 3.19Å; G1069-Q1073 VanDerWaalsContact O-CB 3.32Å; G1069-Q1073 WeakPolarHBondContact O-CB 3.48Å; G1069-Q1073 PolarHBondContact O-N 3.49Å |
| 1070 | Q | 86.9 | Confident | 83.9 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 43% | 0.425 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.5 | -33.4 | -172.4 | -174.2 | 61.4 | 60.8 | 0 | 0 | 112.6 | F1074 | Q1070-F1074 WeakPolarHBondContact O-CB 3.43Å; Q1070-F1074 PolarHBondContact O-N 3.18Å |
| 1071 | A | 88.3 | Confident | 84 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -75.7 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1001 I1009 F1074 L1075 | L1001-A1071 HydrophobicContact CD1-CB 3.74Å; I1009-A1071 HydrophobicContact CB-CB 3.96Å; I1009-A1071 HydrophobicContact CD1-CB 4.26Å; I1009-A1071 HydrophobicContact CG2-CB 3.74Å; A1071-F1074 WeakPolarHBondContact O-CA 3.29Å; A1071-F1074 WeakPolarHBondContact O-CB 3.49Å; A1071-F1074 PolarHBondContact O-N 3.36Å; A1071-F1074 VanDerWaalsContact O-N 3.08Å; A1071-L1075 PolarHBondContact O-N 3.37Å |
| 1072 | E | 89.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 176.7 | -68.4 | 78.3 | 178.8 | 0 | 0 | 111.6 | E999 V1000 L1001 I1056 L1068 G1069 F1074 L1075 V1076 | E999-E1072 WeakPolarHBondContact CA-OE1 3.45Å; V1000-E1072 HydrophobicContact CB-CG 4.33Å; V1000-E1072 PolarHBondContact N-OE1 2.99Å; L1001-E1072 HydrophobicContact CD1-CG 4.04Å; L1001-E1072 HydrophobicContact CG-CG 4.09Å; L1001-E1072 PolarHBondContact N-OE1 2.98Å; I1056-E1072 HydrophobicContact CD1-CB 4.07Å; I1056-E1072 HydrophobicContact CD1-CG 3.99Å; I1056-E1072 HydrophobicContact CG1-CB 4.26Å; I1056-E1072 HydrophobicContact CG1-CG 3.97Å; I1056-E1072 HydrophobicContact CG2-CB 4.11Å; L1068-E1072 HydrophobicContact CB-CB 4.32Å; L1068-E1072 HydrophobicContact CD2-CB 3.99Å; G1069-E1072 VanDerWaalsContact CA-OE2 3.26Å; G1069-E1072 WeakPolarHBondContact CA-OE2 3.45Å; G1069-E1072 PolarHBondContact O-N 3.19Å; E1072-F1074 VanDerWaalsContact C-N 3.25Å; E1072-F1074 PolarHBondContact O-N 3.36Å; E1072-L1075 PolarHBondContact O-N 3.29Å; E1072-V1076 WeakPolarHBondContact O-CB 3.41Å; E1072-V1076 WeakPolarHBondContact O-CG2 3.23Å; E1072-V1076 PolarHBondContact O-N 3.26Å |
| 1073 | Q | 88.3 | Confident | 84.4 | Confident | 97 Ų | 97 | 48.4 Ų | 48.4 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -34.3 | 174 | -179.3 | 172.6 | 93.6 | 0 | 0 | 112 | L1068 G1069 T1077 | L1068-Q1073 HydrophobicContact CB-CB 4.25Å; G1069-Q1073 VanDerWaalsContact O-CB 3.32Å; G1069-Q1073 WeakPolarHBondContact O-CB 3.48Å; G1069-Q1073 PolarHBondContact O-N 3.49Å; Q1073-T1077 WeakPolarHBondContact O-CB 3.17Å; Q1073-T1077 PolarHBondContact O-N 2.91Å; Q1073-T1077 VanDerWaalsContact O-N 3.08Å; Q1073-T1077 PolarHBondContact O-OG1 3.42Å |
| 1074 | F | 89.3 | Confident | 85 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.4 | -47.2 | 176.2 | 180 | -116.4 | 0 | 0 | 0 | 112.4 | I1009 L1013 P1019 I1022 L1042 M1046 Q1070 A1071 E1072 V1076 T1077 L1078 | I1009-F1074 HydrophobicContact CG2-CD1 3.75Å; I1009-F1074 HydrophobicContact CG2-CE1 4.46Å; L1013-F1074 HydrophobicContact CD1-CB 4.08Å; L1013-F1074 HydrophobicContact CD1-CD1 4.19Å; L1013-F1074 HydrophobicContact CD1-CG 4.07Å; L1013-F1074 HydrophobicContact CD2-CD1 4Å; L1013-F1074 HydrophobicContact CD2-CD2 3.81Å; L1013-F1074 HydrophobicContact CD2-CE1 3.99Å; L1013-F1074 HydrophobicContact CD2-CE2 3.82Å; L1013-F1074 HydrophobicContact CD2-CG 3.89Å; L1013-F1074 HydrophobicContact CD2-CZ 3.89Å; L1013-F1074 HydrophobicContact CG-CD1 4.28Å; L1013-F1074 HydrophobicContact CG-CE1 4.48Å; L1013-F1074 HydrophobicContact CG-CG 4.42Å; P1019-F1074 HydrophobicContact CB-CD2 3.84Å; P1019-F1074 HydrophobicContact CB-CE2 4.29Å; P1019-F1074 HydrophobicContact CG-CD2 3.83Å; P1019-F1074 HydrophobicContact CG-CE2 4.37Å; I1022-F1074 HydrophobicContact CD1-CE2 3.75Å; I1022-F1074 HydrophobicContact CD1-CZ 4Å; L1042-F1074 HydrophobicContact CD2-CE1 4.34Å; L1042-F1074 HydrophobicContact CD2-CZ 3.92Å; M1046-F1074 HydrophobicContact CB-CE1 4.17Å; M1046-F1074 HydrophobicContact CG-CE1 4.48Å; M1046-F1074 HydrophobicContact SD-CD1 4.5Å; M1046-F1074 HydrophobicContact SD-CE1 3.58Å; M1046-F1074 VanDerWaalsContact SD-CE1 3.58Å; M1046-F1074 HydrophobicContact SD-CZ 4.19Å; Q1070-F1074 WeakPolarHBondContact O-CB 3.43Å; Q1070-F1074 PolarHBondContact O-N 3.18Å; A1071-F1074 WeakPolarHBondContact O-CA 3.29Å; A1071-F1074 WeakPolarHBondContact O-CB 3.49Å; A1071-F1074 PolarHBondContact O-N 3.36Å; A1071-F1074 VanDerWaalsContact O-N 3.08Å; E1072-F1074 VanDerWaalsContact C-N 3.25Å; E1072-F1074 PolarHBondContact O-N 3.36Å; F1074-V1076 VanDerWaalsContact C-N 3.34Å; F1074-V1076 PolarHBondContact O-N 3.09Å; F1074-T1077 CarbonylContact O-C 3.59Å; F1074-T1077 WeakPolarHBondContact O-CA 3.18Å; F1074-T1077 WeakPolarHBondContact O-CB 3.34Å; F1074-T1077 PolarHBondContact O-N 3.2Å; F1074-L1078 HydrophobicContact CD1-CD1 4.22Å; F1074-L1078 HydrophobicContact CD2-CG 4.49Å; F1074-L1078 HydrophobicContact CE1-CD1 3.53Å; F1074-L1078 HydrophobicContact CE1-CG 4.17Å; F1074-L1078 HydrophobicContact CE2-CD1 4.22Å; F1074-L1078 HydrophobicContact CE2-CD2 4.27Å; F1074-L1078 HydrophobicContact CE2-CG 4.02Å; F1074-L1078 HydrophobicContact CZ-CD1 3.55Å; F1074-L1078 HydrophobicContact CZ-CD2 4.2Å; F1074-L1078 HydrophobicContact CZ-CG 3.87Å; F1074-L1078 PolarHBondContact O-N 3.06Å |
| 1075 | L | 89.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 176.5 | -66.2 | -166.2 | 0 | 0 | 0 | 111.7 | L1001 I1009 M1046 P1048 E1052 I1056 A1071 E1072 T1077 L1078 S1079 | L1001-L1075 HydrophobicContact CD1-CD1 3.76Å; L1001-L1075 HydrophobicContact CD1-CG 4.34Å; L1001-L1075 HydrophobicContact CD2-CD1 3.83Å; L1001-L1075 HydrophobicContact CG-CD1 4.4Å; I1009-L1075 HydrophobicContact CD1-CD1 3.96Å; I1009-L1075 HydrophobicContact CD1-CD2 3.89Å; I1009-L1075 HydrophobicContact CD1-CG 4.02Å; M1046-L1075 WeakPolarHBondContact O-CD2 3.48Å; P1048-L1075 HydrophobicContact CB-CB 4.17Å; P1048-L1075 HydrophobicContact CB-CD1 4.46Å; P1048-L1075 HydrophobicContact CB-CD2 4.1Å; P1048-L1075 HydrophobicContact CB-CG 4.46Å; E1052-L1075 HydrophobicContact CB-CD1 4.39Å; I1056-L1075 HydrophobicContact CD1-CB 4.35Å; I1056-L1075 HydrophobicContact CD1-CD1 4.34Å; A1071-L1075 PolarHBondContact O-N 3.37Å; E1072-L1075 PolarHBondContact O-N 3.29Å; L1075-T1077 VanDerWaalsContact C-N 3.26Å; L1075-T1077 PolarHBondContact O-N 3.44Å; L1075-L1078 PolarHBondContact O-N 2.82Å; L1075-L1078 VanDerWaalsContact O-N 3.13Å; L1075-S1079 PolarHBondContact O-N 2.91Å; L1075-S1079 PolarHBondContact O-OG 3.33Å; L1075-S1079 VanDerWaalsContact O-OG 3.13Å |
| 1076 | V | 86.6 | Confident | 87.1 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 22% | 0.218 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -30.8 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 112.5 | I1056 E1072 F1074 | I1056-V1076 HydrophobicContact CB-CG2 4.3Å; I1056-V1076 HydrophobicContact CG2-CG2 3.46Å; I1056-V1076 VanDerWaalsContact CG2-CG2 3.46Å; E1072-V1076 WeakPolarHBondContact O-CB 3.41Å; E1072-V1076 WeakPolarHBondContact O-CG2 3.23Å; E1072-V1076 PolarHBondContact O-N 3.26Å; F1074-V1076 VanDerWaalsContact C-N 3.34Å; F1074-V1076 PolarHBondContact O-N 3.09Å |
| 1077 | T | 87 | Confident | 87.8 | Confident | 44 Ų | 44 | 38 Ų | 38 | 27% | 0.27 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -74.2 | -31.5 | 175.2 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | S1023 Q1073 F1074 L1075 | S1023-T1077 WeakPolarHBondContact OG-CG2 3.45Å; Q1073-T1077 WeakPolarHBondContact O-CB 3.17Å; Q1073-T1077 PolarHBondContact O-N 2.91Å; Q1073-T1077 VanDerWaalsContact O-N 3.08Å; Q1073-T1077 PolarHBondContact O-OG1 3.42Å; F1074-T1077 CarbonylContact O-C 3.59Å; F1074-T1077 WeakPolarHBondContact O-CA 3.18Å; F1074-T1077 WeakPolarHBondContact O-CB 3.34Å; F1074-T1077 PolarHBondContact O-N 3.2Å; L1075-T1077 VanDerWaalsContact C-N 3.26Å; L1075-T1077 PolarHBondContact O-N 3.44Å |
| 1078 | L | 88.2 | Confident | 88.4 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -78.5 | -43 | 175.4 | -76.5 | -173.1 | 0 | 0 | 0 | 113.4 | I1022 I1026 L1042 P1048 F1074 L1075 A1080 I1081 L1084 | I1022-L1078 HydrophobicContact CG2-CD2 4.01Å; I1026-L1078 HydrophobicContact CD1-CD2 3.97Å; L1042-L1078 HydrophobicContact CD2-CD1 4.06Å; P1048-L1078 HydrophobicContact CG-CB 4.21Å; F1074-L1078 HydrophobicContact CD1-CD1 4.22Å; F1074-L1078 HydrophobicContact CD2-CG 4.49Å; F1074-L1078 HydrophobicContact CE1-CD1 3.53Å; F1074-L1078 HydrophobicContact CE1-CG 4.17Å; F1074-L1078 HydrophobicContact CE2-CD1 4.22Å; F1074-L1078 HydrophobicContact CE2-CD2 4.27Å; F1074-L1078 HydrophobicContact CE2-CG 4.02Å; F1074-L1078 HydrophobicContact CZ-CD1 3.55Å; F1074-L1078 HydrophobicContact CZ-CD2 4.2Å; F1074-L1078 HydrophobicContact CZ-CG 3.87Å; F1074-L1078 PolarHBondContact O-N 3.06Å; L1075-L1078 PolarHBondContact O-N 2.82Å; L1075-L1078 VanDerWaalsContact O-N 3.13Å; L1078-A1080 PolarHBondContact O-N 2.73Å; L1078-I1081 HydrophobicContact CD2-CD1 4.09Å; L1078-I1081 VanDerWaalsContact O-CB 3.26Å; L1078-I1081 WeakPolarHBondContact O-CB 3.39Å; L1078-I1081 WeakPolarHBondContact O-CG1 3.25Å; L1078-I1081 PolarHBondContact O-N 3.39Å; L1078-L1084 HydrophobicContact CB-CD2 3.89Å |
| 1079 | S | 86.2 | Confident | 88.9 | Confident | 41 Ų | 41 | 36.7 Ų | 36.7 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.2 | -14.7 | -178 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | C1053 L1075 I1081 | C1053-S1079 WeakPolarHBondContact SG-CB 3.26Å; C1053-S1079 PolarHBondContact SG-OG 2.96Å; C1053-S1079 VanDerWaalsContact SG-OG 3.38Å; L1075-S1079 PolarHBondContact O-N 2.91Å; L1075-S1079 PolarHBondContact O-OG 3.33Å; L1075-S1079 VanDerWaalsContact O-OG 3.13Å; S1079-I1081 PolarHBondContact O-N 3.18Å |
| 1080 | A | 86.5 | Confident | 89.3 | Confident | 86 Ų | 86 | 36.6 Ų | 36.6 | 71% | 0.711 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -7.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1078 | L1078-A1080 PolarHBondContact O-N 2.73Š|
| 1081 | I | 86.6 | Confident | 89.6 | Confident | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -94 | 114.5 | 177.9 | -54.6 | 170.8 | 0 | 0 | 0 | 109.4 | I1026 L1027 L1078 S1079 H1083 L1084 | I1026-I1081 HydrophobicContact CB-CD1 4.3Å; I1026-I1081 HydrophobicContact CD1-CD1 4.08Å; I1026-I1081 HydrophobicContact CG2-CD1 4.23Å; I1026-I1081 HydrophobicContact CG2-CG2 4.12Å; L1027-I1081 HydrophobicContact CD2-CG2 4.13Å; L1078-I1081 HydrophobicContact CD2-CD1 4.09Å; L1078-I1081 VanDerWaalsContact O-CB 3.26Å; L1078-I1081 WeakPolarHBondContact O-CB 3.39Å; L1078-I1081 WeakPolarHBondContact O-CG1 3.25Å; L1078-I1081 PolarHBondContact O-N 3.39Å; S1079-I1081 PolarHBondContact O-N 3.18Å; I1081-H1083 PolarHBondContact O-N 3.05Å; I1081-L1084 HydrophobicContact CB-CD1 4.31Å; I1081-L1084 HydrophobicContact CD1-CD1 4.14Å; I1081-L1084 HydrophobicContact CG2-CD1 4.35Å; I1081-L1084 PolarHBondContact O-N 2.82Å |
| 1082 | S | 85.3 | Confident | 89.8 | Confident | 69 Ų | 69 | 33.9 Ų | 33.9 | 48% | 0.483 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 134.9 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | L1084 | S1082-L1084 PolarHBondContact O-N 3.3Š|
| 1083 | H | 88.1 | Confident | 90.1 | Very high | 87 Ų | 87 | 34.7 Ų | 34.7 | 40% | 0.403 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 38 | 180 | -50 | -73.9 | 0 | 0 | 0 | 114 | I1081 K1085 P1086 R1087 I1223 | I1081-H1083 PolarHBondContact O-N 3.05Å; H1083-K1085 VanDerWaalsContact C-N 3.33Å; H1083-K1085 PolarHBondContact O-N 3.3Å; H1083-P1086 HydrophobicContact CB-CB 4.37Å; H1083-P1086 HydrophobicContact CB-CG 4.32Å; H1083-P1086 VanDerWaalsContact O-CD 3.31Å; H1083-P1086 WeakPolarHBondContact O-CD 3.34Å; H1083-R1087 VanDerWaalsContact O-CB 3.27Å; H1083-R1087 WeakPolarHBondContact O-CB 3.43Å; H1083-R1087 PolarHBondContact O-N 3.4Å; H1083-I1223 HydrophobicContact CB-CG1 3.91Å |
| 1084 | L | 90.4 | Very high | 90.4 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -44.2 | -51.2 | -176.7 | 176.4 | 62.9 | 0 | 0 | 0 | 113.8 | I1026 P1048 L1078 I1081 S1082 R1087 L1088 | I1026-L1084 HydrophobicContact CD1-CD1 4.11Å; I1026-L1084 HydrophobicContact CG2-CD1 4.15Å; P1048-L1084 HydrophobicContact CG-CD2 3.88Å; L1078-L1084 HydrophobicContact CB-CD2 3.89Å; I1081-L1084 HydrophobicContact CB-CD1 4.31Å; I1081-L1084 HydrophobicContact CD1-CD1 4.14Å; I1081-L1084 HydrophobicContact CG2-CD1 4.35Å; I1081-L1084 PolarHBondContact O-N 2.82Å; S1082-L1084 PolarHBondContact O-N 3.3Å; L1084-R1087 PolarHBondContact O-N 3.38Å; L1084-L1088 HydrophobicContact CD1-CD1 3.8Å; L1084-L1088 HydrophobicContact CD1-CG 4.1Å; L1084-L1088 HydrophobicContact CG-CD1 4.03Å; L1084-L1088 WeakPolarHBondContact O-CG 3.36Å; L1084-L1088 PolarHBondContact O-N 2.65Å |
| 1085 | K | 92 | Very high | 90.5 | Very high | 103 Ų | 103 | 36.8 Ų | 36.8 | 45% | 0.448 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.6 | -60.7 | -179.3 | 175.2 | 173 | 175.3 | -178.5 | 0 | 112.2 | L1043 L1047 H1083 R1087 L1088 E1089 | L1043-K1085 HydrophobicContact CD2-CG 4.47Å; L1047-K1085 HydrophobicContact CD1-CB 3.86Å; L1047-K1085 HydrophobicContact CD1-CD 4.43Å; L1047-K1085 HydrophobicContact CD1-CG 4.09Å; L1047-K1085 HydrophobicContact CD2-CB 4.33Å; H1083-K1085 VanDerWaalsContact C-N 3.33Å; H1083-K1085 PolarHBondContact O-N 3.3Å; K1085-R1087 PolarHBondContact O-N 3.3Å; K1085-R1087 VanDerWaalsContact O-N 3.11Å; K1085-L1088 PolarHBondContact O-N 3.28Å; K1085-E1089 WeakPolarHBondContact CE-OE1 3.44Å; K1085-E1089 WeakPolarHBondContact CE-OE2 3.3Å; K1085-E1089 HydrophobicContact CG-CG 4.4Å; K1085-E1089 VanDerWaalsContact CG-OE2 3.25Å; K1085-E1089 WeakPolarHBondContact CG-OE2 3.28Å; K1085-E1089 IonicContact NZ-OE1 2.75Å; K1085-E1089 PolarHBondContact O-N 2.9Å |
| 1086 | P | 92.5 | Very high | 90.7 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -48.2 | -38.3 | 171.7 | -32.2 | 34.3 | 0 | 0 | 0 | 114.5 | H1083 L1090 H1219 L1222 I1223 | H1083-P1086 HydrophobicContact CB-CB 4.37Å; H1083-P1086 HydrophobicContact CB-CG 4.32Å; H1083-P1086 VanDerWaalsContact O-CD 3.31Å; H1083-P1086 WeakPolarHBondContact O-CD 3.34Å; P1086-L1090 WeakPolarHBondContact O-CB 3.31Å; P1086-L1090 PolarHBondContact O-N 3.28Å; P1086-H1219 HydrophobicContact CB-CB 3.93Å; P1086-L1222 HydrophobicContact CB-CD2 4.42Å; P1086-L1222 HydrophobicContact CG-CD2 3.86Å; P1086-I1223 HydrophobicContact CB-CD1 4.14Å; P1086-I1223 HydrophobicContact CB-CG1 4.2Å |
| 1087 | R | 92.2 | Very high | 91.2 | Very high | 9 Ų | 9 | 36 Ų | 36 | 3% | 0.034 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.3 | -33.9 | -178 | -176.8 | 177.2 | -93.4 | -89.8 | 8.6 | 112.8 | I1026 L1027 M1029 H1083 L1084 K1085 W1091 I1223 | I1026-R1087 HydrophobicContact CG2-CG 4.05Å; I1026-R1087 WeakPolarHBondContact O-CD 3.45Å; I1026-R1087 PolarHBondContact O-NH1 3.13Å; I1026-R1087 VanDerWaalsContact O-NH1 3.09Å; L1027-R1087 PolarHBondContact O-NH1 3.07Å; M1029-R1087 HydrophobicContact CE-CG 4.19Å; H1083-R1087 VanDerWaalsContact O-CB 3.27Å; H1083-R1087 WeakPolarHBondContact O-CB 3.43Å; H1083-R1087 PolarHBondContact O-N 3.4Å; L1084-R1087 PolarHBondContact O-N 3.38Å; K1085-R1087 PolarHBondContact O-N 3.3Å; K1085-R1087 VanDerWaalsContact O-N 3.11Å; R1087-W1091 WeakPolarHBondContact O-CB 3.31Å; R1087-W1091 PolarHBondContact O-N 3.42Å; R1087-I1223 HydrophobicContact CB-CD1 3.86Å; R1087-I1223 HydrophobicContact CB-CG1 4.42Å; R1087-I1223 HydrophobicContact CG-CD1 4.48Å |
| 1088 | L | 93.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.3 | -43.3 | 171.3 | -71.4 | 169.2 | 0 | 0 | 0 | 111.5 | I1026 I1039 L1042 L1043 L1047 L1084 K1085 W1091 L1092 | I1026-L1088 HydrophobicContact CD1-CD2 4.06Å; I1026-L1088 HydrophobicContact CG1-CD2 4.02Å; I1026-L1088 HydrophobicContact CG2-CD2 4.47Å; I1039-L1088 HydrophobicContact CG2-CB 4.34Å; I1039-L1088 HydrophobicContact CG2-CD2 4.09Å; L1042-L1088 HydrophobicContact CB-CD1 4.13Å; L1042-L1088 HydrophobicContact CD1-CD2 4.16Å; L1043-L1088 HydrophobicContact CD1-CB 4.15Å; L1043-L1088 HydrophobicContact CD2-CB 3.66Å; L1043-L1088 HydrophobicContact CD2-CD1 4.19Å; L1043-L1088 HydrophobicContact CG-CB 3.82Å; L1043-L1088 HydrophobicContact CG-CD1 4.28Å; L1047-L1088 HydrophobicContact CD1-CD1 4.46Å; L1084-L1088 HydrophobicContact CD1-CD1 3.8Å; L1084-L1088 HydrophobicContact CD1-CG 4.1Å; L1084-L1088 HydrophobicContact CG-CD1 4.03Å; L1084-L1088 WeakPolarHBondContact O-CG 3.36Å; L1084-L1088 PolarHBondContact O-N 2.65Å; K1085-L1088 PolarHBondContact O-N 3.28Å; L1088-W1091 PolarHBondContact O-N 3.07Å; L1088-L1092 WeakPolarHBondContact O-CB 3.39Å; L1088-L1092 PolarHBondContact O-N 3.38Å |
| 1089 | E | 94.7 | Very high | 91.9 | Very high | 53 Ų | 53 | 43.6 Ų | 43.6 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 178.9 | -70.7 | 174.1 | 137.4 | 0 | 0 | 111.6 | L1043 K1085 W1091 L1092 F1093 H1219 | L1043-E1089 HydrophobicContact CD1-CG 4.24Å; L1043-E1089 HydrophobicContact CD2-CG 3.76Å; K1085-E1089 WeakPolarHBondContact CE-OE1 3.44Å; K1085-E1089 WeakPolarHBondContact CE-OE2 3.3Å; K1085-E1089 HydrophobicContact CG-CG 4.4Å; K1085-E1089 VanDerWaalsContact CG-OE2 3.25Å; K1085-E1089 WeakPolarHBondContact CG-OE2 3.28Å; K1085-E1089 IonicContact NZ-OE1 2.75Å; K1085-E1089 PolarHBondContact O-N 2.9Å; E1089-W1091 VanDerWaalsContact C-N 3.34Å; E1089-W1091 PolarHBondContact O-N 3.31Å; E1089-L1092 PolarHBondContact O-N 3.26Å; E1089-F1093 PolarHBondContact O-N 2.7Å; E1089-H1219 IonicContact OE2-CE1 3.57Å; E1089-H1219 IonicContact OE2-NE2 3.44Å; E1089-H1219 PolarHBondContact OE2-NE2 3.46Å |
| 1090 | L | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 173 | 172.2 | 56.7 | 0 | 0 | 0 | 112.9 | M1029 P1086 K1094 A1216 H1219 I1223 L1236 L1240 | M1029-L1090 HydrophobicContact CE-CB 4.39Å; M1029-L1090 HydrophobicContact CE-CD2 3.96Å; M1029-L1090 HydrophobicContact CE-CG 3.93Å; P1086-L1090 WeakPolarHBondContact O-CB 3.31Å; P1086-L1090 PolarHBondContact O-N 3.28Å; L1090-K1094 WeakPolarHBondContact O-CB 3.47Å; L1090-K1094 PolarHBondContact O-N 2.82Å; L1090-K1094 VanDerWaalsContact O-N 3.12Å; L1090-A1216 HydrophobicContact CD1-CB 3.95Å; L1090-H1219 HydrophobicContact CB-CB 4.1Å; L1090-I1223 HydrophobicContact CD2-CD1 3.82Å; L1090-L1236 HydrophobicContact CD2-CD2 4.03Å; L1090-L1240 HydrophobicContact CD1-CD1 3.86Å; L1090-L1240 HydrophobicContact CD1-CD2 3.87Å; L1090-L1240 HydrophobicContact CD1-CG 4.38Å |
| 1091 | W | 92.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.3 | -40.7 | 177.9 | -172 | 9.8 | 0 | 0 | 0 | 111.5 | A1025 I1026 M1029 D1030 I1034 I1039 R1087 L1088 E1089 K1094 L1095 | A1025-W1091 HydrophobicContact CB-CH2 4.26Å; I1026-W1091 HydrophobicContact CB-CZ3 4.39Å; I1026-W1091 HydrophobicContact CG1-CZ3 3.91Å; M1029-W1091 VanDerWaalsContact C-CZ2 3.46Å; M1029-W1091 HydrophobicContact CB-CD2 3.97Å; M1029-W1091 HydrophobicContact CB-CG 3.91Å; M1029-W1091 HydrophobicContact CE-CB 4.15Å; M1029-W1091 HydrophobicContact CG-CB 4.02Å; M1029-W1091 HydrophobicContact CG-CD2 4.01Å; M1029-W1091 HydrophobicContact CG-CG 3.76Å; M1029-W1091 HydrophobicContact SD-CB 4.1Å; M1029-W1091 HydrophobicContact SD-CG 4.28Å; D1030-W1091 VanDerWaalsContact C-CZ2 3.44Å; D1030-W1091 WeakPolarHBondContact O-CZ2 3.47Å; I1034-W1091 HydrophobicContact CB-CH2 3.83Å; I1034-W1091 HydrophobicContact CB-CZ3 4.48Å; I1034-W1091 HydrophobicContact CD1-CH2 4.11Å; I1034-W1091 HydrophobicContact CD1-CZ3 4.13Å; I1034-W1091 HydrophobicContact CG1-CH2 4.15Å; I1039-W1091 HydrophobicContact CD1-CD2 3.53Å; I1039-W1091 HydrophobicContact CD1-CE3 3.81Å; I1039-W1091 HydrophobicContact CD1-CG 3.95Å; I1039-W1091 HydrophobicContact CD1-CH2 4.18Å; I1039-W1091 HydrophobicContact CD1-CZ2 3.89Å; I1039-W1091 HydrophobicContact CD1-CZ3 4.13Å; I1039-W1091 HydrophobicContact CG1-CD2 4.22Å; I1039-W1091 HydrophobicContact CG1-CE3 3.98Å; I1039-W1091 HydrophobicContact CG1-CH2 4.4Å; I1039-W1091 HydrophobicContact CG1-CZ3 4.08Å; R1087-W1091 WeakPolarHBondContact O-CB 3.31Å; R1087-W1091 PolarHBondContact O-N 3.42Å; L1088-W1091 PolarHBondContact O-N 3.07Å; E1089-W1091 VanDerWaalsContact C-N 3.34Å; E1089-W1091 PolarHBondContact O-N 3.31Å; W1091-K1094 WeakPolarHBondContact O-CB 3.43Å; W1091-K1094 PolarHBondContact O-N 3.21Å; W1091-L1095 WeakPolarHBondContact O-CG 3.34Å; W1091-L1095 PolarHBondContact O-N 3.44Å; W1091-L1095 VanDerWaalsContact O-N 3.15Å |
| 1092 | L | 93.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 44.3 Ų | 44.3 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.5 | -48.2 | 175.1 | -174.3 | 60.1 | 0 | 0 | 0 | 111.3 | R1036 I1039 L1043 L1088 E1089 K1094 L1095 D1096 | R1036-L1092 HydrophobicContact CG-CD1 3.68Å; I1039-L1092 HydrophobicContact CG2-CB 3.98Å; I1039-L1092 HydrophobicContact CG2-CD1 4.46Å; L1043-L1092 HydrophobicContact CD1-CD2 3.9Å; L1088-L1092 WeakPolarHBondContact O-CB 3.39Å; L1088-L1092 PolarHBondContact O-N 3.38Å; E1089-L1092 PolarHBondContact O-N 3.26Å; L1092-K1094 VanDerWaalsContact C-N 3.28Å; L1092-K1094 PolarHBondContact O-N 3.11Å; L1092-L1095 PolarHBondContact O-N 3.46Å; L1092-L1095 VanDerWaalsContact O-N 3.09Å; L1092-D1096 PolarHBondContact O-N 3.46Å |
| 1093 | F | 95.6 | Very high | 93.7 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -52.8 | -46.3 | 173.7 | 174.1 | -95.9 | 0 | 0 | 0 | 111.9 | E1089 L1095 D1096 Y1097 L1209 D1212 A1216 F1239 L1240 A1243 | E1089-F1093 PolarHBondContact O-N 2.7Å; F1093-L1095 VanDerWaalsContact C-N 3.29Å; F1093-L1095 PolarHBondContact O-N 2.72Å; F1093-D1096 PolarHBondContact O-N 3.35Å; F1093-Y1097 HydrophobicContact CE1-CD2 4.04Å; F1093-Y1097 AromaticContact CE2-CD2 3.9Å; F1093-Y1097 HydrophobicContact CE2-CD2 3.9Å; F1093-Y1097 AromaticContact CZ-CD2 3.42Å; F1093-Y1097 HydrophobicContact CZ-CD2 3.42Å; F1093-Y1097 VanDerWaalsContact CZ-CD2 3.42Å; F1093-Y1097 HydrophobicContact CZ-CE2 4.04Å; F1093-Y1097 HydrophobicContact CZ-CG 4.35Å; F1093-Y1097 VanDerWaalsContact O-CB 3.29Å; F1093-Y1097 WeakPolarHBondContact O-CB 3.41Å; F1093-Y1097 PolarHBondContact O-N 3.29Å; F1093-L1209 HydrophobicContact CE2-CD1 4.21Å; F1093-D1212 HydrophobicContact CD2-CB 3.92Å; F1093-D1212 HydrophobicContact CE2-CB 4.17Å; F1093-A1216 HydrophobicContact CB-CB 4.22Å; F1093-A1216 HydrophobicContact CD1-CB 3.45Å; F1093-A1216 VanDerWaalsContact CD1-CB 3.45Å; F1093-A1216 HydrophobicContact CD2-CB 4.3Å; F1093-A1216 HydrophobicContact CE1-CB 3.83Å; F1093-A1216 HydrophobicContact CG-CB 3.72Å; F1093-A1216 HydrophobicContact CZ-CB 4.38Å; F1093-F1239 HydrophobicContact CD1-CE1 4.27Å; F1093-F1239 HydrophobicContact CE1-CE1 4.07Å; F1093-F1239 HydrophobicContact CE1-CZ 4.46Å; F1093-L1240 HydrophobicContact CD1-CD2 3.95Å; F1093-L1240 HydrophobicContact CE1-CD2 3.71Å; F1093-A1243 HydrophobicContact CE1-CB 4.47Å; F1093-A1243 HydrophobicContact CZ-CB 4.5Å |
| 1094 | K | 93.1 | Very high | 94.1 | Very high | 81 Ų | 81 | 40.3 Ų | 40.3 | 35% | 0.352 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.9 | -35 | 179.5 | -176.3 | -172.5 | -178.9 | -173 | 0 | 113.4 | L1090 W1091 L1092 L1236 F1239 | L1090-K1094 WeakPolarHBondContact O-CB 3.47Å; L1090-K1094 PolarHBondContact O-N 2.82Å; L1090-K1094 VanDerWaalsContact O-N 3.12Å; W1091-K1094 WeakPolarHBondContact O-CB 3.43Å; W1091-K1094 PolarHBondContact O-N 3.21Å; L1092-K1094 VanDerWaalsContact C-N 3.28Å; L1092-K1094 PolarHBondContact O-N 3.11Å; K1094-L1236 HydrophobicContact CD-CD1 3.82Å; K1094-F1239 HydrophobicContact CB-CE1 3.92Å; K1094-F1239 HydrophobicContact CB-CZ 4.29Å; K1094-F1239 HydrophobicContact CG-CD1 4.1Å; K1094-F1239 HydrophobicContact CG-CE1 3.73Å; K1094-F1239 HydrophobicContact CG-CZ 3.96Å |
| 1095 | L | 92.5 | Very high | 94.4 | Very high | 61 Ų | 61 | 39.8 Ų | 39.8 | 32% | 0.319 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -77.7 | -39.7 | 178.8 | -67.4 | 174.1 | 0 | 0 | 0 | 112.1 | H1031 I1039 W1091 L1092 F1093 | H1031-L1095 HydrophobicContact CB-CD2 3.99Å; I1039-L1095 HydrophobicContact CD1-CD1 3.43Å; I1039-L1095 VanDerWaalsContact CD1-CD1 3.43Å; W1091-L1095 WeakPolarHBondContact O-CG 3.34Å; W1091-L1095 PolarHBondContact O-N 3.44Å; W1091-L1095 VanDerWaalsContact O-N 3.15Å; L1092-L1095 PolarHBondContact O-N 3.46Å; L1092-L1095 VanDerWaalsContact O-N 3.09Å; F1093-L1095 VanDerWaalsContact C-N 3.29Å; F1093-L1095 PolarHBondContact O-N 2.72Å |
| 1096 | D | 94.2 | Very high | 94.6 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -85.2 | -20 | -173.5 | -70 | -11.8 | 0 | 0 | 0 | 113.5 | R1036 L1092 F1093 E1098 Q1099 N1100 | R1036-D1096 VanDerWaalsContact CD-OD1 3.22Å; R1036-D1096 WeakPolarHBondContact CD-OD1 3.49Å; R1036-D1096 IonicContact CZ-OD1 3.33Å; R1036-D1096 VanDerWaalsContact CZ-OD1 3.31Å; R1036-D1096 IonicContact CZ-OD2 3.58Å; R1036-D1096 IonicContact NE-OD1 2.65Å; R1036-D1096 PolarHBondContact NE-OD1 3.47Å; R1036-D1096 IonicContact NE-OD2 2.69Å; R1036-D1096 IonicContact NH1-OD1 2.89Å; R1036-D1096 PolarHBondContact NH1-OD1 3.42Å; R1036-D1096 IonicContact NH1-OD2 3.12Å; R1036-D1096 PolarHBondContact NH1-OD2 3.34Å; R1036-D1096 VanDerWaalsContact NH1-OD2 3.08Å; R1036-D1096 IonicContact NH2-OD2 2.65Å; L1092-D1096 PolarHBondContact O-N 3.46Å; F1093-D1096 PolarHBondContact O-N 3.35Å; D1096-E1098 PolarHBondContact O-N 2.87Å; D1096-Q1099 PolarHBondContact O-N 3.18Å; D1096-N1100 VanDerWaalsContact O-CG 3.31Å; D1096-N1100 PolarHBondContact O-N 2.87Å; D1096-N1100 PolarHBondContact O-ND2 2.88Å |
| 1097 | Y | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -52.6 | -48.1 | -172.4 | -179.5 | -87.6 | 0 | 0 | 0 | 113.9 | F1093 Q1099 N1100 E1101 L1209 F1239 A1243 R1246 V1247 | F1093-Y1097 HydrophobicContact CE1-CD2 4.04Å; F1093-Y1097 AromaticContact CE2-CD2 3.9Å; F1093-Y1097 HydrophobicContact CE2-CD2 3.9Å; F1093-Y1097 AromaticContact CZ-CD2 3.42Å; F1093-Y1097 HydrophobicContact CZ-CD2 3.42Å; F1093-Y1097 VanDerWaalsContact CZ-CD2 3.42Å; F1093-Y1097 HydrophobicContact CZ-CE2 4.04Å; F1093-Y1097 HydrophobicContact CZ-CG 4.35Å; F1093-Y1097 VanDerWaalsContact O-CB 3.29Å; F1093-Y1097 WeakPolarHBondContact O-CB 3.41Å; F1093-Y1097 PolarHBondContact O-N 3.29Å; Y1097-Q1099 VanDerWaalsContact C-N 3.28Å; Y1097-Q1099 PolarHBondContact O-N 2.82Å; Y1097-N1100 PolarHBondContact O-N 3.38Å; Y1097-E1101 HydrophobicContact CD1-CB 4.46Å; Y1097-E1101 HydrophobicContact CE1-CB 3.98Å; Y1097-E1101 HydrophobicContact CE1-CG 4.39Å; Y1097-E1101 VanDerWaalsContact O-CB 3.3Å; Y1097-E1101 WeakPolarHBondContact O-CB 3.33Å; Y1097-E1101 PolarHBondContact O-N 3.11Å; Y1097-L1209 HydrophobicContact CD2-CD1 3.96Å; Y1097-L1209 HydrophobicContact CE2-CD1 4.11Å; Y1097-L1209 HydrophobicContact CE2-CD2 4.41Å; Y1097-L1209 HydrophobicContact CE2-CG 4.4Å; Y1097-F1239 HydrophobicContact CD1-CE2 4.41Å; Y1097-F1239 HydrophobicContact CD1-CZ 4.4Å; Y1097-F1239 HydrophobicContact CG-CZ 4.14Å; Y1097-A1243 HydrophobicContact CD2-CB 4.05Å; Y1097-A1243 HydrophobicContact CE1-CB 4.24Å; Y1097-A1243 HydrophobicContact CE2-CB 3.63Å; Y1097-A1243 HydrophobicContact CG-CB 4.49Å; Y1097-A1243 PolarHBondContact OH-O 3.4Å; Y1097-R1246 WeakPolarHBondContact OH-CB 3.43Å; Y1097-V1247 HydrophobicContact CE2-CG2 3.82Å |
| 1098 | E | 94.9 | Very high | 95.1 | Very high | 108 Ų | 108 | 38.8 Ų | 38.8 | 51% | 0.505 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.1 | -31.1 | -174.1 | -59.5 | -148.2 | 103.4 | 0 | 0 | 112.9 | K798 D1096 K1102 | K798-E1098 WeakPolarHBondContact CE-OE1 3.13Å; K798-E1098 IonicContact NZ-OE1 3.68Å; K798-E1098 PolarHBondContact NZ-OE1 3.36Å; D1096-E1098 PolarHBondContact O-N 2.87Å; E1098-K1102 VanDerWaalsContact O-CB 3.26Å; E1098-K1102 WeakPolarHBondContact O-CB 3.45Å; E1098-K1102 PolarHBondContact O-N 2.88Å; E1098-K1102 VanDerWaalsContact O-N 3.14Å |
| 1099 | Q | 95.4 | Very high | 95.2 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 45% | 0.453 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -75.3 | -42.6 | 174.9 | -177.6 | 61.3 | 23.2 | 0 | 0 | 110.7 | D1096 Y1097 E1101 K1102 E1103 | D1096-Q1099 PolarHBondContact O-N 3.18Å; Y1097-Q1099 VanDerWaalsContact C-N 3.28Å; Y1097-Q1099 PolarHBondContact O-N 2.82Å; Q1099-E1101 PolarHBondContact O-N 3.49Å; Q1099-K1102 PolarHBondContact O-N 3.43Å; Q1099-E1103 WeakPolarHBondContact CG-OE1 3.49Å; Q1099-E1103 PolarHBondContact NE2-OE1 3.44Å; Q1099-E1103 WeakPolarHBondContact O-CB 3.23Å; Q1099-E1103 WeakPolarHBondContact O-CG 3.39Å; Q1099-E1103 PolarHBondContact O-N 3.48Å |
| 1100 | N | 95.5 | Very high | 95.3 | Very high | 51 Ų | 51 | 38.7 Ų | 38.7 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 176.7 | -64.9 | -27.1 | 0 | 0 | 0 | 112.2 | D1096 Y1097 I1104 L1209 | D1096-N1100 VanDerWaalsContact O-CG 3.31Å; D1096-N1100 PolarHBondContact O-N 2.87Å; D1096-N1100 PolarHBondContact O-ND2 2.88Å; Y1097-N1100 PolarHBondContact O-N 3.38Å; N1100-I1104 WeakPolarHBondContact O-CD1 3.28Å; N1100-I1104 WeakPolarHBondContact O-CG1 3.4Å; N1100-L1209 HydrophobicContact CB-CD1 3.85Å; N1100-L1209 HydrophobicContact CB-CD2 4.35Å |
| 1101 | E | 96.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.7 | -51.6 | 170.7 | 172.6 | -171.2 | -150.8 | 0 | 0 | 110.4 | L797 K798 Y1097 Q1099 I1104 A1105 R1246 L1250 | L797-E1101 HydrophobicContact CD2-CG 4.28Å; K798-E1101 WeakPolarHBondContact CE-OE2 3.04Å; K798-E1101 IonicContact NZ-OE2 2.61Å; K798-E1101 PolarHBondContact NZ-OE2 2.78Å; Y1097-E1101 HydrophobicContact CD1-CB 4.46Å; Y1097-E1101 HydrophobicContact CE1-CB 3.98Å; Y1097-E1101 HydrophobicContact CE1-CG 4.39Å; Y1097-E1101 VanDerWaalsContact O-CB 3.3Å; Y1097-E1101 WeakPolarHBondContact O-CB 3.33Å; Y1097-E1101 PolarHBondContact O-N 3.11Å; Q1099-E1101 PolarHBondContact O-N 3.49Å; E1101-I1104 PolarHBondContact O-N 2.87Å; E1101-I1104 VanDerWaalsContact O-N 3.17Å; E1101-A1105 VanDerWaalsContact O-CB 3.3Å; E1101-A1105 WeakPolarHBondContact O-CB 3.23Å; E1101-A1105 PolarHBondContact O-N 3.01Å; E1101-R1246 IonicContact OE1-CZ 3.26Å; E1101-R1246 IonicContact OE1-NE 3Å; E1101-R1246 IonicContact OE1-NH1 2.81Å; E1101-R1246 PolarHBondContact OE1-NH1 3.34Å; E1101-R1246 IonicContact OE2-NH1 3.65Å; E1101-R1246 PolarHBondContact OE2-NH1 3.46Å; E1101-L1250 HydrophobicContact CG-CD1 4.41Å |
| 1102 | K | 95.6 | Very high | 95.6 | Very high | 98 Ų | 98 | 39.6 Ų | 39.6 | 43% | 0.426 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.7 | -45 | -177.1 | -175.1 | 178.2 | 179.2 | -179.8 | 0 | 112.6 | E1098 Q1099 I1104 A1105 E1106 | E1098-K1102 VanDerWaalsContact O-CB 3.26Å; E1098-K1102 WeakPolarHBondContact O-CB 3.45Å; E1098-K1102 PolarHBondContact O-N 2.88Å; E1098-K1102 VanDerWaalsContact O-N 3.14Å; Q1099-K1102 PolarHBondContact O-N 3.43Å; K1102-I1104 PolarHBondContact O-N 3.29Å; K1102-I1104 VanDerWaalsContact O-N 3.08Å; K1102-A1105 PolarHBondContact O-N 3.27Å; K1102-E1106 WeakPolarHBondContact CE-OE1 3.44Å; K1102-E1106 WeakPolarHBondContact CE-OE2 3.24Å; K1102-E1106 HydrophobicContact CG-CG 4.04Å; K1102-E1106 IonicContact NZ-OE1 3.83Å; K1102-E1106 PolarHBondContact NZ-OE1 2.83Å; K1102-E1106 IonicContact NZ-OE2 3.73Å; K1102-E1106 PolarHBondContact O-N 3.34Å |
| 1103 | E | 95.2 | Very high | 95.7 | Very high | 70 Ų | 70 | 41 Ų | 41 | 33% | 0.327 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.6 | -11.1 | 177.8 | -75.5 | -177.3 | -148.5 | 0 | 0 | 114.1 | Q1099 P1107 R1205 | Q1099-E1103 WeakPolarHBondContact CG-OE1 3.49Å; Q1099-E1103 PolarHBondContact NE2-OE1 3.44Å; Q1099-E1103 WeakPolarHBondContact O-CB 3.23Å; Q1099-E1103 WeakPolarHBondContact O-CG 3.39Å; Q1099-E1103 PolarHBondContact O-N 3.48Å; E1103-P1107 WeakPolarHBondContact O-CG 3.33Å; E1103-R1205 IonicContact OE2-CZ 2.66Å; E1103-R1205 IonicContact OE2-NH1 2.68Å; E1103-R1205 PolarHBondContact OE2-NH1 2.79Å; E1103-R1205 IonicContact OE2-NH2 3.79Å |
| 1104 | I | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -105.6 | -40.3 | 172.2 | -57.5 | 164.8 | 0 | 0 | 0 | 110.9 | N1100 E1101 K1102 L1108 L1202 R1205 L1206 L1209 L1250 | N1100-I1104 WeakPolarHBondContact O-CD1 3.28Å; N1100-I1104 WeakPolarHBondContact O-CG1 3.4Å; E1101-I1104 PolarHBondContact O-N 2.87Å; E1101-I1104 VanDerWaalsContact O-N 3.17Å; K1102-I1104 PolarHBondContact O-N 3.29Å; K1102-I1104 VanDerWaalsContact O-N 3.08Å; I1104-L1108 HydrophobicContact CG2-CD1 4Å; I1104-L1108 WeakPolarHBondContact O-CG 3.49Å; I1104-L1108 PolarHBondContact O-N 3.48Å; I1104-L1202 HydrophobicContact CB-CD1 4.41Å; I1104-L1202 HydrophobicContact CG1-CD1 4.45Å; I1104-L1202 HydrophobicContact CG2-CD1 4.21Å; I1104-R1205 HydrophobicContact CD1-CB 4.21Å; I1104-R1205 HydrophobicContact CG1-CB 4.23Å; I1104-L1206 HydrophobicContact CD1-CB 4.11Å; I1104-L1206 HydrophobicContact CD1-CD1 4.23Å; I1104-L1206 HydrophobicContact CG2-CB 4.49Å; I1104-L1206 HydrophobicContact CG2-CD1 4.46Å; I1104-L1209 HydrophobicContact CD1-CB 4.38Å; I1104-L1209 HydrophobicContact CD1-CD2 3.86Å; I1104-L1250 HydrophobicContact CB-CD1 4.46Å; I1104-L1250 HydrophobicContact CG2-CD1 4.47Å; I1104-L1250 HydrophobicContact CG2-CD2 4.24Å |
| 1105 | A | 96.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.2 | -40.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L800 E1101 K1102 L1108 N1109 L1250 | L800-A1105 HydrophobicContact CD1-CB 3.8Å; E1101-A1105 VanDerWaalsContact O-CB 3.3Å; E1101-A1105 WeakPolarHBondContact O-CB 3.23Å; E1101-A1105 PolarHBondContact O-N 3.01Å; K1102-A1105 PolarHBondContact O-N 3.27Å; A1105-L1108 PolarHBondContact O-N 3.49Å; A1105-N1109 PolarHBondContact O-N 2.91Å; A1105-L1250 HydrophobicContact CB-CD2 3.94Å |
| 1106 | E | 96.4 | Very high | 96 | Very high | 93 Ų | 93 | 36.2 Ų | 36.2 | 44% | 0.435 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.3 | -49.3 | -180 | -75.1 | -175.4 | 149.8 | 0 | 0 | 112.4 | K1102 L1108 N1109 D1110 | K1102-E1106 WeakPolarHBondContact CE-OE1 3.44Å; K1102-E1106 WeakPolarHBondContact CE-OE2 3.24Å; K1102-E1106 HydrophobicContact CG-CG 4.04Å; K1102-E1106 IonicContact NZ-OE1 3.83Å; K1102-E1106 PolarHBondContact NZ-OE1 2.83Å; K1102-E1106 IonicContact NZ-OE2 3.73Å; K1102-E1106 PolarHBondContact O-N 3.34Å; E1106-L1108 VanDerWaalsContact C-N 3.29Å; E1106-L1108 PolarHBondContact O-N 2.88Å; E1106-N1109 PolarHBondContact O-N 3.36Å; E1106-D1110 PolarHBondContact O-N 3.36Å |
| 1107 | P | 96.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 10% | 0.104 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.8 | -39.7 | 172.3 | -30.5 | 37.4 | 0 | 0 | 0 | 114.6 | E1103 D1110 L1111 V1197 W1199 L1202 | E1103-P1107 WeakPolarHBondContact O-CG 3.33Å; P1107-D1110 PolarHBondContact O-N 3.42Å; P1107-L1111 WeakPolarHBondContact O-CB 3.49Å; P1107-L1111 PolarHBondContact O-N 2.95Å; P1107-V1197 HydrophobicContact CB-CG1 3.99Å; P1107-V1197 HydrophobicContact CB-CG2 4.07Å; P1107-V1197 HydrophobicContact CG-CG1 4.25Å; P1107-V1197 HydrophobicContact CG-CG2 4.17Å; P1107-W1199 HydrophobicContact CB-CH2 4.2Å; P1107-W1199 WeakPolarHBondContact O-CH2 3.28Å; P1107-L1202 HydrophobicContact CB-CD1 4.18Å; P1107-L1202 HydrophobicContact CB-CD2 4.32Å; P1107-L1202 HydrophobicContact CG-CD1 4.22Å |
| 1108 | L | 97 | Very high | 96 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.1 | -37.2 | 179.1 | -73.1 | 172.9 | 0 | 0 | 0 | 112.5 | F802 I1104 A1105 E1106 K1112 W1199 L1202 L1250 V1253 Y1254 M1257 | F802-L1108 HydrophobicContact CE1-CB 4.32Å; F802-L1108 HydrophobicContact CZ-CB 4.34Å; I1104-L1108 HydrophobicContact CG2-CD1 4Å; I1104-L1108 WeakPolarHBondContact O-CG 3.49Å; I1104-L1108 PolarHBondContact O-N 3.48Å; A1105-L1108 PolarHBondContact O-N 3.49Å; E1106-L1108 VanDerWaalsContact C-N 3.29Å; E1106-L1108 PolarHBondContact O-N 2.88Å; L1108-K1112 PolarHBondContact O-N 3Å; L1108-K1112 VanDerWaalsContact O-N 3.08Å; L1108-W1199 HydrophobicContact CD2-CZ3 4.49Å; L1108-L1202 HydrophobicContact CD2-CD2 4.34Å; L1108-L1202 HydrophobicContact CG-CD2 4.45Å; L1108-L1250 HydrophobicContact CD1-CD2 4.37Å; L1108-V1253 HydrophobicContact CB-CG1 4.17Å; L1108-V1253 HydrophobicContact CD1-CG1 4.11Å; L1108-Y1254 HydrophobicContact CD2-CD2 4.06Å; L1108-M1257 HydrophobicContact CD2-CB 4.4Å |
| 1109 | N | 96.6 | Very high | 95.9 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -42.6 | 171 | 176 | 69.2 | 0 | 0 | 0 | 111.4 | L800 F802 A1105 E1106 L1111 K1112 Q1113 | L800-N1109 HydrophobicContact CD1-CB 4.32Å; L800-N1109 HydrophobicContact CD2-CB 4.16Å; F802-N1109 HydrophobicContact CE1-CB 4.12Å; F802-N1109 HydrophobicContact CZ-CB 3.86Å; A1105-N1109 PolarHBondContact O-N 2.91Å; E1106-N1109 PolarHBondContact O-N 3.36Å; N1109-L1111 VanDerWaalsContact C-N 3.32Å; N1109-L1111 PolarHBondContact O-N 2.76Å; N1109-K1112 WeakPolarHBondContact O-CB 3.47Å; N1109-K1112 PolarHBondContact O-N 3.5Å; N1109-K1112 VanDerWaalsContact O-N 3.16Å; N1109-Q1113 WeakPolarHBondContact O-CG 3.38Å; N1109-Q1113 PolarHBondContact O-N 3.23Å; N1109-Q1113 PolarHBondContact OD1-NE2 3.08Å |
| 1110 | D | 96.7 | Very high | 95.8 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 13% | 0.128 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | 176.2 | -85.9 | -7.7 | 0 | 0 | 0 | 111.7 | E1106 P1107 K1112 Q1113 A1114 R1193 C1194 | E1106-D1110 PolarHBondContact O-N 3.36Å; P1107-D1110 PolarHBondContact O-N 3.42Å; D1110-K1112 PolarHBondContact O-N 2.92Å; D1110-Q1113 PolarHBondContact O-N 2.78Å; D1110-A1114 VanDerWaalsContact O-CB 3.26Å; D1110-A1114 WeakPolarHBondContact O-CB 3.29Å; D1110-A1114 PolarHBondContact O-N 3Å; D1110-R1193 IonicContact OD1-CZ 3.16Å; D1110-R1193 VanDerWaalsContact OD1-CZ 3.28Å; D1110-R1193 IonicContact OD1-NE 3.46Å; D1110-R1193 PolarHBondContact OD1-NE 2.7Å; D1110-R1193 IonicContact OD1-NH2 2.84Å; D1110-R1193 PolarHBondContact OD1-NH2 3.2Å; D1110-R1193 VanDerWaalsContact OD2-CB 3.22Å; D1110-R1193 WeakPolarHBondContact OD2-CB 3.43Å; D1110-R1193 WeakPolarHBondContact OD2-CD 3.27Å; D1110-R1193 IonicContact OD2-CZ 2.69Å; D1110-R1193 IonicContact OD2-NE 2.72Å; D1110-R1193 PolarHBondContact OD2-NE 2.72Å; D1110-R1193 IonicContact OD2-NH2 3.76Å; D1110-C1194 PolarHBondContact O-SG 3.32Å; D1110-C1194 VanDerWaalsContact O-SG 3.42Å |
| 1111 | L | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 174.7 | 179.5 | 57.9 | 0 | 0 | 0 | 112.5 | P1107 N1109 V1115 C1194 W1199 M1257 F1261 V1280 | P1107-L1111 WeakPolarHBondContact O-CB 3.49Å; P1107-L1111 PolarHBondContact O-N 2.95Å; N1109-L1111 VanDerWaalsContact C-N 3.32Å; N1109-L1111 PolarHBondContact O-N 2.76Å; L1111-V1115 HydrophobicContact CD1-CG2 4.45Å; L1111-V1115 WeakPolarHBondContact O-CG2 3.34Å; L1111-V1115 PolarHBondContact O-N 3.09Å; L1111-V1115 VanDerWaalsContact O-N 3.1Å; L1111-C1194 VanDerWaalsContact CA-SG 3.51Å; L1111-C1194 PolarHBondContact N-SG 3.08Å; L1111-C1194 VanDerWaalsContact N-SG 3.37Å; L1111-W1199 HydrophobicContact CB-CH2 3.67Å; L1111-W1199 HydrophobicContact CB-CZ2 4.22Å; L1111-W1199 HydrophobicContact CB-CZ3 4.5Å; L1111-W1199 HydrophobicContact CD2-CH2 3.69Å; L1111-W1199 HydrophobicContact CD2-CZ2 4.43Å; L1111-W1199 HydrophobicContact CD2-CZ3 3.73Å; L1111-W1199 HydrophobicContact CG-CH2 4.22Å; L1111-M1257 HydrophobicContact CB-CG 4.32Å; L1111-M1257 HydrophobicContact CD2-CG 3.86Å; L1111-M1257 HydrophobicContact CG-CE 4.1Å; L1111-M1257 HydrophobicContact CG-CG 3.92Å; L1111-F1261 HydrophobicContact CD1-CD2 4Å; L1111-V1280 HydrophobicContact CD1-CG1 3.58Å; L1111-V1280 HydrophobicContact CD2-CG1 4.09Å; L1111-V1280 HydrophobicContact CD2-CG2 4.09Å; L1111-V1280 HydrophobicContact CG-CG1 4.43Å |
| 1112 | K | 95.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -49.8 | 171 | 171.4 | -177.2 | 157.4 | 174.8 | 0 | 111 | D801 F802 D804 L1108 N1109 D1110 V1115 I1116 M1257 | D801-K1112 PolarHBondContact O-NZ 2.87Å; F802-K1112 HydrophobicContact CD1-CD 4.1Å; D804-K1112 VanDerWaalsContact CG-NZ 3.32Å; D804-K1112 VanDerWaalsContact OD1-CE 3.31Å; D804-K1112 WeakPolarHBondContact OD1-CE 3.32Å; D804-K1112 IonicContact OD1-NZ 2.64Å; D804-K1112 PolarHBondContact OD1-NZ 3.27Å; D804-K1112 VanDerWaalsContact OD2-CE 3.28Å; D804-K1112 WeakPolarHBondContact OD2-CE 3.49Å; D804-K1112 IonicContact OD2-NZ 2.75Å; D804-K1112 PolarHBondContact OD2-NZ 3.49Å; L1108-K1112 PolarHBondContact O-N 3Å; L1108-K1112 VanDerWaalsContact O-N 3.08Å; N1109-K1112 WeakPolarHBondContact O-CB 3.47Å; N1109-K1112 PolarHBondContact O-N 3.5Å; N1109-K1112 VanDerWaalsContact O-N 3.16Å; D1110-K1112 PolarHBondContact O-N 2.92Å; K1112-V1115 PolarHBondContact O-N 3.06Å; K1112-I1116 HydrophobicContact CG-CD1 3.97Å; K1112-I1116 WeakPolarHBondContact O-CG1 3.43Å; K1112-I1116 PolarHBondContact O-N 2.98Å; K1112-M1257 HydrophobicContact CB-SD 3.72Å; K1112-M1257 HydrophobicContact CG-SD 4.46Å |
| 1113 | Q | 96.6 | Very high | 95.6 | Very high | 62 Ų | 62 | 34.7 Ų | 34.7 | 29% | 0.29 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66 | -41.4 | 179.8 | -58.9 | -51.2 | -28.4 | 0 | 0 | 111.4 | N1109 D1110 V1115 I1116 E1117 A1190 | N1109-Q1113 WeakPolarHBondContact O-CG 3.38Å; N1109-Q1113 PolarHBondContact O-N 3.23Å; N1109-Q1113 PolarHBondContact OD1-NE2 3.08Å; D1110-Q1113 PolarHBondContact O-N 2.78Å; Q1113-V1115 VanDerWaalsContact C-N 3.3Å; Q1113-V1115 PolarHBondContact O-N 3.47Å; Q1113-I1116 CarbonylContact O-C 3.6Å; Q1113-I1116 WeakPolarHBondContact O-CA 3.41Å; Q1113-I1116 WeakPolarHBondContact O-CB 3.47Å; Q1113-I1116 PolarHBondContact O-N 2.65Å; Q1113-E1117 WeakPolarHBondContact O-CB 3.42Å; Q1113-E1117 WeakPolarHBondContact O-CG 3.4Å; Q1113-E1117 PolarHBondContact O-N 3.37Å; Q1113-A1190 HydrophobicContact CB-CB 3.67Å |
| 1114 | A | 96.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.1 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1110 L1118 A1190 L1191 | D1110-A1114 VanDerWaalsContact O-CB 3.26Å; D1110-A1114 WeakPolarHBondContact O-CB 3.29Å; D1110-A1114 PolarHBondContact O-N 3Å; A1114-L1118 WeakPolarHBondContact O-CB 3.18Å; A1114-L1118 PolarHBondContact O-N 2.9Å; A1114-A1190 HydrophobicContact CB-CB 4.19Å; A1114-L1191 HydrophobicContact CB-CB 3.88Å |
| 1115 | V | 95.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 173.4 | 165.3 | 0 | 0 | 0 | 0 | 111.5 | L1111 K1112 Q1113 I1119 M1257 F1261 T1264 | L1111-V1115 HydrophobicContact CD1-CG2 4.45Å; L1111-V1115 WeakPolarHBondContact O-CG2 3.34Å; L1111-V1115 PolarHBondContact O-N 3.09Å; L1111-V1115 VanDerWaalsContact O-N 3.1Å; K1112-V1115 PolarHBondContact O-N 3.06Å; Q1113-V1115 VanDerWaalsContact C-N 3.3Å; Q1113-V1115 PolarHBondContact O-N 3.47Å; V1115-I1119 HydrophobicContact CG1-CD1 3.78Å; V1115-I1119 WeakPolarHBondContact O-CB 3.46Å; V1115-I1119 WeakPolarHBondContact O-CD1 3.36Å; V1115-I1119 VanDerWaalsContact O-CG1 3.27Å; V1115-I1119 WeakPolarHBondContact O-CG1 3.43Å; V1115-I1119 PolarHBondContact O-N 3.3Å; V1115-I1119 VanDerWaalsContact O-N 3.11Å; V1115-M1257 HydrophobicContact CB-CE 4.07Å; V1115-M1257 HydrophobicContact CG2-CE 3.68Å; V1115-F1261 HydrophobicContact CG2-CD2 4.5Å; V1115-T1264 HydrophobicContact CG1-CG2 4.2Å; V1115-T1264 VanDerWaalsContact CG1-OG1 3.32Å; V1115-T1264 WeakPolarHBondContact CG1-OG1 3.45Å; V1115-T1264 HydrophobicContact CG2-CG2 4.41Å |
| 1116 | I | 95.1 | Very high | 95.3 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 27% | 0.267 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.4 | -45.6 | 178.6 | -65.5 | 165.8 | 0 | 0 | 0 | 111.2 | K1112 Q1113 N1120 | K1112-I1116 HydrophobicContact CG-CD1 3.97Å; K1112-I1116 WeakPolarHBondContact O-CG1 3.43Å; K1112-I1116 PolarHBondContact O-N 2.98Å; Q1113-I1116 CarbonylContact O-C 3.6Å; Q1113-I1116 WeakPolarHBondContact O-CA 3.41Å; Q1113-I1116 WeakPolarHBondContact O-CB 3.47Å; Q1113-I1116 PolarHBondContact O-N 2.65Å; I1116-N1120 WeakPolarHBondContact O-CB 3.21Å; I1116-N1120 PolarHBondContact O-N 3.23Å; I1116-N1120 PolarHBondContact O-ND2 2.9Å |
| 1117 | E | 95.3 | Very high | 95.3 | Very high | 50 Ų | 50 | 35 Ų | 35 | 23% | 0.234 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.9 | -51.5 | 173.4 | -72.1 | 170 | -176.6 | 0 | 0 | 110.4 | Q1113 I1119 N1120 C1121 L1188 G1189 A1190 L1191 | Q1113-E1117 WeakPolarHBondContact O-CB 3.42Å; Q1113-E1117 WeakPolarHBondContact O-CG 3.4Å; Q1113-E1117 PolarHBondContact O-N 3.37Å; E1117-I1119 PolarHBondContact O-N 3.03Å; E1117-N1120 PolarHBondContact O-N 2.78Å; E1117-C1121 WeakPolarHBondContact O-CB 3.44Å; E1117-C1121 PolarHBondContact O-N 3.23Å; E1117-L1188 HydrophobicContact CB-CD2 4.15Å; E1117-L1188 WeakPolarHBondContact OE2-CA 3.47Å; E1117-G1189 PolarHBondContact OE2-N 3.11Å; E1117-A1190 WeakPolarHBondContact OE1-CB 3.2Å; E1117-A1190 PolarHBondContact OE1-N 3.21Å; E1117-A1190 VanDerWaalsContact OE1-N 3.12Å; E1117-A1190 WeakPolarHBondContact OE2-CA 3.37Å; E1117-A1190 WeakPolarHBondContact OE2-CB 3.38Å; E1117-A1190 PolarHBondContact OE2-N 2.76Å; E1117-L1191 PolarHBondContact OE2-N 2.96Å |
| 1118 | L | 94.7 | Very high | 95.2 | Very high | 11 Ų | 11 | 36 Ų | 36 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | -176 | -175.3 | 65.8 | 0 | 0 | 0 | 113.6 | A1114 L1124 L1188 L1191 T1264 L1268 F1283 L1287 | A1114-L1118 WeakPolarHBondContact O-CB 3.18Å; A1114-L1118 PolarHBondContact O-N 2.9Å; L1118-L1124 HydrophobicContact CD1-CD2 3.39Å; L1118-L1188 HydrophobicContact CD1-CD2 4.39Å; L1118-L1191 HydrophobicContact CD1-CD1 4.37Å; L1118-L1191 HydrophobicContact CD2-CD1 4.47Å; L1118-T1264 HydrophobicContact CD2-CG2 4.38Å; L1118-L1268 HydrophobicContact CD2-CD1 3.91Å; L1118-F1283 HydrophobicContact CD2-CE1 3.73Å; L1118-F1283 HydrophobicContact CD2-CZ 3.83Å; L1118-L1287 HydrophobicContact CD1-CD1 3.79Å; L1118-L1287 HydrophobicContact CD2-CD1 4.17Å |
| 1119 | I | 92.2 | Very high | 95 | Very high | 65 Ų | 65 | 39 Ų | 39 | 33% | 0.333 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -69.4 | -35.6 | 178.3 | -70.5 | 168.9 | 0 | 0 | 0 | 111.1 | V1115 E1117 T1264 | V1115-I1119 HydrophobicContact CG1-CD1 3.78Å; V1115-I1119 WeakPolarHBondContact O-CB 3.46Å; V1115-I1119 WeakPolarHBondContact O-CD1 3.36Å; V1115-I1119 VanDerWaalsContact O-CG1 3.27Å; V1115-I1119 WeakPolarHBondContact O-CG1 3.43Å; V1115-I1119 PolarHBondContact O-N 3.3Å; V1115-I1119 VanDerWaalsContact O-N 3.11Å; E1117-I1119 PolarHBondContact O-N 3.03Å; I1119-T1264 HydrophobicContact CD1-CG2 4.3Å; I1119-T1264 HydrophobicContact CG1-CG2 4.32Å |
| 1120 | N | 92.5 | Very high | 95 | Very high | 104 Ų | 104 | 38 Ų | 38 | 56% | 0.556 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -85.2 | -27.2 | -177.1 | -73.5 | -64.2 | 0 | 0 | 0 | 113.8 | I1116 E1117 K1122 R1125 | I1116-N1120 WeakPolarHBondContact O-CB 3.21Å; I1116-N1120 PolarHBondContact O-N 3.23Å; I1116-N1120 PolarHBondContact O-ND2 2.9Å; E1117-N1120 PolarHBondContact O-N 2.78Å; N1120-K1122 PolarHBondContact O-N 3.13Å; N1120-R1125 PolarHBondContact O-NH2 2.99Å |
| 1121 | C | 94.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | trans | -47 | 120.2 | -178 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | E1117 L1124 R1125 E1187 L1188 | E1117-C1121 WeakPolarHBondContact O-CB 3.44Å; E1117-C1121 PolarHBondContact O-N 3.23Å; C1121-L1124 HydrophobicContact CB-CB 4.12Å; C1121-L1124 VanDerWaalsContact SG-CB 3.54Å; C1121-L1124 PolarHBondContact SG-N 3.34Å; C1121-R1125 PolarHBondContact O-NE 3.21Å; C1121-E1187 PolarHBondContact SG-OE2 2.81Å; C1121-L1188 HydrophobicContact CB-CD2 4.22Å | ||
| 1122 | K | 93.6 | Very high | 94.7 | Very high | 115 Ų | 115 | 39 Ų | 39 | 50% | 0.5 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -81.3 | -46 | 176.5 | -68.5 | -178.4 | -178.9 | 178.5 | 0 | 110.7 | N1120 L1124 R1125 Y1126 | N1120-K1122 PolarHBondContact O-N 3.13Å; K1122-L1124 VanDerWaalsContact C-N 3.29Å; K1122-L1124 PolarHBondContact O-N 3.11Å; K1122-R1125 WeakPolarHBondContact O-CA 3.49Å; K1122-R1125 WeakPolarHBondContact O-CB 3.35Å; K1122-R1125 PolarHBondContact O-N 3.45Å; K1122-Y1126 HydrophobicContact CB-CE2 4.14Å; K1122-Y1126 PolarHBondContact O-N 2.85Å |
| 1123 | T | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.3 | -40 | -177 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | R1125 Y1126 I1127 T1182 L1184 Y1294 | T1123-R1125 VanDerWaalsContact C-N 3.34Å; T1123-R1125 PolarHBondContact O-N 3.02Å; T1123-Y1126 PolarHBondContact O-N 3.17Å; T1123-I1127 HydrophobicContact CG2-CD1 4.04Å; T1123-I1127 WeakPolarHBondContact O-CB 3.28Å; T1123-I1127 VanDerWaalsContact O-CG1 3.24Å; T1123-I1127 WeakPolarHBondContact O-CG1 3.44Å; T1123-I1127 PolarHBondContact O-N 3.17Å; T1123-T1182 PolarHBondContact OG1-N 3.11Å; T1123-T1182 VanDerWaalsContact OG1-N 3.09Å; T1123-T1182 PolarHBondContact OG1-OG1 3.01Å; T1123-L1184 HydrophobicContact CG2-CD1 3.82Å; T1123-Y1294 HydrophobicContact CG2-CE1 3.99Å |
| 1124 | L | 95.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 172.7 | -178.3 | 58 | 0 | 0 | 0 | 111.8 | L1118 C1121 K1122 I1127 L1128 L1184 L1287 | L1118-L1124 HydrophobicContact CD1-CD2 3.39Å; C1121-L1124 HydrophobicContact CB-CB 4.12Å; C1121-L1124 VanDerWaalsContact SG-CB 3.54Å; C1121-L1124 PolarHBondContact SG-N 3.34Å; K1122-L1124 VanDerWaalsContact C-N 3.29Å; K1122-L1124 PolarHBondContact O-N 3.11Å; L1124-I1127 PolarHBondContact O-N 2.62Å; L1124-L1128 HydrophobicContact CD1-CD1 4.05Å; L1124-L1128 HydrophobicContact CD1-CD2 4.48Å; L1124-L1128 HydrophobicContact CD1-CG 4Å; L1124-L1128 HydrophobicContact CG-CD1 3.87Å; L1124-L1128 HydrophobicContact CG-CG 4.27Å; L1124-L1128 WeakPolarHBondContact O-CB 3.34Å; L1124-L1128 VanDerWaalsContact O-CG 3.22Å; L1124-L1128 WeakPolarHBondContact O-CG 3.47Å; L1124-L1128 PolarHBondContact O-N 2.78Å; L1124-L1184 HydrophobicContact CB-CD1 4.03Å; L1124-L1184 HydrophobicContact CD1-CD2 4.38Å; L1124-L1287 HydrophobicContact CD1-CD2 4.41Å |
| 1125 | R | 94 | Very high | 94.2 | Very high | 125 Ų | 125 | 41.1 Ų | 41.1 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.1 | -37.3 | 179.3 | -69.5 | 179.5 | -79.2 | 169.4 | -6.9 | 112.1 | N1120 C1121 K1122 T1123 S1129 | N1120-R1125 PolarHBondContact O-NH2 2.99Å; C1121-R1125 PolarHBondContact O-NE 3.21Å; K1122-R1125 WeakPolarHBondContact O-CA 3.49Å; K1122-R1125 WeakPolarHBondContact O-CB 3.35Å; K1122-R1125 PolarHBondContact O-N 3.45Å; T1123-R1125 VanDerWaalsContact C-N 3.34Å; T1123-R1125 PolarHBondContact O-N 3.02Å; R1125-S1129 VanDerWaalsContact O-CB 3.3Å; R1125-S1129 WeakPolarHBondContact O-CB 3.38Å; R1125-S1129 PolarHBondContact O-N 2.83Å |
| 1126 | Y | 95 | Very high | 94 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 18% | 0.184 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -50.6 | 170.8 | -58.1 | -22.6 | 0 | 0 | 0 | 111 | K1122 T1123 L1128 S1129 V1130 F1178 D1180 | K1122-Y1126 HydrophobicContact CB-CE2 4.14Å; K1122-Y1126 PolarHBondContact O-N 2.85Å; T1123-Y1126 PolarHBondContact O-N 3.17Å; Y1126-L1128 PolarHBondContact O-N 2.79Å; Y1126-S1129 PolarHBondContact O-N 3.14Å; Y1126-V1130 WeakPolarHBondContact O-CG2 3.5Å; Y1126-V1130 PolarHBondContact O-N 3.15Å; Y1126-F1178 AromaticContact CD1-CD1 3.97Å; Y1126-F1178 HydrophobicContact CD1-CD1 3.97Å; Y1126-F1178 HydrophobicContact CD1-CD2 4.5Å; Y1126-F1178 HydrophobicContact CD1-CE1 4.16Å; Y1126-F1178 HydrophobicContact CD1-CG 4.16Å; Y1126-F1178 HydrophobicContact CD2-CB 3.56Å; Y1126-F1178 HydrophobicContact CD2-CD1 4.17Å; Y1126-F1178 HydrophobicContact CD2-CD2 4.27Å; Y1126-F1178 AromaticContact CD2-CG 3.73Å; Y1126-F1178 HydrophobicContact CD2-CG 3.73Å; Y1126-F1178 AromaticContact CE1-CD1 3.99Å; Y1126-F1178 HydrophobicContact CE1-CD1 3.99Å; Y1126-F1178 HydrophobicContact CE1-CE1 4.32Å; Y1126-F1178 HydrophobicContact CE1-CG 4.49Å; Y1126-F1178 HydrophobicContact CE2-CB 3.75Å; Y1126-F1178 HydrophobicContact CE2-CD1 4.16Å; Y1126-F1178 HydrophobicContact CE2-CG 4.07Å; Y1126-F1178 HydrophobicContact CG-CB 4.13Å; Y1126-F1178 HydrophobicContact CG-CD1 4.07Å; Y1126-F1178 AromaticContact CG-CD2 3.99Å; Y1126-F1178 HydrophobicContact CG-CD2 3.99Å; Y1126-F1178 HydrophobicContact CG-CE2 4.48Å; Y1126-F1178 AromaticContact CG-CG 3.77Å; Y1126-F1178 HydrophobicContact CG-CG 3.77Å; Y1126-D1180 WeakPolarHBondContact CE2-OD1 3.41Å; Y1126-D1180 PolarHBondContact OH-OD2 2.91Å |
| 1127 | I | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.9 | -51 | 176.8 | -71.6 | 166.3 | 0 | 0 | 0 | 111.2 | T1123 L1124 S1129 V1130 L1131 V1170 V1174 L1184 F1290 Y1294 | T1123-I1127 HydrophobicContact CG2-CD1 4.04Å; T1123-I1127 WeakPolarHBondContact O-CB 3.28Å; T1123-I1127 VanDerWaalsContact O-CG1 3.24Å; T1123-I1127 WeakPolarHBondContact O-CG1 3.44Å; T1123-I1127 PolarHBondContact O-N 3.17Å; L1124-I1127 PolarHBondContact O-N 2.62Å; I1127-S1129 VanDerWaalsContact C-N 3.31Å; I1127-S1129 PolarHBondContact O-N 2.95Å; I1127-V1130 PolarHBondContact O-N 2.83Å; I1127-L1131 WeakPolarHBondContact O-CB 3.22Å; I1127-L1131 PolarHBondContact O-N 3.02Å; I1127-V1170 HydrophobicContact CG2-CG1 4.21Å; I1127-V1174 HydrophobicContact CG1-CG2 4.2Å; I1127-L1184 HydrophobicContact CD1-CD1 4.13Å; I1127-L1184 HydrophobicContact CD1-CD2 4.33Å; I1127-F1290 HydrophobicContact CD1-CE1 4.2Å; I1127-F1290 HydrophobicContact CD1-CZ 4.35Å; I1127-F1290 HydrophobicContact CG2-CE1 4.08Å; I1127-F1290 HydrophobicContact CG2-CZ 3.77Å; I1127-Y1294 HydrophobicContact CD1-CD1 4.15Å; I1127-Y1294 HydrophobicContact CD1-CD2 3.64Å; I1127-Y1294 HydrophobicContact CD1-CE1 4.03Å; I1127-Y1294 HydrophobicContact CD1-CE2 3.51Å; I1127-Y1294 HydrophobicContact CD1-CG 3.96Å; I1127-Y1294 HydrophobicContact CG1-CD2 4.27Å; I1127-Y1294 HydrophobicContact CG1-CE2 3.81Å |
| 1128 | L | 95 | Very high | 93.7 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 18% | 0.183 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -36.2 | -178.8 | -69.5 | 173.2 | 0 | 0 | 0 | 111.8 | L1124 Y1126 L1132 F1146 L1151 | L1124-L1128 HydrophobicContact CD1-CD1 4.05Å; L1124-L1128 HydrophobicContact CD1-CD2 4.48Å; L1124-L1128 HydrophobicContact CD1-CG 4Å; L1124-L1128 HydrophobicContact CG-CD1 3.87Å; L1124-L1128 HydrophobicContact CG-CG 4.27Å; L1124-L1128 WeakPolarHBondContact O-CB 3.34Å; L1124-L1128 VanDerWaalsContact O-CG 3.22Å; L1124-L1128 WeakPolarHBondContact O-CG 3.47Å; L1124-L1128 PolarHBondContact O-N 2.78Å; Y1126-L1128 PolarHBondContact O-N 2.79Å; L1128-L1132 VanDerWaalsContact O-CB 3.26Å; L1128-L1132 WeakPolarHBondContact O-CB 3.38Å; L1128-L1132 PolarHBondContact O-N 3.22Å; L1128-F1146 HydrophobicContact CB-CZ 4.5Å; L1128-F1146 HydrophobicContact CD2-CE2 3.64Å; L1128-F1146 HydrophobicContact CD2-CZ 3.48Å; L1128-F1146 VanDerWaalsContact CD2-CZ 3.48Å; L1128-L1151 HydrophobicContact CD2-CD2 4.1Å |
| 1129 | S | 93.4 | Very high | 93.5 | Very high | 66 Ų | 66 | 57 Ų | 57 | 46% | 0.462 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.3 | -47.4 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 112.6 | R1125 Y1126 I1127 L1132 S1133 | R1125-S1129 VanDerWaalsContact O-CB 3.3Å; R1125-S1129 WeakPolarHBondContact O-CB 3.38Å; R1125-S1129 PolarHBondContact O-N 2.83Å; Y1126-S1129 PolarHBondContact O-N 3.14Å; I1127-S1129 VanDerWaalsContact C-N 3.31Å; I1127-S1129 PolarHBondContact O-N 2.95Å; S1129-L1132 PolarHBondContact O-N 2.98Å; S1129-S1133 WeakPolarHBondContact O-CB 3.36Å; S1129-S1133 PolarHBondContact O-N 3.28Å; S1129-S1133 PolarHBondContact O-OG 3.16Å |
| 1130 | V | 95.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | Y1126 I1127 S1133 I1134 V1170 I1173 V1174 F1178 | Y1126-V1130 WeakPolarHBondContact O-CG2 3.5Å; Y1126-V1130 PolarHBondContact O-N 3.15Å; I1127-V1130 PolarHBondContact O-N 2.83Å; V1130-S1133 WeakPolarHBondContact O-CB 3.26Å; V1130-S1133 PolarHBondContact O-N 3.03Å; V1130-I1134 HydrophobicContact CG1-CD1 3.7Å; V1130-I1134 WeakPolarHBondContact O-CG1 3.45Å; V1130-I1134 PolarHBondContact O-N 2.86Å; V1130-V1170 HydrophobicContact CG1-CB 4.48Å; V1130-V1170 HydrophobicContact CG1-CG1 4.15Å; V1130-V1170 HydrophobicContact CG1-CG2 4.46Å; V1130-I1173 HydrophobicContact CG1-CB 4.02Å; V1130-I1173 HydrophobicContact CG1-CG2 3.71Å; V1130-I1173 HydrophobicContact CG2-CG2 4.01Å; V1130-V1174 HydrophobicContact CB-CG2 4.19Å; V1130-V1174 HydrophobicContact CG1-CG2 4.49Å; V1130-V1174 HydrophobicContact CG2-CG2 3.86Å; V1130-F1178 HydrophobicContact CG2-CE2 4.08Å |
| 1131 | L | 95.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | 178.3 | 178.3 | 56.7 | 0 | 0 | 0 | 113 | I1127 S1133 I1134 G1135 F1146 L1151 L1154 L1166 V1170 | I1127-L1131 WeakPolarHBondContact O-CB 3.22Å; I1127-L1131 PolarHBondContact O-N 3.02Å; L1131-S1133 VanDerWaalsContact C-N 3.28Å; L1131-S1133 PolarHBondContact O-N 3.47Å; L1131-I1134 PolarHBondContact O-N 3.43Å; L1131-G1135 PolarHBondContact O-N 3.39Å; L1131-F1146 HydrophobicContact CB-CE1 4.41Å; L1131-F1146 HydrophobicContact CB-CZ 4.18Å; L1131-F1146 HydrophobicContact CD2-CE1 4.28Å; L1131-F1146 HydrophobicContact CD2-CE2 3.89Å; L1131-F1146 HydrophobicContact CD2-CZ 3.53Å; L1131-F1146 HydrophobicContact CG-CE1 4.04Å; L1131-F1146 HydrophobicContact CG-CZ 3.78Å; L1131-L1151 HydrophobicContact CD2-CD2 3.99Å; L1131-L1154 HydrophobicContact CD1-CD2 3.54Å; L1131-L1154 HydrophobicContact CD2-CD1 3.64Å; L1131-L1154 HydrophobicContact CD2-CD2 3.69Å; L1131-L1154 HydrophobicContact CD2-CG 4.24Å; L1131-L1154 HydrophobicContact CG-CD2 4.29Å; L1131-L1166 HydrophobicContact CD1-CD2 4.38Å; L1131-V1170 HydrophobicContact CB-CG2 4.5Å; L1131-V1170 HydrophobicContact CD1-CG2 4.35Å |
| 1132 | L | 92.8 | Very high | 93 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 174.2 | -177.3 | 61.9 | 0 | 0 | 0 | 111 | L1128 S1129 G1135 N1136 A1143 F1146 | L1128-L1132 VanDerWaalsContact O-CB 3.26Å; L1128-L1132 WeakPolarHBondContact O-CB 3.38Å; L1128-L1132 PolarHBondContact O-N 3.22Å; S1129-L1132 PolarHBondContact O-N 2.98Å; L1132-G1135 PolarHBondContact O-N 3.28Å; L1132-N1136 VanDerWaalsContact O-CB 3.28Å; L1132-N1136 WeakPolarHBondContact O-CB 3.38Å; L1132-N1136 PolarHBondContact O-N 3.19Å; L1132-N1136 PolarHBondContact O-ND2 2.9Å; L1132-A1143 HydrophobicContact CD1-CB 4.5Å; L1132-F1146 HydrophobicContact CB-CE1 4.01Å; L1132-F1146 HydrophobicContact CD1-CD1 4.03Å; L1132-F1146 HydrophobicContact CD1-CE1 4.37Å |
| 1133 | S | 93.8 | Very high | 92.8 | Very high | 72 Ų | 72 | 58 Ų | 58 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.7 | -47.8 | 178.9 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | S1129 V1130 L1131 N1136 F1137 | S1129-S1133 WeakPolarHBondContact O-CB 3.36Å; S1129-S1133 PolarHBondContact O-N 3.28Å; S1129-S1133 PolarHBondContact O-OG 3.16Å; V1130-S1133 WeakPolarHBondContact O-CB 3.26Å; V1130-S1133 PolarHBondContact O-N 3.03Å; L1131-S1133 VanDerWaalsContact C-N 3.28Å; L1131-S1133 PolarHBondContact O-N 3.47Å; S1133-N1136 PolarHBondContact O-N 3.28Å; S1133-F1137 WeakPolarHBondContact O-CB 3.36Å; S1133-F1137 PolarHBondContact O-N 2.93Å; S1133-F1137 VanDerWaalsContact O-N 3.07Å |
| 1134 | I | 93.6 | Very high | 92.6 | Very high | 33 Ų | 33 | 70 Ų | 70 | 17% | 0.169 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 176 | -64.4 | 163.8 | 0 | 0 | 0 | 110.8 | V1130 L1131 F1137 L1138 L1166 V1170 I1173 | V1130-I1134 HydrophobicContact CG1-CD1 3.7Å; V1130-I1134 WeakPolarHBondContact O-CG1 3.45Å; V1130-I1134 PolarHBondContact O-N 2.86Å; L1131-I1134 PolarHBondContact O-N 3.43Å; I1134-F1137 PolarHBondContact O-N 3.09Å; I1134-L1138 HydrophobicContact CG2-CD1 3.62Å; I1134-L1138 HydrophobicContact CG2-CG 4.07Å; I1134-L1138 WeakPolarHBondContact O-CB 3.42Å; I1134-L1138 WeakPolarHBondContact O-CG 3.14Å; I1134-L1138 PolarHBondContact O-N 3.37Å; I1134-L1166 HydrophobicContact CG2-CD1 3.97Å; I1134-V1170 HydrophobicContact CD1-CG2 3.9Å; I1134-I1173 HydrophobicContact CD1-CD1 3.91Å |
| 1135 | G | 90.8 | Very high | 92.2 | Very high | 22 Ų | 22 | 72 Ų | 72 | 23% | 0.227 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1131 L1132 N1139 | L1131-G1135 PolarHBondContact O-N 3.39Å; L1132-G1135 PolarHBondContact O-N 3.28Å; G1135-N1139 WeakPolarHBondContact O-CB 3.11Å; G1135-N1139 PolarHBondContact O-N 3.5Å; G1135-N1139 VanDerWaalsContact O-N 3.11Å; G1135-N1139 PolarHBondContact O-ND2 3.01Å |
| 1136 | N | 91.1 | Very high | 92.1 | Very high | 37 Ų | 37 | 69.1 Ų | 69.1 | 20% | 0.198 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 174.3 | -83 | -18.9 | 0 | 0 | 0 | 111.6 | L1132 S1133 G1140 S1141 A1143 | L1132-N1136 VanDerWaalsContact O-CB 3.28Å; L1132-N1136 WeakPolarHBondContact O-CB 3.38Å; L1132-N1136 PolarHBondContact O-N 3.19Å; L1132-N1136 PolarHBondContact O-ND2 2.9Å; S1133-N1136 PolarHBondContact O-N 3.28Å; N1136-G1140 PolarHBondContact O-N 2.54Å; N1136-G1140 VanDerWaalsContact O-N 3.11Å; N1136-S1141 CarbonylContact C-O 3.44Å; N1136-S1141 WeakPolarHBondContact CA-O 3.17Å; N1136-S1141 WeakPolarHBondContact CB-O 3.44Å; N1136-S1141 VanDerWaalsContact CG-O 3.26Å; N1136-S1141 PolarHBondContact O-N 2.97Å; N1136-S1141 PolarHBondContact OD1-O 3.47Å; N1136-A1143 PolarHBondContact ND2-O 3.46Å; N1136-A1143 WeakPolarHBondContact OD1-CA 3.23Å; N1136-A1143 WeakPolarHBondContact OD1-CB 3.05Å; N1136-A1143 PolarHBondContact OD1-N 3.22Å; N1136-A1143 PolarHBondContact OD1-O 2.66Å |
| 1137 | F | 93.1 | Very high | 91.9 | Very high | 172 Ų | 172 | 69.9 Ų | 69.9 | 75% | 0.754 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.2 | -54.8 | 176.5 | 178.5 | -101.1 | 0 | 0 | 0 | 112.5 | S1133 I1134 N1139 G1140 | S1133-F1137 WeakPolarHBondContact O-CB 3.36Å; S1133-F1137 PolarHBondContact O-N 2.93Å; S1133-F1137 VanDerWaalsContact O-N 3.07Å; I1134-F1137 PolarHBondContact O-N 3.09Å; F1137-N1139 VanDerWaalsContact C-N 3.33Å; F1137-N1139 PolarHBondContact O-N 2.92Å; F1137-G1140 PolarHBondContact O-N 3.42Å |
| 1138 | L | 90.8 | Very high | 91.7 | Very high | 116 Ų | 116 | 70.2 Ų | 70.2 | 61% | 0.607 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.5 | -31.8 | -175.9 | -68.8 | 178 | 0 | 0 | 0 | 113.5 | I1134 | I1134-L1138 HydrophobicContact CG2-CD1 3.62Å; I1134-L1138 HydrophobicContact CG2-CG 4.07Å; I1134-L1138 WeakPolarHBondContact O-CB 3.42Å; I1134-L1138 WeakPolarHBondContact O-CG 3.14Å; I1134-L1138 PolarHBondContact O-N 3.37Å |
| 1139 | N | 90.5 | Very high | 91.5 | Very high | 126 Ų | 126 | 70 Ų | 70 | 67% | 0.674 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.7 | 178.3 | -63.2 | -73.7 | 0 | 0 | 0 | 113.5 | G1135 F1137 S1141 | G1135-N1139 WeakPolarHBondContact O-CB 3.11Å; G1135-N1139 PolarHBondContact O-N 3.5Å; G1135-N1139 VanDerWaalsContact O-N 3.11Å; G1135-N1139 PolarHBondContact O-ND2 3.01Å; F1137-N1139 VanDerWaalsContact C-N 3.33Å; F1137-N1139 PolarHBondContact O-N 2.92Å; N1139-S1141 PolarHBondContact O-N 3.29Å |
| 1140 | G | 89.3 | Confident | 91.5 | Very high | 77 Ų | 77 | 71.1 Ų | 71.1 | 79% | 0.794 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 32.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | N1136 F1137 | N1136-G1140 PolarHBondContact O-N 2.54Å; N1136-G1140 VanDerWaalsContact O-N 3.11Å; F1137-G1140 PolarHBondContact O-N 3.42Å |
| 1141 | S | 89.3 | Confident | 91.5 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | trans | -126.7 | 162.7 | -167.2 | 74.3 | 0 | 0 | 0 | 0 | 112.9 | N1136 N1139 | N1136-S1141 CarbonylContact C-O 3.44Å; N1136-S1141 WeakPolarHBondContact CA-O 3.17Å; N1136-S1141 WeakPolarHBondContact CB-O 3.44Å; N1136-S1141 VanDerWaalsContact CG-O 3.26Å; N1136-S1141 PolarHBondContact O-N 2.97Å; N1136-S1141 PolarHBondContact OD1-O 3.47Å; N1139-S1141 PolarHBondContact O-N 3.29Å | ||
| 1142 | T | 91.1 | Very high | 91.4 | Very high | 136 Ų | 136 | 72.2 Ų | 72.2 | 83% | 0.834 | 42% | 0.416 | S | S | * | . | trans | -116.6 | 49.6 | -180 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1143 | A | 89.1 | Confident | 91.5 | Very high | 45 Ų | 45 | 77.2 Ų | 77.2 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | trans | -65.1 | 144 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1132 N1136 | L1132-A1143 HydrophobicContact CD1-CB 4.5Å; N1136-A1143 PolarHBondContact ND2-O 3.46Å; N1136-A1143 WeakPolarHBondContact OD1-CA 3.23Å; N1136-A1143 WeakPolarHBondContact OD1-CB 3.05Å; N1136-A1143 PolarHBondContact OD1-N 3.22Å; N1136-A1143 PolarHBondContact OD1-O 2.66Å | ||
| 1144 | R | 89.6 | Confident | 91.5 | Very high | 252 Ų | 252 | 73.8 Ų | 73.8 | 95% | 0.951 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -91.7 | -5.6 | 177.8 | -76.8 | -174.2 | 162.4 | -156.6 | -6.2 | 114 | ||
| 1145 | G | 88.6 | Confident | 91.5 | Very high | 47 Ų | 47 | 73.3 Ų | 73.3 | 49% | 0.485 | 41% | 0.407 | S | S | . | . | trans | 170.5 | 174.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1146 | F | 91.6 | Very high | 91.6 | Very high | 64 Ų | 64 | 78.9 Ų | 78.9 | 28% | 0.281 | 43% | 0.427 | S | S | . | . | trans | -144.9 | 157.9 | 178.2 | 54.1 | -94.3 | 0 | 0 | 0 | 109.9 | L1128 L1131 L1132 L1151 | L1128-F1146 HydrophobicContact CB-CZ 4.5Å; L1128-F1146 HydrophobicContact CD2-CE2 3.64Å; L1128-F1146 HydrophobicContact CD2-CZ 3.48Å; L1128-F1146 VanDerWaalsContact CD2-CZ 3.48Å; L1131-F1146 HydrophobicContact CB-CE1 4.41Å; L1131-F1146 HydrophobicContact CB-CZ 4.18Å; L1131-F1146 HydrophobicContact CD2-CE1 4.28Å; L1131-F1146 HydrophobicContact CD2-CE2 3.89Å; L1131-F1146 HydrophobicContact CD2-CZ 3.53Å; L1131-F1146 HydrophobicContact CG-CE1 4.04Å; L1131-F1146 HydrophobicContact CG-CZ 3.78Å; L1132-F1146 HydrophobicContact CB-CE1 4.01Å; L1132-F1146 HydrophobicContact CD1-CD1 4.03Å; L1132-F1146 HydrophobicContact CD1-CE1 4.37Å; F1146-L1151 HydrophobicContact CE2-CD2 4.35Å | ||
| 1147 | T | 89.9 | Confident | 91.7 | Very high | 62 Ų | 62 | 80 Ų | 80 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | trans | -70.6 | 133.6 | 175 | 48.6 | 0 | 0 | 0 | 0 | 111.1 | D1149 Y1150 | T1147-D1149 PolarHBondContact O-N 2.99Å; T1147-Y1150 PolarHBondContact O-N 3.36Å | ||
| 1148 | L | 92 | Very high | 91.7 | Very high | 8 Ų | 8 | 78.2 Ų | 78.2 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -59.4 | -18.8 | -177.5 | -83.3 | 66.2 | 0 | 0 | 0 | 113.5 | Y1150 L1151 L1268 Y1270 F1283 L1287 | L1148-Y1150 PolarHBondContact O-N 3.41Å; L1148-L1151 HydrophobicContact CB-CD1 4.24Å; L1148-L1151 HydrophobicContact CG-CD1 4.19Å; L1148-L1151 VanDerWaalsContact O-CB 3.3Å; L1148-L1151 WeakPolarHBondContact O-CB 3.42Å; L1148-L1151 VanDerWaalsContact O-CG 3.27Å; L1148-L1151 WeakPolarHBondContact O-CG 3.26Å; L1148-L1151 PolarHBondContact O-N 3.22Å; L1148-L1268 HydrophobicContact CD1-CB 4.38Å; L1148-L1268 HydrophobicContact CD2-CD1 4.16Å; L1148-L1268 HydrophobicContact CD2-CD2 4.35Å; L1148-Y1270 HydrophobicContact CB-CE2 4.43Å; L1148-Y1270 HydrophobicContact CD1-CE2 4.49Å; L1148-F1283 HydrophobicContact CD2-CE2 4.09Å; L1148-F1283 HydrophobicContact CD2-CZ 4.29Å; L1148-L1287 HydrophobicContact CD2-CD1 4.26Å; L1148-L1287 HydrophobicContact CD2-CD2 4.34Å |
| 1149 | D | 91 | Very high | 91.7 | Very high | 31 Ų | 31 | 74.4 Ų | 74.4 | 17% | 0.166 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -54.9 | -20.9 | 172.1 | -44.4 | -51.5 | 0 | 0 | 0 | 113.6 | T1147 L1151 Y1270 R1274 I1286 | T1147-D1149 PolarHBondContact O-N 2.99Å; D1149-L1151 VanDerWaalsContact C-N 3.34Å; D1149-Y1270 PolarHBondContact OD1-OH 3.37Å; D1149-Y1270 PolarHBondContact OD2-OH 2.83Å; D1149-R1274 IonicContact OD2-CZ 3.17Å; D1149-R1274 IonicContact OD2-NE 2.67Å; D1149-R1274 IonicContact OD2-NH2 2.65Å; D1149-R1274 PolarHBondContact OD2-NH2 3.08Å; D1149-I1286 HydrophobicContact CB-CD1 4.49Å |
| 1150 | Y | 93.5 | Very high | 91.7 | Very high | 88 Ų | 88 | 74.5 Ų | 74.5 | 35% | 0.345 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -74.2 | -19.7 | 175.1 | -170.8 | -102 | 0 | 0 | 0 | 113.9 | T1147 L1148 G1152 R1153 L1154 | T1147-Y1150 PolarHBondContact O-N 3.36Å; L1148-Y1150 PolarHBondContact O-N 3.41Å; Y1150-G1152 PolarHBondContact O-N 2.79Å; Y1150-R1153 HydrophobicContact CD2-CB 4.44Å; Y1150-R1153 HydrophobicContact CE2-CB 4.29Å; Y1150-R1153 PolarHBondContact O-N 3.48Å; Y1150-L1154 HydrophobicContact CD1-CD2 4.22Å; Y1150-L1154 HydrophobicContact CE1-CD2 3.84Å |
| 1151 | L | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -57.5 | -35.1 | -178 | -67 | 177 | 0 | 0 | 0 | 112.3 | L1128 L1131 F1146 L1148 D1149 R1153 L1154 L1287 F1290 | L1128-L1151 HydrophobicContact CD2-CD2 4.1Å; L1131-L1151 HydrophobicContact CD2-CD2 3.99Å; F1146-L1151 HydrophobicContact CE2-CD2 4.35Å; L1148-L1151 HydrophobicContact CB-CD1 4.24Å; L1148-L1151 HydrophobicContact CG-CD1 4.19Å; L1148-L1151 VanDerWaalsContact O-CB 3.3Å; L1148-L1151 WeakPolarHBondContact O-CB 3.42Å; L1148-L1151 VanDerWaalsContact O-CG 3.27Å; L1148-L1151 WeakPolarHBondContact O-CG 3.26Å; L1148-L1151 PolarHBondContact O-N 3.22Å; D1149-L1151 VanDerWaalsContact C-N 3.34Å; L1151-R1153 PolarHBondContact O-N 3.06Å; L1151-L1154 HydrophobicContact CB-CD1 4.42Å; L1151-L1154 HydrophobicContact CD2-CD1 3.75Å; L1151-L1154 WeakPolarHBondContact O-CB 3.25Å; L1151-L1154 WeakPolarHBondContact O-CG 3.1Å; L1151-L1154 PolarHBondContact O-N 3.4Å; L1151-L1287 HydrophobicContact CD1-CD2 3.76Å; L1151-F1290 HydrophobicContact CB-CB 4.22Å; L1151-F1290 HydrophobicContact CB-CD1 4.38Å; L1151-F1290 HydrophobicContact CB-CD2 3.96Å; L1151-F1290 HydrophobicContact CB-CG 3.89Å; L1151-F1290 HydrophobicContact CD1-CD1 4.05Å; L1151-F1290 HydrophobicContact CD1-CE1 4.44Å; L1151-F1290 HydrophobicContact CD1-CG 4.37Å; L1151-F1290 HydrophobicContact CD2-CE1 4.32Å; L1151-F1290 HydrophobicContact CD2-CE2 4.43Å; L1151-F1290 HydrophobicContact CD2-CZ 4.28Å |
| 1152 | G | 93 | Very high | 91.3 | Very high | 39 Ų | 39 | 83.1 Ų | 83.1 | 40% | 0.402 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -67.2 | -9.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y1150 | Y1150-G1152 PolarHBondContact O-N 2.79Š|
| 1153 | R | 94 | Very high | 91.3 | Very high | 147 Ų | 147 | 83.1 Ų | 83.1 | 56% | 0.555 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -99.2 | -9.3 | 177.7 | -59.4 | -167.8 | -175.5 | -178.3 | -0.1 | 114.3 | Y1150 L1151 P1155 E1156 V1157 | Y1150-R1153 HydrophobicContact CD2-CB 4.44Å; Y1150-R1153 HydrophobicContact CE2-CB 4.29Å; Y1150-R1153 PolarHBondContact O-N 3.48Å; L1151-R1153 PolarHBondContact O-N 3.06Å; R1153-P1155 VanDerWaalsContact C-N 3.33Å; R1153-E1156 WeakPolarHBondContact CG-OE2 3.42Å; R1153-E1156 WeakPolarHBondContact O-CB 3.38Å; R1153-E1156 PolarHBondContact O-N 2.91Å; R1153-E1156 VanDerWaalsContact O-N 3.09Å; R1153-V1157 PolarHBondContact O-N 3.42Å |
| 1154 | L | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29.1 | 179.1 | -59.6 | 170.3 | 0 | 0 | 0 | 115 | L1131 Y1150 L1151 L1166 L1167 F1290 | L1131-L1154 HydrophobicContact CD1-CD2 3.54Å; L1131-L1154 HydrophobicContact CD2-CD1 3.64Å; L1131-L1154 HydrophobicContact CD2-CD2 3.69Å; L1131-L1154 HydrophobicContact CD2-CG 4.24Å; L1131-L1154 HydrophobicContact CG-CD2 4.29Å; Y1150-L1154 HydrophobicContact CD1-CD2 4.22Å; Y1150-L1154 HydrophobicContact CE1-CD2 3.84Å; L1151-L1154 HydrophobicContact CB-CD1 4.42Å; L1151-L1154 HydrophobicContact CD2-CD1 3.75Å; L1151-L1154 WeakPolarHBondContact O-CB 3.25Å; L1151-L1154 WeakPolarHBondContact O-CG 3.1Å; L1151-L1154 PolarHBondContact O-N 3.4Å; L1154-L1166 HydrophobicContact CD2-CD2 3.82Å; L1154-L1166 HydrophobicContact CD2-CG 4.13Å; L1154-L1166 PolarHBondContact O-N 3.44Å; L1154-L1167 HydrophobicContact CB-CB 4.1Å; L1154-L1167 PolarHBondContact O-N 2.84Å; L1154-F1290 HydrophobicContact CD1-CD2 4.18Å; L1154-F1290 HydrophobicContact CD1-CE2 3.51Å; L1154-F1290 HydrophobicContact CD1-CZ 4.14Å |
| 1155 | P | 93.6 | Very high | 91.6 | Very high | 23 Ų | 23 | 72.5 Ų | 72.5 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -29.2 | 171.4 | -17.8 | 32.4 | 0 | 0 | 0 | 113.6 | R1153 S1165 L1167 E1293 | R1153-P1155 VanDerWaalsContact C-N 3.33Å; P1155-S1165 WeakPolarHBondContact O-CB 3.34Å; P1155-L1167 HydrophobicContact CG-CD2 4.16Å; P1155-E1293 VanDerWaalsContact CB-OE2 3.25Å; P1155-E1293 WeakPolarHBondContact CB-OE2 3.42Å; P1155-E1293 VanDerWaalsContact CG-CD 3.42Å; P1155-E1293 WeakPolarHBondContact CG-OE1 3.32Å; P1155-E1293 WeakPolarHBondContact CG-OE2 3.36Å |
| 1156 | E | 93 | Very high | 92 | Very high | 138 Ų | 138 | 71.2 Ų | 71.2 | 65% | 0.645 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -43.7 | -173.3 | -53.3 | -178.6 | 136.9 | 0 | 0 | 112.1 | R1153 K1158 | R1153-E1156 WeakPolarHBondContact CG-OE2 3.42Å; R1153-E1156 WeakPolarHBondContact O-CB 3.38Å; R1153-E1156 PolarHBondContact O-N 2.91Å; R1153-E1156 VanDerWaalsContact O-N 3.09Å; E1156-K1158 PolarHBondContact O-N 3.08Å |
| 1157 | V | 93.9 | Very high | 92.2 | Very high | 62 Ų | 62 | 68.1 Ų | 68.1 | 38% | 0.376 | 33% | 0.334 | S | S | . | . | trans | -68.5 | 127.3 | 178.6 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | R1153 S1165 L1166 | R1153-V1157 PolarHBondContact O-N 3.42Å; V1157-S1165 CarbonylContact O-C 3.51Å; V1157-S1165 VanDerWaalsContact O-CA 3.26Å; V1157-S1165 WeakPolarHBondContact O-CA 3.5Å; V1157-L1166 HydrophobicContact CB-CB 4.02Å; V1157-L1166 HydrophobicContact CB-CD2 4.37Å; V1157-L1166 HydrophobicContact CG1-CB 4.09Å; V1157-L1166 HydrophobicContact CG1-CD2 4.22Å; V1157-L1166 PolarHBondContact O-N 3.14Å | ||
| 1158 | K | 93 | Very high | 92.5 | Very high | 133 Ų | 133 | 67.8 Ų | 67.8 | 58% | 0.578 | 33% | 0.328 | S | S | * | . | B | Isolated β-bridge | trans | -129.7 | 151.9 | -176.7 | -71.1 | 174.3 | 179.9 | -179.4 | 0 | 113 | E1156 N1164 | E1156-K1158 PolarHBondContact O-N 3.08Å; K1158-N1164 CarbonylContact C-O 3.59Å; K1158-N1164 WeakPolarHBondContact CA-O 3.42Å |
| 1159 | D | 90.7 | Very high | 92.7 | Very high | 37 Ų | 37 | 70.7 Ų | 70.7 | 20% | 0.198 | 34% | 0.341 | C | S | . | . | trans | -71.7 | 161.8 | 173.7 | 95.6 | -69.4 | 0 | 0 | 0 | 112.5 | K1161 Y1162 K1163 N1164 | D1159-K1161 WeakPolarHBondContact OD2-CA 3.41Å; D1159-K1161 WeakPolarHBondContact OD2-CB 3.31Å; D1159-K1161 PolarHBondContact OD2-N 3.35Å; D1159-Y1162 VanDerWaalsContact OD1-C 3.32Å; D1159-Y1162 PolarHBondContact OD1-N 2.54Å; D1159-Y1162 PolarHBondContact OD2-N 2.78Å; D1159-K1163 WeakPolarHBondContact O-CD 3.46Å; D1159-K1163 WeakPolarHBondContact OD1-CA 3.2Å; D1159-K1163 PolarHBondContact OD1-N 3.25Å; D1159-N1164 PolarHBondContact N-O 3.35Å; D1159-N1164 PolarHBondContact OD1-N 2.97Å | ||
| 1160 | T | 89.5 | Confident | 92.9 | Very high | 128 Ų | 128 | 69.2 Ų | 69.2 | 79% | 0.785 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -78.2 | -34.9 | -178.6 | 48.7 | 0 | 0 | 0 | 0 | 113 | K1163 | T1160-K1163 PolarHBondContact O-NZ 3.21Š|
| 1161 | K | 85.7 | Confident | 93.1 | Very high | 155 Ų | 155 | 65 Ų | 65 | 67% | 0.674 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -88.1 | -45.5 | -167.4 | -170 | 176.5 | -179.1 | -165 | 0 | 113.1 | D1159 | D1159-K1161 WeakPolarHBondContact OD2-CA 3.41Å; D1159-K1161 WeakPolarHBondContact OD2-CB 3.31Å; D1159-K1161 PolarHBondContact OD2-N 3.35Å |
| 1162 | Y | 85.4 | Confident | 93.1 | Very high | 151 Ų | 151 | 66.2 Ų | 66.2 | 59% | 0.592 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -114.1 | -7.4 | -173.2 | -61 | -69.7 | 0 | 0 | 0 | 114.5 | D1159 N1164 | D1159-Y1162 VanDerWaalsContact OD1-C 3.32Å; D1159-Y1162 PolarHBondContact OD1-N 2.54Å; D1159-Y1162 PolarHBondContact OD2-N 2.78Å; Y1162-N1164 PolarHBondContact O-N 3.33Å |
| 1163 | K | 89.6 | Confident | 93.2 | Very high | 136 Ų | 136 | 67 Ų | 67 | 59% | 0.591 | 32% | 0.32 | S | S | * | . | trans | 59.7 | 22.8 | -173.1 | -48.1 | -48.9 | -173.6 | -161.4 | 0 | 114.2 | D1159 T1160 | D1159-K1163 WeakPolarHBondContact O-CD 3.46Å; D1159-K1163 WeakPolarHBondContact OD1-CA 3.2Å; D1159-K1163 PolarHBondContact OD1-N 3.25Å; T1160-K1163 PolarHBondContact O-NZ 3.21Å | ||
| 1164 | N | 90.8 | Very high | 93.3 | Very high | 52 Ų | 52 | 60 Ų | 60 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | trans | -67.4 | 145.5 | 169.9 | -75.3 | -37.2 | 0 | 0 | 0 | 110 | K1158 D1159 Y1162 H1168 | K1158-N1164 CarbonylContact C-O 3.59Å; K1158-N1164 WeakPolarHBondContact CA-O 3.42Å; D1159-N1164 PolarHBondContact N-O 3.35Å; D1159-N1164 PolarHBondContact OD1-N 2.97Å; Y1162-N1164 PolarHBondContact O-N 3.33Å; N1164-H1168 HydrophobicContact CB-CB 4.3Å | ||
| 1165 | S | 95.9 | Very high | 93.2 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -75.8 | 156.7 | 177.1 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | P1155 V1157 L1167 H1168 H1169 | P1155-S1165 WeakPolarHBondContact O-CB 3.34Å; V1157-S1165 CarbonylContact O-C 3.51Å; V1157-S1165 VanDerWaalsContact O-CA 3.26Å; V1157-S1165 WeakPolarHBondContact O-CA 3.5Å; S1165-L1167 PolarHBondContact O-N 2.97Å; S1165-H1168 WeakPolarHBondContact O-CA 3.43Å; S1165-H1168 VanDerWaalsContact O-CB 3.31Å; S1165-H1168 WeakPolarHBondContact O-CB 3.28Å; S1165-H1168 PolarHBondContact O-N 3.34Å; S1165-H1168 PolarHBondContact OG-N 3.32Å; S1165-H1169 PolarHBondContact O-CD2 3.16Å; S1165-H1169 VanDerWaalsContact O-CD2 3.26Å; S1165-H1169 PolarHBondContact O-N 2.74Å |
| 1166 | L | 95.6 | Very high | 93.1 | Very high | 20 Ų | 20 | 64.4 Ų | 64.4 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.2 | -34.2 | 170.3 | 179.1 | 56.9 | 0 | 0 | 0 | 110.8 | L1131 I1134 L1154 V1157 H1168 H1169 V1170 | L1131-L1166 HydrophobicContact CD1-CD2 4.38Å; I1134-L1166 HydrophobicContact CG2-CD1 3.97Å; L1154-L1166 HydrophobicContact CD2-CD2 3.82Å; L1154-L1166 HydrophobicContact CD2-CG 4.13Å; L1154-L1166 PolarHBondContact O-N 3.44Å; V1157-L1166 HydrophobicContact CB-CB 4.02Å; V1157-L1166 HydrophobicContact CB-CD2 4.37Å; V1157-L1166 HydrophobicContact CG1-CB 4.09Å; V1157-L1166 HydrophobicContact CG1-CD2 4.22Å; V1157-L1166 PolarHBondContact O-N 3.14Å; L1166-H1168 PolarHBondContact O-N 3.22Å; L1166-H1169 PolarHBondContact O-N 3.11Å; L1166-V1170 HydrophobicContact CD1-CG2 4.41Å; L1166-V1170 WeakPolarHBondContact O-CG2 3.36Å; L1166-V1170 PolarHBondContact O-N 3.4Å |
| 1167 | L | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.4 | -40.5 | 170.3 | -177.2 | 53.5 | 0 | 0 | 0 | 113.5 | L1154 P1155 S1165 C1171 F1290 E1293 Y1294 T1297 | L1154-L1167 HydrophobicContact CB-CB 4.1Å; L1154-L1167 PolarHBondContact O-N 2.84Å; P1155-L1167 HydrophobicContact CG-CD2 4.16Å; S1165-L1167 PolarHBondContact O-N 2.97Å; L1167-C1171 WeakPolarHBondContact O-CB 3.41Å; L1167-C1171 PolarHBondContact O-N 2.8Å; L1167-F1290 HydrophobicContact CD1-CE2 3.7Å; L1167-F1290 HydrophobicContact CD1-CZ 4.16Å; L1167-E1293 HydrophobicContact CD2-CB 3.81Å; L1167-Y1294 HydrophobicContact CD1-CD2 4.01Å; L1167-T1297 HydrophobicContact CG-CG2 4.31Å |
| 1168 | H | 95.8 | Very high | 93.2 | Very high | 54 Ų | 54 | 63.3 Ų | 63.3 | 25% | 0.25 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 175 | 176.4 | 99.3 | 0 | 0 | 0 | 111.6 | N1164 S1165 L1166 C1171 S1172 T1297 I1301 | N1164-H1168 HydrophobicContact CB-CB 4.3Å; S1165-H1168 WeakPolarHBondContact O-CA 3.43Å; S1165-H1168 VanDerWaalsContact O-CB 3.31Å; S1165-H1168 WeakPolarHBondContact O-CB 3.28Å; S1165-H1168 PolarHBondContact O-N 3.34Å; S1165-H1168 PolarHBondContact OG-N 3.32Å; L1166-H1168 PolarHBondContact O-N 3.22Å; H1168-C1171 PolarHBondContact O-N 2.75Å; H1168-S1172 PolarHBondContact O-N 2.96Å; H1168-T1297 HydrophobicContact CB-CG2 4.11Å; H1168-I1301 WeakPolarHBondContact O-CD1 2.94Å |
| 1169 | H | 95.3 | Very high | 93 | Very high | 69 Ų | 69 | 62.4 Ų | 62.4 | 32% | 0.319 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 177.3 | -67.5 | -72.5 | 0 | 0 | 0 | 112.5 | S1165 L1166 C1171 S1172 I1173 | S1165-H1169 PolarHBondContact O-CD2 3.16Å; S1165-H1169 VanDerWaalsContact O-CD2 3.26Å; S1165-H1169 PolarHBondContact O-N 2.74Å; L1166-H1169 PolarHBondContact O-N 3.11Å; H1169-C1171 VanDerWaalsContact C-N 3.33Å; H1169-C1171 PolarHBondContact O-N 2.97Å; H1169-S1172 PolarHBondContact O-N 2.93Å; H1169-I1173 WeakPolarHBondContact O-CD1 3.35Å; H1169-I1173 VanDerWaalsContact O-CG1 3.32Å; H1169-I1173 WeakPolarHBondContact O-CG1 3.39Å; H1169-I1173 PolarHBondContact O-N 3.02Å; H1169-I1173 VanDerWaalsContact O-N 3.07Å |
| 1170 | V | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 173.5 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | I1127 V1130 L1131 I1134 L1166 I1173 V1174 | I1127-V1170 HydrophobicContact CG2-CG1 4.21Å; V1130-V1170 HydrophobicContact CG1-CB 4.48Å; V1130-V1170 HydrophobicContact CG1-CG1 4.15Å; V1130-V1170 HydrophobicContact CG1-CG2 4.46Å; L1131-V1170 HydrophobicContact CB-CG2 4.5Å; L1131-V1170 HydrophobicContact CD1-CG2 4.35Å; I1134-V1170 HydrophobicContact CD1-CG2 3.9Å; L1166-V1170 HydrophobicContact CD1-CG2 4.41Å; L1166-V1170 WeakPolarHBondContact O-CG2 3.36Å; L1166-V1170 PolarHBondContact O-N 3.4Å; V1170-I1173 PolarHBondContact O-N 2.89Å; V1170-V1174 HydrophobicContact CG1-CG2 4.39Å; V1170-V1174 WeakPolarHBondContact O-CB 3.26Å; V1170-V1174 VanDerWaalsContact O-CG2 3.3Å; V1170-V1174 WeakPolarHBondContact O-CG2 3.41Å; V1170-V1174 PolarHBondContact O-N 3.3Å |
| 1171 | C | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | -177.7 | -171.6 | 0 | 0 | 0 | 0 | 112.9 | L1167 H1168 H1169 V1174 L1175 Y1294 T1297 R1298 I1301 | L1167-C1171 WeakPolarHBondContact O-CB 3.41Å; L1167-C1171 PolarHBondContact O-N 2.8Å; H1168-C1171 PolarHBondContact O-N 2.75Å; H1169-C1171 VanDerWaalsContact C-N 3.33Å; H1169-C1171 PolarHBondContact O-N 2.97Å; C1171-V1174 PolarHBondContact O-N 3.37Å; C1171-L1175 WeakPolarHBondContact O-CG 3.46Å; C1171-L1175 PolarHBondContact O-N 2.94Å; C1171-Y1294 HydrophobicContact CB-CD2 4.27Å; C1171-Y1294 HydrophobicContact CB-CE2 3.86Å; C1171-Y1294 VanDerWaalsContact SG-CE2 3.58Å; C1171-T1297 HydrophobicContact CB-CG2 4.14Å; C1171-R1298 WeakPolarHBondContact SG-CA 3.41Å; C1171-R1298 VanDerWaalsContact SG-CB 3.55Å; C1171-I1301 HydrophobicContact CB-CD1 3.79Å |
| 1172 | S | 94.7 | Very high | 93.2 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 172.3 | -169.4 | 0 | 0 | 0 | 0 | 111 | H1168 H1169 V1174 L1175 D1176 R1305 | H1168-S1172 PolarHBondContact O-N 2.96Å; H1169-S1172 PolarHBondContact O-N 2.93Å; S1172-V1174 VanDerWaalsContact C-N 3.27Å; S1172-V1174 PolarHBondContact O-N 2.97Å; S1172-L1175 WeakPolarHBondContact O-CB 3.32Å; S1172-L1175 PolarHBondContact O-N 2.68Å; S1172-L1175 VanDerWaalsContact O-N 3.08Å; S1172-D1176 WeakPolarHBondContact O-CB 3.03Å; S1172-D1176 PolarHBondContact O-N 3.41Å; S1172-D1176 PolarHBondContact OG-OD2 3.04Å; S1172-R1305 PolarHBondContact OG-NH2 3.02Å |
| 1173 | I | 95.3 | Very high | 93.4 | Very high | 56 Ų | 56 | 47.9 Ų | 47.9 | 29% | 0.287 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.1 | -37.2 | -179.3 | -66.8 | 163.9 | 0 | 0 | 0 | 111.3 | V1130 I1134 H1169 V1170 D1176 Q1177 | V1130-I1173 HydrophobicContact CG1-CB 4.02Å; V1130-I1173 HydrophobicContact CG1-CG2 3.71Å; V1130-I1173 HydrophobicContact CG2-CG2 4.01Å; I1134-I1173 HydrophobicContact CD1-CD1 3.91Å; H1169-I1173 WeakPolarHBondContact O-CD1 3.35Å; H1169-I1173 VanDerWaalsContact O-CG1 3.32Å; H1169-I1173 WeakPolarHBondContact O-CG1 3.39Å; H1169-I1173 PolarHBondContact O-N 3.02Å; H1169-I1173 VanDerWaalsContact O-N 3.07Å; V1170-I1173 PolarHBondContact O-N 2.89Å; I1173-D1176 PolarHBondContact O-N 2.93Å; I1173-Q1177 HydrophobicContact CG2-CG 4.32Å; I1173-Q1177 WeakPolarHBondContact O-CB 3.41Å; I1173-Q1177 WeakPolarHBondContact O-CG 3.33Å; I1173-Q1177 PolarHBondContact O-N 2.99Å |
| 1174 | V | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.2 | -42.4 | 174.4 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | I1127 V1130 V1170 C1171 S1172 D1176 F1178 Y1294 | I1127-V1174 HydrophobicContact CG1-CG2 4.2Å; V1130-V1174 HydrophobicContact CB-CG2 4.19Å; V1130-V1174 HydrophobicContact CG1-CG2 4.49Å; V1130-V1174 HydrophobicContact CG2-CG2 3.86Å; V1170-V1174 HydrophobicContact CG1-CG2 4.39Å; V1170-V1174 WeakPolarHBondContact O-CB 3.26Å; V1170-V1174 VanDerWaalsContact O-CG2 3.3Å; V1170-V1174 WeakPolarHBondContact O-CG2 3.41Å; V1170-V1174 PolarHBondContact O-N 3.3Å; C1171-V1174 PolarHBondContact O-N 3.37Å; S1172-V1174 VanDerWaalsContact C-N 3.27Å; S1172-V1174 PolarHBondContact O-N 2.97Å; V1174-D1176 VanDerWaalsContact C-N 3.32Å; V1174-D1176 PolarHBondContact O-N 3.23Å; V1174-F1178 CarbonylContact O-C 3.56Å; V1174-F1178 VanDerWaalsContact O-CA 3.31Å; V1174-F1178 WeakPolarHBondContact O-CA 3.25Å; V1174-F1178 WeakPolarHBondContact O-CB 3.45Å; V1174-F1178 PolarHBondContact O-N 2.72Å; V1174-F1178 VanDerWaalsContact O-O 3.13Å; V1174-Y1294 WeakPolarHBondContact CG1-OH 3.45Å |
| 1175 | L | 93.9 | Very high | 93.6 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 13% | 0.131 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 174.2 | -73.3 | 169 | 0 | 0 | 0 | 112.9 | C1171 S1172 R1298 I1301 I1302 | C1171-L1175 WeakPolarHBondContact O-CG 3.46Å; C1171-L1175 PolarHBondContact O-N 2.94Å; S1172-L1175 WeakPolarHBondContact O-CB 3.32Å; S1172-L1175 PolarHBondContact O-N 2.68Å; S1172-L1175 VanDerWaalsContact O-N 3.08Å; L1175-R1298 HydrophobicContact CD1-CG 4.19Å; L1175-R1298 HydrophobicContact CD2-CG 4.06Å; L1175-R1298 HydrophobicContact CG-CG 4.42Å; L1175-I1301 HydrophobicContact CD1-CB 4.13Å; L1175-I1301 HydrophobicContact CD1-CG2 3.67Å; L1175-I1302 HydrophobicContact CD1-CG1 4.12Å; L1175-I1302 HydrophobicContact CD2-CD1 4.23Å; L1175-I1302 HydrophobicContact CD2-CG1 4.47Å |
| 1176 | D | 91.6 | Very high | 93.4 | Very high | 90 Ų | 90 | 44.2 Ų | 44.2 | 48% | 0.481 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -78.7 | -34.8 | -177.4 | -66.9 | -42 | 0 | 0 | 0 | 113.1 | S1172 I1173 V1174 R1305 | S1172-D1176 WeakPolarHBondContact O-CB 3.03Å; S1172-D1176 PolarHBondContact O-N 3.41Å; S1172-D1176 PolarHBondContact OG-OD2 3.04Å; I1173-D1176 PolarHBondContact O-N 2.93Å; V1174-D1176 VanDerWaalsContact C-N 3.32Å; V1174-D1176 PolarHBondContact O-N 3.23Å; D1176-R1305 IonicContact OD1-CZ 2.78Å; D1176-R1305 IonicContact OD1-NH1 3.76Å; D1176-R1305 PolarHBondContact OD1-NH1 3.28Å; D1176-R1305 IonicContact OD1-NH2 3.57Å; D1176-R1305 PolarHBondContact OD1-NH2 2.83Å; D1176-R1305 IonicContact OD2-CZ 2.62Å; D1176-R1305 IonicContact OD2-NH2 3.92Å; D1176-R1305 PolarHBondContact OD2-NH2 2.82Å |
| 1177 | Q | 93.8 | Very high | 93.2 | Very high | 124 Ų | 124 | 46.3 Ų | 46.3 | 58% | 0.579 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -97.3 | -27.1 | -178.9 | -64.2 | -174.9 | 4.8 | 0 | 0 | 113.7 | I1173 | I1173-Q1177 HydrophobicContact CG2-CG 4.32Å; I1173-Q1177 WeakPolarHBondContact O-CB 3.41Å; I1173-Q1177 WeakPolarHBondContact O-CG 3.33Å; I1173-Q1177 PolarHBondContact O-N 2.99Å |
| 1178 | F | 94.2 | Very high | 93.1 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 23% | 0.232 | 25% | 0.248 | C | C | . | . | trans | -130.8 | 74.9 | -175.5 | -51 | -74.1 | 0 | 0 | 0 | 109.8 | Y1126 V1130 V1174 D1180 S1181 | Y1126-F1178 AromaticContact CD1-CD1 3.97Å; Y1126-F1178 HydrophobicContact CD1-CD1 3.97Å; Y1126-F1178 HydrophobicContact CD1-CD2 4.5Å; Y1126-F1178 HydrophobicContact CD1-CE1 4.16Å; Y1126-F1178 HydrophobicContact CD1-CG 4.16Å; Y1126-F1178 HydrophobicContact CD2-CB 3.56Å; Y1126-F1178 HydrophobicContact CD2-CD1 4.17Å; Y1126-F1178 HydrophobicContact CD2-CD2 4.27Å; Y1126-F1178 AromaticContact CD2-CG 3.73Å; Y1126-F1178 HydrophobicContact CD2-CG 3.73Å; Y1126-F1178 AromaticContact CE1-CD1 3.99Å; Y1126-F1178 HydrophobicContact CE1-CD1 3.99Å; Y1126-F1178 HydrophobicContact CE1-CE1 4.32Å; Y1126-F1178 HydrophobicContact CE1-CG 4.49Å; Y1126-F1178 HydrophobicContact CE2-CB 3.75Å; Y1126-F1178 HydrophobicContact CE2-CD1 4.16Å; Y1126-F1178 HydrophobicContact CE2-CG 4.07Å; Y1126-F1178 HydrophobicContact CG-CB 4.13Å; Y1126-F1178 HydrophobicContact CG-CD1 4.07Å; Y1126-F1178 AromaticContact CG-CD2 3.99Å; Y1126-F1178 HydrophobicContact CG-CD2 3.99Å; Y1126-F1178 HydrophobicContact CG-CE2 4.48Å; Y1126-F1178 AromaticContact CG-CG 3.77Å; Y1126-F1178 HydrophobicContact CG-CG 3.77Å; V1130-F1178 HydrophobicContact CG2-CE2 4.08Å; V1174-F1178 CarbonylContact O-C 3.56Å; V1174-F1178 VanDerWaalsContact O-CA 3.31Å; V1174-F1178 WeakPolarHBondContact O-CA 3.25Å; V1174-F1178 WeakPolarHBondContact O-CB 3.45Å; V1174-F1178 PolarHBondContact O-N 2.72Å; V1174-F1178 VanDerWaalsContact O-O 3.13Å; F1178-D1180 PolarHBondContact O-N 2.85Å; F1178-D1180 VanDerWaalsContact O-N 3.14Å; F1178-S1181 WeakPolarHBondContact O-CB 3.11Å; F1178-S1181 PolarHBondContact O-N 3.32Å; F1178-S1181 PolarHBondContact O-OG 3.49Å | ||
| 1179 | P | 88.1 | Confident | 92.9 | Very high | 114 Ų | 114 | 44.8 Ų | 44.8 | 74% | 0.74 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.8 | 177.9 | 27.5 | -35.1 | 0 | 0 | 0 | 113.5 | ||
| 1180 | D | 87.6 | Confident | 92.9 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 43% | 0.433 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -1 | 166.7 | 70.7 | -45.3 | 0 | 0 | 0 | 113.4 | Y1126 F1178 T1182 | Y1126-D1180 WeakPolarHBondContact CE2-OD1 3.41Å; Y1126-D1180 PolarHBondContact OH-OD2 2.91Å; F1178-D1180 PolarHBondContact O-N 2.85Å; F1178-D1180 VanDerWaalsContact O-N 3.14Å; D1180-T1182 PolarHBondContact O-N 3.31Å |
| 1181 | S | 92.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -70.6 | 126.1 | 179.9 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | F1178 R1298 | F1178-S1181 WeakPolarHBondContact O-CB 3.11Å; F1178-S1181 PolarHBondContact O-N 3.32Å; F1178-S1181 PolarHBondContact O-OG 3.49Å; S1181-R1298 PolarHBondContact O-NE 3.18Å; S1181-R1298 PolarHBondContact O-NH2 2.93Å | ||
| 1182 | T | 92.1 | Very high | 92.8 | Very high | 48 Ų | 48 | 42.3 Ų | 42.3 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | trans | -86.5 | -176.7 | -178.4 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | T1123 D1180 E1187 R1298 | T1123-T1182 PolarHBondContact OG1-N 3.11Å; T1123-T1182 VanDerWaalsContact OG1-N 3.09Å; T1123-T1182 PolarHBondContact OG1-OG1 3.01Å; D1180-T1182 PolarHBondContact O-N 3.31Å; T1182-E1187 WeakPolarHBondContact CB-OE1 3.42Å; T1182-E1187 VanDerWaalsContact CG2-OE1 3.28Å; T1182-E1187 WeakPolarHBondContact CG2-OE1 3.29Å; T1182-E1187 PolarHBondContact OG1-OE1 2.89Å; T1182-R1298 PolarHBondContact O-NE 3.3Å | ||
| 1183 | D | 89.9 | Confident | 92.8 | Very high | 33 Ų | 33 | 46.4 Ų | 46.4 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | trans | -87.6 | 132.4 | 161.7 | 88.2 | 91.9 | 0 | 0 | 0 | 110.2 | H1185 S1186 R1295 | D1183-H1185 PolarHBondContact O-N 3.42Å; D1183-H1185 PolarHBondContact OD1-N 3.42Å; D1183-S1186 PolarHBondContact O-N 3.07Å; D1183-S1186 PolarHBondContact OD1-N 3.44Å; D1183-S1186 PolarHBondContact OD1-OG 3.44Å; D1183-S1186 WeakPolarHBondContact OD2-CB 3.16Å; D1183-S1186 PolarHBondContact OD2-OG 2.95Å; D1183-R1295 HydrophobicContact CB-CB 4.34Å; D1183-R1295 HydrophobicContact CB-CG 4.11Å | ||
| 1184 | L | 91.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.2 | -25.2 | -171.9 | -150.8 | 76.5 | 0 | 0 | 0 | 113 | T1123 L1124 I1127 L1188 F1290 A1291 Y1294 | T1123-L1184 HydrophobicContact CG2-CD1 3.82Å; L1124-L1184 HydrophobicContact CB-CD1 4.03Å; L1124-L1184 HydrophobicContact CD1-CD2 4.38Å; I1127-L1184 HydrophobicContact CD1-CD1 4.13Å; I1127-L1184 HydrophobicContact CD1-CD2 4.33Å; L1184-L1188 HydrophobicContact CD2-CD1 4.05Å; L1184-L1188 HydrophobicContact CG-CD1 3.85Å; L1184-L1188 HydrophobicContact CG-CG 4.37Å; L1184-L1188 WeakPolarHBondContact O-CB 3.26Å; L1184-L1188 WeakPolarHBondContact O-CG 3.28Å; L1184-L1188 PolarHBondContact O-N 3.42Å; L1184-L1188 VanDerWaalsContact O-N 3.13Å; L1184-F1290 HydrophobicContact CD2-CD1 3.86Å; L1184-F1290 HydrophobicContact CD2-CE1 3.77Å; L1184-A1291 HydrophobicContact CB-CB 3.99Å; L1184-A1291 HydrophobicContact CD2-CB 4.03Å; L1184-A1291 HydrophobicContact CG-CB 4.24Å; L1184-Y1294 HydrophobicContact CB-CD1 3.85Å; L1184-Y1294 HydrophobicContact CB-CE1 4.48Å |
| 1185 | H | 93.2 | Very high | 92.6 | Very high | 58 Ų | 58 | 47 Ų | 47 | 27% | 0.269 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -75.8 | -31.3 | -176 | -175.5 | -71.2 | 0 | 0 | 0 | 112.1 | D1183 A1291 R1295 | D1183-H1185 PolarHBondContact O-N 3.42Å; D1183-H1185 PolarHBondContact OD1-N 3.42Å; H1185-A1291 HydrophobicContact CB-CB 4.24Å; H1185-R1295 HydrophobicContact CB-CB 4.22Å |
| 1186 | S | 91.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 56.2 Ų | 56.2 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -79.5 | -32.8 | 174.5 | -54.3 | 0 | 0 | 0 | 0 | 112.9 | D1183 | D1183-S1186 PolarHBondContact O-N 3.07Å; D1183-S1186 PolarHBondContact OD1-N 3.44Å; D1183-S1186 PolarHBondContact OD1-OG 3.44Å; D1183-S1186 WeakPolarHBondContact OD2-CB 3.16Å; D1183-S1186 PolarHBondContact OD2-OG 2.95Å |
| 1187 | E | 91.1 | Very high | 92.6 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.4 | -37.6 | 174.2 | -83.9 | -167.9 | -163.5 | 0 | 0 | 113.2 | C1121 T1182 G1189 | C1121-E1187 PolarHBondContact SG-OE2 2.81Å; T1182-E1187 WeakPolarHBondContact CB-OE1 3.42Å; T1182-E1187 VanDerWaalsContact CG2-OE1 3.28Å; T1182-E1187 WeakPolarHBondContact CG2-OE1 3.29Å; T1182-E1187 PolarHBondContact OG1-OE1 2.89Å; E1187-G1189 VanDerWaalsContact C-N 3.27Å; E1187-G1189 PolarHBondContact O-N 3.45Å |
| 1188 | L | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 39.7 | -176.8 | -58.8 | -177.7 | 0 | 0 | 0 | 112.5 | E1117 L1118 C1121 L1184 A1190 L1191 C1192 | E1117-L1188 HydrophobicContact CB-CD2 4.15Å; E1117-L1188 WeakPolarHBondContact OE2-CA 3.47Å; L1118-L1188 HydrophobicContact CD1-CD2 4.39Å; C1121-L1188 HydrophobicContact CB-CD2 4.22Å; L1184-L1188 HydrophobicContact CD2-CD1 4.05Å; L1184-L1188 HydrophobicContact CG-CD1 3.85Å; L1184-L1188 HydrophobicContact CG-CG 4.37Å; L1184-L1188 WeakPolarHBondContact O-CB 3.26Å; L1184-L1188 WeakPolarHBondContact O-CG 3.28Å; L1184-L1188 PolarHBondContact O-N 3.42Å; L1184-L1188 VanDerWaalsContact O-N 3.13Å; L1188-A1190 PolarHBondContact O-N 3.27Å; L1188-L1191 HydrophobicContact CB-CB 4.15Å; L1188-L1191 WeakPolarHBondContact O-CB 3.49Å; L1188-L1191 PolarHBondContact O-N 3.1Å; L1188-C1192 PolarHBondContact O-N 2.77Å |
| 1189 | G | 93.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 51.2 Ų | 51.2 | 24% | 0.237 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -33.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1117 E1187 R1193 | E1117-G1189 PolarHBondContact OE2-N 3.11Å; E1187-G1189 VanDerWaalsContact C-N 3.27Å; E1187-G1189 PolarHBondContact O-N 3.45Å; G1189-R1193 VanDerWaalsContact C-NH1 3.29Å; G1189-R1193 PolarHBondContact O-NH1 2.85Å |
| 1190 | A | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -36.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1113 A1114 E1117 L1188 C1192 R1193 C1194 | Q1113-A1190 HydrophobicContact CB-CB 3.67Å; A1114-A1190 HydrophobicContact CB-CB 4.19Å; E1117-A1190 WeakPolarHBondContact OE1-CB 3.2Å; E1117-A1190 PolarHBondContact OE1-N 3.21Å; E1117-A1190 VanDerWaalsContact OE1-N 3.12Å; E1117-A1190 WeakPolarHBondContact OE2-CA 3.37Å; E1117-A1190 WeakPolarHBondContact OE2-CB 3.38Å; E1117-A1190 PolarHBondContact OE2-N 2.76Å; L1188-A1190 PolarHBondContact O-N 3.27Å; A1190-C1192 VanDerWaalsContact C-N 3.28Å; A1190-C1192 PolarHBondContact O-N 2.95Å; A1190-R1193 WeakPolarHBondContact O-CA 3.2Å; A1190-R1193 WeakPolarHBondContact O-CB 3.46Å; A1190-R1193 PolarHBondContact O-N 2.91Å; A1190-C1194 PolarHBondContact O-N 2.84Å; A1190-C1194 PolarHBondContact O-SG 2.86Å |
| 1191 | L | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 174.8 | -176.1 | 145.9 | 0 | 0 | 0 | 111.7 | A1114 E1117 L1118 L1188 R1193 C1194 H1195 C1284 L1287 A1288 | A1114-L1191 HydrophobicContact CB-CB 3.88Å; E1117-L1191 PolarHBondContact OE2-N 2.96Å; L1118-L1191 HydrophobicContact CD1-CD1 4.37Å; L1118-L1191 HydrophobicContact CD2-CD1 4.47Å; L1188-L1191 HydrophobicContact CB-CB 4.15Å; L1188-L1191 WeakPolarHBondContact O-CB 3.49Å; L1188-L1191 PolarHBondContact O-N 3.1Å; L1191-R1193 PolarHBondContact O-N 3.24Å; L1191-C1194 PolarHBondContact O-N 2.81Å; L1191-H1195 PolarHBondContact O-N 2.58Å; L1191-H1195 VanDerWaalsContact O-N 3.07Å; L1191-C1284 HydrophobicContact CD2-CB 4.48Å; L1191-C1284 WeakPolarHBondContact CD2-O 3.43Å; L1191-C1284 HydrophobicContact CG-CB 4.21Å; L1191-L1287 HydrophobicContact CD1-CB 3.98Å; L1191-L1287 HydrophobicContact CD1-CD1 3.85Å; L1191-L1287 HydrophobicContact CD2-CB 3.67Å; L1191-L1287 HydrophobicContact CG-CB 4.48Å; L1191-A1288 HydrophobicContact CD2-CB 4.06Å |
| 1192 | C | 94.2 | Very high | 93.3 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.108 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -21 | 172.9 | -71.7 | 0 | 0 | 0 | 0 | 114 | L1188 A1190 | L1188-C1192 PolarHBondContact O-N 2.77Å; A1190-C1192 VanDerWaalsContact C-N 3.28Å; A1190-C1192 PolarHBondContact O-N 2.95Å |
| 1193 | R | 94.9 | Very high | 93.5 | Very high | 112 Ų | 112 | 50.4 Ų | 50.4 | 42% | 0.423 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -83.8 | -44.5 | 169.7 | -62.5 | -170.9 | -59.2 | -85.6 | 8.8 | 111.2 | D1110 G1189 A1190 L1191 H1195 R1196 | D1110-R1193 IonicContact OD1-CZ 3.16Å; D1110-R1193 VanDerWaalsContact OD1-CZ 3.28Å; D1110-R1193 IonicContact OD1-NE 3.46Å; D1110-R1193 PolarHBondContact OD1-NE 2.7Å; D1110-R1193 IonicContact OD1-NH2 2.84Å; D1110-R1193 PolarHBondContact OD1-NH2 3.2Å; D1110-R1193 VanDerWaalsContact OD2-CB 3.22Å; D1110-R1193 WeakPolarHBondContact OD2-CB 3.43Å; D1110-R1193 WeakPolarHBondContact OD2-CD 3.27Å; D1110-R1193 IonicContact OD2-CZ 2.69Å; D1110-R1193 IonicContact OD2-NE 2.72Å; D1110-R1193 PolarHBondContact OD2-NE 2.72Å; D1110-R1193 IonicContact OD2-NH2 3.76Å; G1189-R1193 VanDerWaalsContact C-NH1 3.29Å; G1189-R1193 PolarHBondContact O-NH1 2.85Å; A1190-R1193 WeakPolarHBondContact O-CA 3.2Å; A1190-R1193 WeakPolarHBondContact O-CB 3.46Å; A1190-R1193 PolarHBondContact O-N 2.91Å; L1191-R1193 PolarHBondContact O-N 3.24Å; R1193-H1195 PolarHBondContact O-N 3.16Å; R1193-R1196 WeakPolarHBondContact O-CB 3.37Å; R1193-R1196 PolarHBondContact O-N 3.4Å |
| 1194 | C | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.5 | -34.9 | 176.5 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | D1110 L1111 A1190 L1191 R1196 V1197 W1199 C1284 | D1110-C1194 PolarHBondContact O-SG 3.32Å; D1110-C1194 VanDerWaalsContact O-SG 3.42Å; L1111-C1194 VanDerWaalsContact CA-SG 3.51Å; L1111-C1194 PolarHBondContact N-SG 3.08Å; L1111-C1194 VanDerWaalsContact N-SG 3.37Å; A1190-C1194 PolarHBondContact O-N 2.84Å; A1190-C1194 PolarHBondContact O-SG 2.86Å; L1191-C1194 PolarHBondContact O-N 2.81Å; C1194-R1196 PolarHBondContact O-N 3.27Å; C1194-V1197 PolarHBondContact O-N 3.24Å; C1194-W1199 HydrophobicContact CB-CZ2 4.19Å; C1194-W1199 PolarHBondContact O-NE1 2.88Å; C1194-C1284 HydrophobicContact CB-CB 4.14Å |
| 1195 | H | 91.5 | Very high | 94.1 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.2 | 173.8 | 167 | 23.6 | 0 | 0 | 0 | 112.7 | L1191 R1193 V1197 C1284 A1288 | L1191-H1195 PolarHBondContact O-N 2.58Å; L1191-H1195 VanDerWaalsContact O-N 3.07Å; R1193-H1195 PolarHBondContact O-N 3.16Å; H1195-V1197 VanDerWaalsContact C-N 3.31Å; H1195-V1197 PolarHBondContact O-N 2.94Å; H1195-C1284 HydrophobicContact CB-CB 4.25Å; H1195-A1288 HydrophobicContact CB-CB 4.18Å |
| 1196 | R | 92.1 | Very high | 94.3 | Very high | 218 Ų | 218 | 56.1 Ų | 56.1 | 82% | 0.823 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -1.6 | -174.1 | -57.5 | -177.3 | -178.2 | -160.7 | -2.2 | 114.2 | R1193 C1194 | R1193-R1196 WeakPolarHBondContact O-CB 3.37Å; R1193-R1196 PolarHBondContact O-N 3.4Å; C1194-R1196 PolarHBondContact O-N 3.27Å |
| 1197 | V | 94.6 | Very high | 94.6 | Very high | 37 Ų | 37 | 58.8 Ų | 58.8 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -92 | 135.8 | -178.2 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | P1107 C1194 H1195 W1199 | P1107-V1197 HydrophobicContact CB-CG1 3.99Å; P1107-V1197 HydrophobicContact CB-CG2 4.07Å; P1107-V1197 HydrophobicContact CG-CG1 4.25Å; P1107-V1197 HydrophobicContact CG-CG2 4.17Å; C1194-V1197 PolarHBondContact O-N 3.24Å; H1195-V1197 VanDerWaalsContact C-N 3.31Å; H1195-V1197 PolarHBondContact O-N 2.94Å; V1197-W1199 HydrophobicContact CB-CZ2 4.12Å; V1197-W1199 HydrophobicContact CG1-CD2 4.16Å; V1197-W1199 HydrophobicContact CG1-CG 4.42Å; V1197-W1199 HydrophobicContact CG1-CZ2 4.09Å; V1197-W1199 PolarHBondContact O-N 3.04Å |
| 1198 | D | 93.9 | Very high | 94.8 | Very high | 99 Ų | 99 | 62 Ų | 62 | 53% | 0.529 | 29% | 0.288 | S | S | . | . | trans | -77.2 | 99.4 | 165.5 | -172.9 | -26.8 | 0 | 0 | 0 | 109.6 | D1200 E1201 L1202 | D1198-D1200 VanDerWaalsContact C-N 3.31Å; D1198-D1200 PolarHBondContact OD1-N 2.85Å; D1198-E1201 HydrophobicContact CB-CB 4.12Å; D1198-E1201 PolarHBondContact OD1-N 2.91Å; D1198-L1202 PolarHBondContact O-N 2.87Å; D1198-L1202 VanDerWaalsContact O-N 3.17Å | ||
| 1199 | W | 94.5 | Very high | 95 | Very high | 25 Ų | 25 | 62.2 Ų | 62.2 | 10% | 0.095 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -16.5 | -179.5 | -69.2 | 93.4 | 0 | 0 | 0 | 113.7 | P1107 L1108 L1111 C1194 V1197 L1202 P1203 V1280 | P1107-W1199 HydrophobicContact CB-CH2 4.2Å; P1107-W1199 WeakPolarHBondContact O-CH2 3.28Å; L1108-W1199 HydrophobicContact CD2-CZ3 4.49Å; L1111-W1199 HydrophobicContact CB-CH2 3.67Å; L1111-W1199 HydrophobicContact CB-CZ2 4.22Å; L1111-W1199 HydrophobicContact CB-CZ3 4.5Å; L1111-W1199 HydrophobicContact CD2-CH2 3.69Å; L1111-W1199 HydrophobicContact CD2-CZ2 4.43Å; L1111-W1199 HydrophobicContact CD2-CZ3 3.73Å; L1111-W1199 HydrophobicContact CG-CH2 4.22Å; C1194-W1199 HydrophobicContact CB-CZ2 4.19Å; C1194-W1199 PolarHBondContact O-NE1 2.88Å; V1197-W1199 HydrophobicContact CB-CZ2 4.12Å; V1197-W1199 HydrophobicContact CG1-CD2 4.16Å; V1197-W1199 HydrophobicContact CG1-CG 4.42Å; V1197-W1199 HydrophobicContact CG1-CZ2 4.09Å; V1197-W1199 PolarHBondContact O-N 3.04Å; W1199-L1202 HydrophobicContact CE3-CD2 3.58Å; W1199-L1202 HydrophobicContact CH2-CD2 4.18Å; W1199-L1202 HydrophobicContact CZ3-CD2 3.34Å; W1199-P1203 WeakPolarHBondContact O-CD 3.45Å; W1199-V1280 HydrophobicContact CD2-CB 3.73Å; W1199-V1280 HydrophobicContact CD2-CG1 3.8Å; W1199-V1280 HydrophobicContact CD2-CG2 4.31Å; W1199-V1280 VanDerWaalsContact CE2-CG1 3.49Å; W1199-V1280 HydrophobicContact CE3-CB 4.22Å; W1199-V1280 HydrophobicContact CE3-CG1 4.33Å; W1199-V1280 HydrophobicContact CE3-CG2 4.31Å; W1199-V1280 HydrophobicContact CG-CB 3.83Å; W1199-V1280 HydrophobicContact CG-CG1 4.26Å; W1199-V1280 HydrophobicContact CH2-CG1 4.39Å; W1199-V1280 HydrophobicContact CZ2-CG1 3.83Å |
| 1200 | D | 92.5 | Very high | 95.1 | Very high | 117 Ų | 117 | 63 Ų | 63 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -24.7 | 176.9 | -63.8 | -35.2 | 0 | 0 | 0 | 110.9 | D1198 K1204 | D1198-D1200 VanDerWaalsContact C-N 3.31Å; D1198-D1200 PolarHBondContact OD1-N 2.85Å; D1200-K1204 WeakPolarHBondContact O-CE 3.48Å; D1200-K1204 PolarHBondContact O-NZ 2.97Å |
| 1201 | E | 94.4 | Very high | 95.2 | Very high | 68 Ų | 68 | 66.1 Ų | 66.1 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -28.7 | 173.8 | -169.6 | 58.2 | -157.6 | 0 | 0 | 113.8 | D1198 K1204 R1205 | D1198-E1201 HydrophobicContact CB-CB 4.12Å; D1198-E1201 PolarHBondContact OD1-N 2.91Å; E1201-K1204 PolarHBondContact O-N 3.33Å; E1201-K1204 VanDerWaalsContact O-N 3.09Å; E1201-K1204 WeakPolarHBondContact OE2-CD 3.44Å; E1201-K1204 IonicContact OE2-NZ 3.65Å; E1201-K1204 PolarHBondContact OE2-NZ 2.79Å; E1201-R1205 HydrophobicContact CG-CG 4.22Å; E1201-R1205 WeakPolarHBondContact O-CG 3.13Å; E1201-R1205 PolarHBondContact O-N 3Å |
| 1202 | L | 95.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -50.2 | -48 | 176.8 | -167.2 | 71.6 | 0 | 0 | 0 | 114.8 | I1104 P1107 L1108 D1198 W1199 K1204 R1205 L1206 Y1254 | I1104-L1202 HydrophobicContact CB-CD1 4.41Å; I1104-L1202 HydrophobicContact CG1-CD1 4.45Å; I1104-L1202 HydrophobicContact CG2-CD1 4.21Å; P1107-L1202 HydrophobicContact CB-CD1 4.18Å; P1107-L1202 HydrophobicContact CB-CD2 4.32Å; P1107-L1202 HydrophobicContact CG-CD1 4.22Å; L1108-L1202 HydrophobicContact CD2-CD2 4.34Å; L1108-L1202 HydrophobicContact CG-CD2 4.45Å; D1198-L1202 PolarHBondContact O-N 2.87Å; D1198-L1202 VanDerWaalsContact O-N 3.17Å; W1199-L1202 HydrophobicContact CE3-CD2 3.58Å; W1199-L1202 HydrophobicContact CH2-CD2 4.18Å; W1199-L1202 HydrophobicContact CZ3-CD2 3.34Å; L1202-K1204 PolarHBondContact O-N 2.98Å; L1202-R1205 PolarHBondContact O-N 2.89Å; L1202-L1206 PolarHBondContact O-N 2.71Å; L1202-Y1254 HydrophobicContact CD2-CD2 4.44Å; L1202-Y1254 HydrophobicContact CD2-CE2 4.32Å |
| 1203 | P | 95.9 | Very high | 95.3 | Very high | 42 Ų | 42 | 67.4 Ų | 67.4 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 176.8 | 24.2 | -33.4 | 0 | 0 | 0 | 113 | W1199 R1205 L1206 E1207 Y1254 | W1199-P1203 WeakPolarHBondContact O-CD 3.45Å; P1203-R1205 VanDerWaalsContact C-N 3.33Å; P1203-R1205 PolarHBondContact O-N 3.44Å; P1203-L1206 PolarHBondContact O-N 3.21Å; P1203-L1206 VanDerWaalsContact O-N 3.15Å; P1203-E1207 PolarHBondContact O-N 3.41Å; P1203-Y1254 HydrophobicContact CB-CE2 4.3Å |
| 1204 | K | 97.1 | Very high | 95.4 | Very high | 100 Ų | 100 | 63.8 Ų | 63.8 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 179.5 | -43.5 | -164.7 | -157 | 79.7 | 0 | 111.3 | D1200 E1201 L1202 L1206 E1207 K1208 | D1200-K1204 WeakPolarHBondContact O-CE 3.48Å; D1200-K1204 PolarHBondContact O-NZ 2.97Å; E1201-K1204 PolarHBondContact O-N 3.33Å; E1201-K1204 VanDerWaalsContact O-N 3.09Å; E1201-K1204 WeakPolarHBondContact OE2-CD 3.44Å; E1201-K1204 IonicContact OE2-NZ 3.65Å; E1201-K1204 PolarHBondContact OE2-NZ 2.79Å; L1202-K1204 PolarHBondContact O-N 2.98Å; K1204-L1206 VanDerWaalsContact C-N 3.32Å; K1204-L1206 PolarHBondContact O-N 3.34Å; K1204-E1207 PolarHBondContact O-N 3.26Å; K1204-K1208 WeakPolarHBondContact O-CB 3.36Å; K1204-K1208 PolarHBondContact O-N 3.42Å |
| 1205 | R | 96 | Very high | 95.3 | Very high | 103 Ų | 103 | 69 Ų | 69 | 39% | 0.389 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 172.1 | -70.7 | 160.9 | 165.1 | -104 | -0.4 | 111.9 | E1103 I1104 E1201 L1202 P1203 L1209 | E1103-R1205 IonicContact OE2-CZ 2.66Å; E1103-R1205 IonicContact OE2-NH1 2.68Å; E1103-R1205 PolarHBondContact OE2-NH1 2.79Å; E1103-R1205 IonicContact OE2-NH2 3.79Å; I1104-R1205 HydrophobicContact CD1-CB 4.21Å; I1104-R1205 HydrophobicContact CG1-CB 4.23Å; E1201-R1205 HydrophobicContact CG-CG 4.22Å; E1201-R1205 WeakPolarHBondContact O-CG 3.13Å; E1201-R1205 PolarHBondContact O-N 3Å; L1202-R1205 PolarHBondContact O-N 2.89Å; P1203-R1205 VanDerWaalsContact C-N 3.33Å; P1203-R1205 PolarHBondContact O-N 3.44Å; R1205-L1209 WeakPolarHBondContact O-CB 3.04Å; R1205-L1209 PolarHBondContact O-N 3.03Å |
| 1206 | L | 97.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73 | -41.5 | 178.6 | -176.7 | 54.6 | 0 | 0 | 0 | 112.9 | I1104 L1202 P1203 K1204 K1208 L1209 E1210 V1247 L1250 Q1251 Y1254 | I1104-L1206 HydrophobicContact CD1-CB 4.11Å; I1104-L1206 HydrophobicContact CD1-CD1 4.23Å; I1104-L1206 HydrophobicContact CG2-CB 4.49Å; I1104-L1206 HydrophobicContact CG2-CD1 4.46Å; L1202-L1206 PolarHBondContact O-N 2.71Å; P1203-L1206 PolarHBondContact O-N 3.21Å; P1203-L1206 VanDerWaalsContact O-N 3.15Å; K1204-L1206 VanDerWaalsContact C-N 3.32Å; K1204-L1206 PolarHBondContact O-N 3.34Å; L1206-K1208 VanDerWaalsContact C-N 3.35Å; L1206-L1209 PolarHBondContact O-N 2.72Å; L1206-E1210 PolarHBondContact O-N 3.25Å; L1206-V1247 HydrophobicContact CD1-CG1 4.27Å; L1206-L1250 HydrophobicContact CD1-CB 3.75Å; L1206-L1250 HydrophobicContact CD1-CD1 4.43Å; L1206-Q1251 HydrophobicContact CD1-CG 4.11Å; L1206-Q1251 HydrophobicContact CD2-CG 4.03Å; L1206-Q1251 HydrophobicContact CG-CG 4.02Å; L1206-Y1254 HydrophobicContact CD2-CD2 4.5Å; L1206-Y1254 HydrophobicContact CD2-CG 4.15Å |
| 1207 | E | 97.4 | Very high | 95.5 | Very high | 130 Ų | 130 | 56.3 Ų | 56.3 | 61% | 0.607 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 171.8 | -178.5 | -178.3 | -168.2 | 0 | 0 | 111.7 | P1203 K1204 E1210 T1211 | P1203-E1207 PolarHBondContact O-N 3.41Å; K1204-E1207 PolarHBondContact O-N 3.26Å; E1207-E1210 PolarHBondContact O-N 3.09Å; E1207-T1211 WeakPolarHBondContact O-CB 3.26Å; E1207-T1211 PolarHBondContact O-N 3.49Å; E1207-T1211 PolarHBondContact O-OG1 2.76Å |
| 1208 | K | 96.4 | Very high | 95.4 | Very high | 131 Ų | 131 | 59.5 Ų | 59.5 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 172.5 | -174.3 | -174.3 | 174.9 | -167.4 | 0 | 111.4 | K1204 L1206 E1210 T1211 D1212 | K1204-K1208 WeakPolarHBondContact O-CB 3.36Å; K1204-K1208 PolarHBondContact O-N 3.42Å; L1206-K1208 VanDerWaalsContact C-N 3.35Å; K1208-E1210 PolarHBondContact O-N 3.29Å; K1208-T1211 PolarHBondContact O-N 3.04Å; K1208-T1211 VanDerWaalsContact O-N 3.14Å; K1208-D1212 WeakPolarHBondContact CE-OD2 3.27Å; K1208-D1212 WeakPolarHBondContact CG-OD2 3.37Å; K1208-D1212 WeakPolarHBondContact O-CB 3.28Å; K1208-D1212 PolarHBondContact O-N 3.44Å |
| 1209 | L | 96.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.2 | -34.1 | -179.2 | -169.3 | 61.5 | 0 | 0 | 0 | 112.6 | F1093 Y1097 N1100 I1104 R1205 L1206 S1213 V1247 L1250 | F1093-L1209 HydrophobicContact CE2-CD1 4.21Å; Y1097-L1209 HydrophobicContact CD2-CD1 3.96Å; Y1097-L1209 HydrophobicContact CE2-CD1 4.11Å; Y1097-L1209 HydrophobicContact CE2-CD2 4.41Å; Y1097-L1209 HydrophobicContact CE2-CG 4.4Å; N1100-L1209 HydrophobicContact CB-CD1 3.85Å; N1100-L1209 HydrophobicContact CB-CD2 4.35Å; I1104-L1209 HydrophobicContact CD1-CB 4.38Å; I1104-L1209 HydrophobicContact CD1-CD2 3.86Å; R1205-L1209 WeakPolarHBondContact O-CB 3.04Å; R1205-L1209 PolarHBondContact O-N 3.03Å; L1206-L1209 PolarHBondContact O-N 2.72Å; L1209-S1213 WeakPolarHBondContact O-CB 3.47Å; L1209-S1213 PolarHBondContact O-N 2.88Å; L1209-V1247 HydrophobicContact CD2-CG2 3.95Å; L1209-V1247 HydrophobicContact CG-CG2 3.78Å; L1209-L1250 HydrophobicContact CD2-CD1 4.43Å |
| 1210 | E | 96.5 | Very high | 95.2 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -52.6 | 165.6 | 168.1 | 173.9 | -173.7 | 0 | 0 | 110.8 | W783 L1206 E1207 K1208 D1212 S1213 K1214 V1247 Q1251 | W783-E1210 HydrophobicContact CH2-CB 4.13Å; W783-E1210 HydrophobicContact CH2-CG 3.71Å; W783-E1210 HydrophobicContact CZ2-CB 4.36Å; W783-E1210 HydrophobicContact CZ2-CG 3.67Å; L1206-E1210 PolarHBondContact O-N 3.25Å; E1207-E1210 PolarHBondContact O-N 3.09Å; K1208-E1210 PolarHBondContact O-N 3.29Å; E1210-D1212 PolarHBondContact O-N 3.44Å; E1210-S1213 PolarHBondContact O-N 3.28Å; E1210-S1213 VanDerWaalsContact O-N 3.14Å; E1210-K1214 HydrophobicContact CG-CD 4.01Å; E1210-K1214 HydrophobicContact CG-CG 4.4Å; E1210-K1214 PolarHBondContact O-N 3.25Å; E1210-K1214 WeakPolarHBondContact OE1-CE 3.39Å; E1210-K1214 IonicContact OE1-NZ 3.58Å; E1210-K1214 PolarHBondContact OE1-NZ 3.28Å; E1210-V1247 HydrophobicContact CB-CG1 4.14Å; E1210-Q1251 PolarHBondContact OE2-NE2 3.2Å |
| 1211 | T | 96.8 | Very high | 95 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.7 | -46.9 | -174.8 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | E1207 K1208 S1213 K1214 R1215 | E1207-T1211 WeakPolarHBondContact O-CB 3.26Å; E1207-T1211 PolarHBondContact O-N 3.49Å; E1207-T1211 PolarHBondContact O-OG1 2.76Å; K1208-T1211 PolarHBondContact O-N 3.04Å; K1208-T1211 VanDerWaalsContact O-N 3.14Å; T1211-S1213 VanDerWaalsContact C-N 3.35Å; T1211-K1214 PolarHBondContact O-N 2.87Å; T1211-R1215 WeakPolarHBondContact O-CB 3.33Å; T1211-R1215 PolarHBondContact O-N 3.44Å |
| 1212 | D | 95.8 | Very high | 94.7 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70 | -31.3 | 178.1 | -71.5 | -24.3 | 0 | 0 | 0 | 111.6 | F1093 K1208 E1210 R1215 A1216 | F1093-D1212 HydrophobicContact CD2-CB 3.92Å; F1093-D1212 HydrophobicContact CE2-CB 4.17Å; K1208-D1212 WeakPolarHBondContact CE-OD2 3.27Å; K1208-D1212 WeakPolarHBondContact CG-OD2 3.37Å; K1208-D1212 WeakPolarHBondContact O-CB 3.28Å; K1208-D1212 PolarHBondContact O-N 3.44Å; E1210-D1212 PolarHBondContact O-N 3.44Å; D1212-R1215 IonicContact OD1-NH1 3.41Å; D1212-A1216 VanDerWaalsContact O-CB 3.22Å; D1212-A1216 WeakPolarHBondContact O-CB 3.49Å; D1212-A1216 PolarHBondContact O-N 3.2Å |
| 1213 | S | 96 | Very high | 94.3 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.6 | -42.8 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 112.6 | L1209 E1210 T1211 A1216 W1217 M1244 | L1209-S1213 WeakPolarHBondContact O-CB 3.47Å; L1209-S1213 PolarHBondContact O-N 2.88Å; E1210-S1213 PolarHBondContact O-N 3.28Å; E1210-S1213 VanDerWaalsContact O-N 3.14Å; T1211-S1213 VanDerWaalsContact C-N 3.35Å; S1213-A1216 PolarHBondContact O-N 3.46Å; S1213-W1217 PolarHBondContact O-N 3.05Å; S1213-W1217 VanDerWaalsContact O-N 3.1Å; S1213-M1244 VanDerWaalsContact OG-CG 3.31Å; S1213-M1244 WeakPolarHBondContact OG-CG 3.5Å |
| 1214 | K | 95.5 | Very high | 93.7 | Very high | 37 Ų | 37 | 53 Ų | 53 | 16% | 0.161 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 172.6 | -75.5 | -177.4 | 171.6 | -178.6 | 0 | 111.1 | V779 E780 W783 E1210 T1211 A1216 W1217 E1218 M1244 | V779-K1214 HydrophobicContact CG1-CB 4.4Å; V779-K1214 HydrophobicContact CG1-CG 4.48Å; E780-K1214 IonicContact OE2-NZ 3.94Å; E780-K1214 PolarHBondContact OE2-NZ 2.95Å; W783-K1214 HydrophobicContact CD2-CD 4.47Å; W783-K1214 HydrophobicContact CD2-CG 4.49Å; W783-K1214 VanDerWaalsContact CE2-CE 3.4Å; W783-K1214 HydrophobicContact CE3-CG 4.1Å; W783-K1214 HydrophobicContact CZ3-CG 4.31Å; E1210-K1214 HydrophobicContact CG-CD 4.01Å; E1210-K1214 HydrophobicContact CG-CG 4.4Å; E1210-K1214 PolarHBondContact O-N 3.25Å; E1210-K1214 WeakPolarHBondContact OE1-CE 3.39Å; E1210-K1214 IonicContact OE1-NZ 3.58Å; E1210-K1214 PolarHBondContact OE1-NZ 3.28Å; T1211-K1214 PolarHBondContact O-N 2.87Å; K1214-A1216 PolarHBondContact O-N 3.23Å; K1214-W1217 WeakPolarHBondContact O-CB 3.43Å; K1214-W1217 PolarHBondContact O-N 3.06Å; K1214-W1217 VanDerWaalsContact O-N 3.17Å; K1214-E1218 PolarHBondContact O-N 3.01Å; K1214-M1244 HydrophobicContact CB-CE 4.46Å; K1214-M1244 HydrophobicContact CG-CE 4.07Å |
| 1215 | R | 95.1 | Very high | 92.7 | Very high | 110 Ų | 110 | 53.1 Ų | 53.1 | 42% | 0.415 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 174.6 | 176.1 | 175.9 | -71.5 | 138.8 | -3.4 | 112.8 | T1211 D1212 W1217 E1218 H1219 | T1211-R1215 WeakPolarHBondContact O-CB 3.33Å; T1211-R1215 PolarHBondContact O-N 3.44Å; D1212-R1215 IonicContact OD1-NH1 3.41Å; R1215-W1217 VanDerWaalsContact C-N 3.31Å; R1215-W1217 PolarHBondContact O-N 2.9Å; R1215-E1218 WeakPolarHBondContact O-CB 3.35Å; R1215-E1218 PolarHBondContact O-N 3.11Å; R1215-H1219 WeakPolarHBondContact CG-NE2 3.28Å; R1215-H1219 VanDerWaalsContact O-CG 3.27Å; R1215-H1219 PolarHBondContact O-N 2.74Å |
| 1216 | A | 95.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1090 F1093 D1212 S1213 K1214 Y1220 L1240 | L1090-A1216 HydrophobicContact CD1-CB 3.95Å; F1093-A1216 HydrophobicContact CB-CB 4.22Å; F1093-A1216 HydrophobicContact CD1-CB 3.45Å; F1093-A1216 VanDerWaalsContact CD1-CB 3.45Å; F1093-A1216 HydrophobicContact CD2-CB 4.3Å; F1093-A1216 HydrophobicContact CE1-CB 3.83Å; F1093-A1216 HydrophobicContact CG-CB 3.72Å; F1093-A1216 HydrophobicContact CZ-CB 4.38Å; D1212-A1216 VanDerWaalsContact O-CB 3.22Å; D1212-A1216 WeakPolarHBondContact O-CB 3.49Å; D1212-A1216 PolarHBondContact O-N 3.2Å; S1213-A1216 PolarHBondContact O-N 3.46Å; K1214-A1216 PolarHBondContact O-N 3.23Å; A1216-Y1220 WeakPolarHBondContact O-CB 3.28Å; A1216-Y1220 PolarHBondContact O-N 2.91Å; A1216-L1240 HydrophobicContact CB-CD2 3.86Å |
| 1217 | W | 92.8 | Very high | 89.2 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 172 | -168.2 | -100.7 | 0 | 0 | 0 | 111.9 | V779 F782 S1213 K1214 R1215 H1219 Y1220 R1221 L1240 M1244 | V779-W1217 HydrophobicContact CG1-CB 4.34Å; V779-W1217 HydrophobicContact CG1-CG 4.43Å; F782-W1217 AromaticContact CD1-CD2 3.98Å; F782-W1217 HydrophobicContact CD1-CD2 3.98Å; F782-W1217 AromaticContact CD1-CE2 3.55Å; F782-W1217 HydrophobicContact CD1-CE3 4.47Å; F782-W1217 HydrophobicContact CD1-CG 4.45Å; F782-W1217 HydrophobicContact CD1-CH2 4.28Å; F782-W1217 AromaticContact CD1-CZ2 3.74Å; F782-W1217 HydrophobicContact CD1-CZ2 3.74Å; F782-W1217 AromaticContact CD1-NE1 3.72Å; F782-W1217 AromaticContact CD2-CZ2 3.84Å; F782-W1217 HydrophobicContact CD2-CZ2 3.84Å; F782-W1217 AromaticContact CE1-CD2 3.89Å; F782-W1217 HydrophobicContact CE1-CD2 3.89Å; F782-W1217 AromaticContact CE1-CE2 3.62Å; F782-W1217 AromaticContact CE1-CE3 3.93Å; F782-W1217 HydrophobicContact CE1-CE3 3.93Å; F782-W1217 AromaticContact CE1-CH2 3.54Å; F782-W1217 HydrophobicContact CE1-CH2 3.54Å; F782-W1217 AromaticContact CE1-CZ2 3.47Å; F782-W1217 HydrophobicContact CE1-CZ2 3.47Å; F782-W1217 VanDerWaalsContact CE1-CZ2 3.47Å; F782-W1217 AromaticContact CE1-CZ3 3.76Å; F782-W1217 HydrophobicContact CE1-CZ3 3.76Å; F782-W1217 AromaticContact CE2-CH2 3.82Å; F782-W1217 HydrophobicContact CE2-CH2 3.82Å; F782-W1217 AromaticContact CE2-CZ2 3.58Å; F782-W1217 HydrophobicContact CE2-CZ2 3.58Å; F782-W1217 AromaticContact CG-CE2 3.91Å; F782-W1217 AromaticContact CG-CZ2 3.91Å; F782-W1217 HydrophobicContact CG-CZ2 3.91Å; F782-W1217 AromaticContact CG-NE1 3.85Å; F782-W1217 HydrophobicContact CZ-CE3 4.47Å; F782-W1217 AromaticContact CZ-CH2 3.27Å; F782-W1217 HydrophobicContact CZ-CH2 3.27Å; F782-W1217 AromaticContact CZ-CZ2 3.38Å; F782-W1217 HydrophobicContact CZ-CZ2 3.38Å; F782-W1217 AromaticContact CZ-CZ3 3.86Å; F782-W1217 HydrophobicContact CZ-CZ3 3.86Å; S1213-W1217 PolarHBondContact O-N 3.05Å; S1213-W1217 VanDerWaalsContact O-N 3.1Å; K1214-W1217 WeakPolarHBondContact O-CB 3.43Å; K1214-W1217 PolarHBondContact O-N 3.06Å; K1214-W1217 VanDerWaalsContact O-N 3.17Å; R1215-W1217 VanDerWaalsContact C-N 3.31Å; R1215-W1217 PolarHBondContact O-N 2.9Å; W1217-H1219 VanDerWaalsContact C-N 3.35Å; W1217-H1219 PolarHBondContact O-N 2.95Å; W1217-Y1220 PolarHBondContact O-N 3.31Å; W1217-R1221 WeakPolarHBondContact O-CG 3.46Å; W1217-R1221 PolarHBondContact O-N 2.97Å; W1217-L1240 HydrophobicContact CE3-CB 3.6Å; W1217-L1240 HydrophobicContact CE3-CD1 4.2Å; W1217-L1240 HydrophobicContact CZ3-CB 3.83Å; W1217-M1244 HydrophobicContact CB-CE 3.55Å; W1217-M1244 HydrophobicContact CB-SD 4.4Å; W1217-M1244 HydrophobicContact CD2-SD 4.46Å; W1217-M1244 HydrophobicContact CG-CE 4.03Å; W1217-M1244 HydrophobicContact CG-SD 4.39Å |
| 1218 | E | 92.7 | Very high | 87.2 | Confident | 104 Ų | 104 | 60.7 Ų | 60.7 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55 | -48.3 | 173.3 | -67.1 | 175.4 | 166 | 0 | 0 | 112 | V779 K1214 R1215 R1221 L1222 | V779-E1218 HydrophobicContact CB-CG 4.43Å; V779-E1218 HydrophobicContact CG2-CG 3.6Å; K1214-E1218 PolarHBondContact O-N 3.01Å; R1215-E1218 WeakPolarHBondContact O-CB 3.35Å; R1215-E1218 PolarHBondContact O-N 3.11Å; E1218-R1221 PolarHBondContact O-N 3.18Å; E1218-L1222 WeakPolarHBondContact O-CB 3.15Å; E1218-L1222 PolarHBondContact O-N 3.31Å |
| 1219 | H | 92.1 | Very high | 85.2 | Confident | 20 Ų | 20 | 58 Ų | 58 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 177.1 | -67.2 | -16.3 | 0 | 0 | 0 | 112.4 | P1086 E1089 L1090 R1215 W1217 R1221 L1222 I1223 | P1086-H1219 HydrophobicContact CB-CB 3.93Å; E1089-H1219 IonicContact OE2-CE1 3.57Å; E1089-H1219 IonicContact OE2-NE2 3.44Å; E1089-H1219 PolarHBondContact OE2-NE2 3.46Å; L1090-H1219 HydrophobicContact CB-CB 4.1Å; R1215-H1219 WeakPolarHBondContact CG-NE2 3.28Å; R1215-H1219 VanDerWaalsContact O-CG 3.27Å; R1215-H1219 PolarHBondContact O-N 2.74Å; W1217-H1219 VanDerWaalsContact C-N 3.35Å; W1217-H1219 PolarHBondContact O-N 2.95Å; H1219-R1221 VanDerWaalsContact C-N 3.29Å; H1219-R1221 PolarHBondContact O-N 3.02Å; H1219-L1222 PolarHBondContact O-N 3.2Å; H1219-I1223 HydrophobicContact CB-CD1 4.45Å; H1219-I1223 WeakPolarHBondContact O-CD1 3.48Å; H1219-I1223 WeakPolarHBondContact O-CG1 3.37Å; H1219-I1223 PolarHBondContact O-N 3.29Å |
| 1220 | Y | 91.2 | Very high | 83.2 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 9% | 0.09 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.5 | -46.1 | 175.9 | 171.8 | -92.5 | 0 | 0 | 0 | 111.2 | A1216 W1217 I1223 F1224 N1233 L1236 L1240 | A1216-Y1220 WeakPolarHBondContact O-CB 3.28Å; A1216-Y1220 PolarHBondContact O-N 2.91Å; W1217-Y1220 PolarHBondContact O-N 3.31Å; Y1220-I1223 PolarHBondContact O-N 3.33Å; Y1220-F1224 AromaticContact CD2-CD2 3.43Å; Y1220-F1224 HydrophobicContact CD2-CD2 3.43Å; Y1220-F1224 VanDerWaalsContact CD2-CD2 3.43Å; Y1220-F1224 AromaticContact CD2-CE2 3.91Å; Y1220-F1224 HydrophobicContact CD2-CE2 3.91Å; Y1220-F1224 HydrophobicContact CD2-CG 4.48Å; Y1220-F1224 HydrophobicContact CE2-CB 4.41Å; Y1220-F1224 AromaticContact CE2-CD2 3.46Å; Y1220-F1224 HydrophobicContact CE2-CD2 3.46Å; Y1220-F1224 VanDerWaalsContact CE2-CD2 3.46Å; Y1220-F1224 HydrophobicContact CE2-CE2 4.08Å; Y1220-F1224 HydrophobicContact CE2-CG 4.18Å; Y1220-F1224 HydrophobicContact CG-CD2 4.13Å; Y1220-F1224 WeakPolarHBondContact O-CB 3.18Å; Y1220-F1224 VanDerWaalsContact O-CD2 3.26Å; Y1220-F1224 WeakPolarHBondContact O-CD2 3.31Å; Y1220-F1224 PolarHBondContact O-N 2.91Å; Y1220-N1233 HydrophobicContact CE2-CB 4.36Å; Y1220-L1236 HydrophobicContact CD2-CB 4.36Å; Y1220-L1236 HydrophobicContact CD2-CD2 3.96Å; Y1220-L1236 HydrophobicContact CD2-CG 3.94Å; Y1220-L1236 HydrophobicContact CE2-CB 4.14Å; Y1220-L1236 HydrophobicContact CE2-CD2 4.32Å; Y1220-L1236 HydrophobicContact CE2-CG 4.23Å; Y1220-L1240 VanDerWaalsContact CB-CD1 3.47Å; Y1220-L1240 HydrophobicContact CD2-CD1 4Å; Y1220-L1240 HydrophobicContact CG-CD1 3.76Å |
| 1221 | R | 88.1 | Confident | 81.2 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 25% | 0.253 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 178.9 | -61.7 | -173.3 | 91.7 | 153.2 | 19.4 | 112.2 | E776 T777 W1217 E1218 H1219 I1223 F1224 S1225 | E776-R1221 PolarHBondContact O-NH1 3.49Å; E776-R1221 PolarHBondContact O-NH2 3.48Å; T777-R1221 VanDerWaalsContact C-NH1 3.3Å; T777-R1221 PolarHBondContact O-NH1 3.08Å; W1217-R1221 WeakPolarHBondContact O-CG 3.46Å; W1217-R1221 PolarHBondContact O-N 2.97Å; E1218-R1221 PolarHBondContact O-N 3.18Å; H1219-R1221 VanDerWaalsContact C-N 3.29Å; H1219-R1221 PolarHBondContact O-N 3.02Å; R1221-I1223 VanDerWaalsContact C-N 3.29Å; R1221-I1223 PolarHBondContact O-N 3.14Å; R1221-F1224 PolarHBondContact O-N 3.19Å; R1221-S1225 WeakPolarHBondContact O-CB 3.38Å; R1221-S1225 PolarHBondContact O-N 2.82Å; R1221-S1225 PolarHBondContact O-OG 3.42Å |
| 1222 | L | 88.5 | Confident | 79.5 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 46% | 0.461 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 177.9 | -177.2 | 61.8 | 0 | 0 | 0 | 111.9 | P1086 E1218 H1219 | P1086-L1222 HydrophobicContact CB-CD2 4.42Å; P1086-L1222 HydrophobicContact CG-CD2 3.86Å; E1218-L1222 WeakPolarHBondContact O-CB 3.15Å; E1218-L1222 PolarHBondContact O-N 3.31Å; H1219-L1222 PolarHBondContact O-N 3.2Å |
| 1223 | I | 86.3 | Confident | 78.5 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.051 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.8 | -36.8 | -179.8 | -58.6 | 155.5 | 0 | 0 | 0 | 112 | H1083 P1086 R1087 L1090 H1219 Y1220 R1221 | H1083-I1223 HydrophobicContact CB-CG1 3.91Å; P1086-I1223 HydrophobicContact CB-CD1 4.14Å; P1086-I1223 HydrophobicContact CB-CG1 4.2Å; R1087-I1223 HydrophobicContact CB-CD1 3.86Å; R1087-I1223 HydrophobicContact CB-CG1 4.42Å; R1087-I1223 HydrophobicContact CG-CD1 4.48Å; L1090-I1223 HydrophobicContact CD2-CD1 3.82Å; H1219-I1223 HydrophobicContact CB-CD1 4.45Å; H1219-I1223 WeakPolarHBondContact O-CD1 3.48Å; H1219-I1223 WeakPolarHBondContact O-CG1 3.37Å; H1219-I1223 PolarHBondContact O-N 3.29Å; Y1220-I1223 PolarHBondContact O-N 3.33Å; R1221-I1223 VanDerWaalsContact C-N 3.29Å; R1221-I1223 PolarHBondContact O-N 3.14Å |
| 1224 | F | 84 | Confident | 77.8 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -114.3 | 25.1 | -169.4 | -58.1 | -65 | 0 | 0 | 0 | 114.4 | Y1220 R1221 S1226 E1229 N1233 L1236 | Y1220-F1224 AromaticContact CD2-CD2 3.43Å; Y1220-F1224 HydrophobicContact CD2-CD2 3.43Å; Y1220-F1224 VanDerWaalsContact CD2-CD2 3.43Å; Y1220-F1224 AromaticContact CD2-CE2 3.91Å; Y1220-F1224 HydrophobicContact CD2-CE2 3.91Å; Y1220-F1224 HydrophobicContact CD2-CG 4.48Å; Y1220-F1224 HydrophobicContact CE2-CB 4.41Å; Y1220-F1224 AromaticContact CE2-CD2 3.46Å; Y1220-F1224 HydrophobicContact CE2-CD2 3.46Å; Y1220-F1224 VanDerWaalsContact CE2-CD2 3.46Å; Y1220-F1224 HydrophobicContact CE2-CE2 4.08Å; Y1220-F1224 HydrophobicContact CE2-CG 4.18Å; Y1220-F1224 HydrophobicContact CG-CD2 4.13Å; Y1220-F1224 WeakPolarHBondContact O-CB 3.18Å; Y1220-F1224 VanDerWaalsContact O-CD2 3.26Å; Y1220-F1224 WeakPolarHBondContact O-CD2 3.31Å; Y1220-F1224 PolarHBondContact O-N 2.91Å; R1221-F1224 PolarHBondContact O-N 3.19Å; F1224-S1226 PolarHBondContact O-N 3.1Å; F1224-S1226 VanDerWaalsContact O-N 3.11Å; F1224-E1229 HydrophobicContact CD1-CB 4.5Å; F1224-E1229 HydrophobicContact CD1-CG 4.07Å; F1224-E1229 HydrophobicContact CE1-CG 4.37Å; F1224-N1233 HydrophobicContact CE1-CB 4.41Å; F1224-N1233 WeakPolarHBondContact CE1-ND2 3.47Å; F1224-N1233 HydrophobicContact CE2-CB 4.45Å; F1224-N1233 HydrophobicContact CZ-CB 4.31Å; F1224-N1233 VanDerWaalsContact CZ-ND2 3.33Å; F1224-N1233 WeakPolarHBondContact CZ-ND2 3.4Å; F1224-L1236 HydrophobicContact CE2-CD2 4Å |
| 1225 | S | 76 | Confident | 77.3 | Confident | 103 Ų | 103 | 77.7 Ų | 77.7 | 72% | 0.72 | 38% | 0.377 | S | S | * | . | trans | -62.6 | -12.1 | 175.2 | -76.2 | 0 | 0 | 0 | 0 | 114.4 | R1221 | R1221-S1225 WeakPolarHBondContact O-CB 3.38Å; R1221-S1225 PolarHBondContact O-N 2.82Å; R1221-S1225 PolarHBondContact O-OG 3.42Å | ||
| 1226 | S | 67.4 | Low | 77 | Confident | 55 Ų | 55 | 72.7 Ų | 72.7 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -90.3 | 128.3 | 175.8 | 97.7 | 0 | 0 | 0 | 0 | 112.1 | F1224 K1228 E1229 S1230 | F1224-S1226 PolarHBondContact O-N 3.1Å; F1224-S1226 VanDerWaalsContact O-N 3.11Å; S1226-K1228 PolarHBondContact O-N 2.96Å; S1226-K1228 VanDerWaalsContact O-N 3.12Å; S1226-E1229 PolarHBondContact O-N 3.16Å; S1226-E1229 WeakPolarHBondContact OG-CB 3.45Å; S1226-S1230 PolarHBondContact O-N 3.22Å; S1226-S1230 VanDerWaalsContact O-N 3.1Å |
| 1227 | E | 52.6 | Low | 76.8 | Confident | 164 Ų | 164 | 73.8 Ų | 73.8 | 77% | 0.766 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61 | -23.9 | -173.9 | -167.6 | 180 | -128.5 | 0 | 0 | 113.9 | E1229 S1230 N1231 | E1227-E1229 VanDerWaalsContact C-N 3.28Å; E1227-E1229 PolarHBondContact O-N 3.02Å; E1227-S1230 PolarHBondContact O-OG 3.48Å; E1227-N1231 PolarHBondContact O-ND2 2.9Å |
| 1228 | K | 55.9 | Low | 76.7 | Confident | 182 Ų | 182 | 78.4 Ų | 78.4 | 79% | 0.791 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -80.9 | -5.7 | 176.1 | -68.6 | 179.5 | 178.7 | 173.9 | 0 | 113.7 | S1226 K1232 | S1226-K1228 PolarHBondContact O-N 2.96Å; S1226-K1228 VanDerWaalsContact O-N 3.12Å; K1228-K1232 WeakPolarHBondContact O-CE 3.09Å |
| 1229 | E | 54.6 | Low | 76.8 | Confident | 74 Ų | 74 | 75.2 Ų | 75.2 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -124.2 | -31.8 | -170.9 | -151.5 | 151.7 | -146.9 | 0 | 0 | 113 | F1224 S1226 E1227 N1231 K1232 | F1224-E1229 HydrophobicContact CD1-CB 4.5Å; F1224-E1229 HydrophobicContact CD1-CG 4.07Å; F1224-E1229 HydrophobicContact CE1-CG 4.37Å; S1226-E1229 PolarHBondContact O-N 3.16Å; S1226-E1229 WeakPolarHBondContact OG-CB 3.45Å; E1227-E1229 VanDerWaalsContact C-N 3.28Å; E1227-E1229 PolarHBondContact O-N 3.02Å; E1229-N1231 VanDerWaalsContact C-N 3.31Å; E1229-N1231 PolarHBondContact O-N 3.39Å; E1229-K1232 WeakPolarHBondContact O-CB 3.4Å; E1229-K1232 PolarHBondContact O-N 3.13Å; E1229-K1232 VanDerWaalsContact O-N 3.1Å |
| 1230 | S | 55.2 | Low | 76.9 | Confident | 36 Ų | 36 | 74.2 Ų | 74.2 | 25% | 0.252 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -53.8 | -45.6 | 167.1 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | S1226 E1227 K1232 N1233 I1234 | S1226-S1230 PolarHBondContact O-N 3.22Å; S1226-S1230 VanDerWaalsContact O-N 3.1Å; E1227-S1230 PolarHBondContact O-OG 3.48Å; S1230-K1232 PolarHBondContact O-N 2.78Å; S1230-N1233 PolarHBondContact O-N 3.43Å; S1230-I1234 PolarHBondContact O-N 3Å |
| 1231 | N | 54.1 | Low | 77 | Confident | 110 Ų | 110 | 74.5 Ų | 74.5 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -17.9 | 177.3 | -82.3 | -62.9 | 0 | 0 | 0 | 114.6 | E1227 E1229 | E1227-N1231 PolarHBondContact O-ND2 2.9Å; E1229-N1231 VanDerWaalsContact C-N 3.31Å; E1229-N1231 PolarHBondContact O-N 3.39Å |
| 1232 | K | 60.2 | Low | 77.3 | Confident | 155 Ų | 155 | 74.8 Ų | 74.8 | 67% | 0.674 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -17 | 176.9 | -61.5 | 176.5 | -172.8 | 166.6 | 0 | 113.3 | K1228 E1229 S1230 | K1228-K1232 WeakPolarHBondContact O-CE 3.09Å; E1229-K1232 WeakPolarHBondContact O-CB 3.4Å; E1229-K1232 PolarHBondContact O-N 3.13Å; E1229-K1232 VanDerWaalsContact O-N 3.1Å; S1230-K1232 PolarHBondContact O-N 2.78Å |
| 1233 | N | 75.5 | Confident | 77.6 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | trans | -124.6 | 29.1 | -173.2 | -77.3 | -62.3 | 0 | 0 | 0 | 113.6 | Y1220 F1224 S1230 K1235 L1236 S1237 | Y1220-N1233 HydrophobicContact CE2-CB 4.36Å; F1224-N1233 HydrophobicContact CE1-CB 4.41Å; F1224-N1233 WeakPolarHBondContact CE1-ND2 3.47Å; F1224-N1233 HydrophobicContact CE2-CB 4.45Å; F1224-N1233 HydrophobicContact CZ-CB 4.31Å; F1224-N1233 VanDerWaalsContact CZ-ND2 3.33Å; F1224-N1233 WeakPolarHBondContact CZ-ND2 3.4Å; S1230-N1233 PolarHBondContact O-N 3.43Å; N1233-K1235 PolarHBondContact O-N 3.22Å; N1233-L1236 HydrophobicContact CB-CB 4.2Å; N1233-L1236 WeakPolarHBondContact O-CA 3.49Å; N1233-L1236 VanDerWaalsContact O-CB 3.3Å; N1233-L1236 WeakPolarHBondContact O-CB 3.26Å; N1233-L1236 PolarHBondContact O-N 3.49Å; N1233-S1237 PolarHBondContact O-N 3.19Å | ||
| 1234 | I | 80.3 | Confident | 78 | Confident | 82 Ų | 82 | 70.2 Ų | 70.2 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -50 | -43 | 174.3 | -61.6 | 170.5 | 0 | 0 | 0 | 111.4 | S1230 L1236 S1237 E1238 | S1230-I1234 PolarHBondContact O-N 3Å; I1234-L1236 PolarHBondContact O-N 3.16Å; I1234-L1236 VanDerWaalsContact O-N 3.14Å; I1234-S1237 PolarHBondContact O-N 3.47Å; I1234-S1237 VanDerWaalsContact O-N 3.17Å; I1234-S1237 PolarHBondContact O-OG 2.77Å; I1234-E1238 HydrophobicContact CG2-CG 4.29Å; I1234-E1238 WeakPolarHBondContact O-CB 3.4Å; I1234-E1238 WeakPolarHBondContact O-CG 3.25Å; I1234-E1238 PolarHBondContact O-N 3.15Å |
| 1235 | K | 85.9 | Confident | 78.6 | Confident | 174 Ų | 174 | 70.7 Ų | 70.7 | 76% | 0.757 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.4 | -23.6 | 175.4 | -65.4 | -170.5 | 176.7 | -171.5 | 0 | 114.7 | N1233 E1238 F1239 | N1233-K1235 PolarHBondContact O-N 3.22Å; K1235-E1238 WeakPolarHBondContact CA-OE2 3.48Å; K1235-F1239 WeakPolarHBondContact O-CB 3.38Å; K1235-F1239 PolarHBondContact O-N 2.84Å |
| 1236 | L | 89.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -84.9 | -39.7 | 177.5 | -171.3 | 57.7 | 0 | 0 | 0 | 111.1 | M1029 L1090 K1094 Y1220 F1224 N1233 I1234 E1238 F1239 L1240 | M1029-L1236 HydrophobicContact CE-CD2 4.16Å; M1029-L1236 HydrophobicContact SD-CD2 3.91Å; L1090-L1236 HydrophobicContact CD2-CD2 4.03Å; K1094-L1236 HydrophobicContact CD-CD1 3.82Å; Y1220-L1236 HydrophobicContact CD2-CB 4.36Å; Y1220-L1236 HydrophobicContact CD2-CD2 3.96Å; Y1220-L1236 HydrophobicContact CD2-CG 3.94Å; Y1220-L1236 HydrophobicContact CE2-CB 4.14Å; Y1220-L1236 HydrophobicContact CE2-CD2 4.32Å; Y1220-L1236 HydrophobicContact CE2-CG 4.23Å; F1224-L1236 HydrophobicContact CE2-CD2 4Å; N1233-L1236 HydrophobicContact CB-CB 4.2Å; N1233-L1236 WeakPolarHBondContact O-CA 3.49Å; N1233-L1236 VanDerWaalsContact O-CB 3.3Å; N1233-L1236 WeakPolarHBondContact O-CB 3.26Å; N1233-L1236 PolarHBondContact O-N 3.49Å; I1234-L1236 PolarHBondContact O-N 3.16Å; I1234-L1236 VanDerWaalsContact O-N 3.14Å; L1236-E1238 VanDerWaalsContact C-N 3.34Å; L1236-F1239 HydrophobicContact CD1-CD1 4.17Å; L1236-F1239 PolarHBondContact O-N 2.88Å; L1236-L1240 HydrophobicContact CG-CD1 4.44Å; L1236-L1240 VanDerWaalsContact O-CG 3.27Å; L1236-L1240 WeakPolarHBondContact O-CG 3.3Å; L1236-L1240 PolarHBondContact O-N 3.32Å |
| 1237 | S | 89.6 | Confident | 80.9 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.3 | -34.8 | 170 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | N1233 I1234 T1241 | N1233-S1237 PolarHBondContact O-N 3.19Å; I1234-S1237 PolarHBondContact O-N 3.47Å; I1234-S1237 VanDerWaalsContact O-N 3.17Å; I1234-S1237 PolarHBondContact O-OG 2.77Å; S1237-T1241 VanDerWaalsContact O-CB 3.3Å; S1237-T1241 WeakPolarHBondContact O-CB 3.46Å; S1237-T1241 PolarHBondContact O-N 3.45Å; S1237-T1241 PolarHBondContact O-OG1 3.49Å |
| 1238 | E | 91.5 | Very high | 82.9 | Confident | 115 Ų | 115 | 56.6 Ų | 56.6 | 54% | 0.537 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.4 | -54.4 | 170.3 | -74.3 | 169.9 | 166.2 | 0 | 0 | 110.3 | I1234 K1235 L1236 L1240 T1241 D1242 | I1234-E1238 HydrophobicContact CG2-CG 4.29Å; I1234-E1238 WeakPolarHBondContact O-CB 3.4Å; I1234-E1238 WeakPolarHBondContact O-CG 3.25Å; I1234-E1238 PolarHBondContact O-N 3.15Å; K1235-E1238 WeakPolarHBondContact CA-OE2 3.48Å; L1236-E1238 VanDerWaalsContact C-N 3.34Å; E1238-L1240 PolarHBondContact O-N 3.42Å; E1238-T1241 PolarHBondContact O-N 2.85Å; E1238-D1242 WeakPolarHBondContact O-CB 3.43Å; E1238-D1242 PolarHBondContact O-N 2.98Å |
| 1239 | F | 94.3 | Very high | 84.8 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55 | -47.2 | 176.2 | 166.4 | -97.2 | 0 | 0 | 0 | 112.9 | F1093 K1094 Y1097 K1235 L1236 D1242 A1243 | F1093-F1239 HydrophobicContact CD1-CE1 4.27Å; F1093-F1239 HydrophobicContact CE1-CE1 4.07Å; F1093-F1239 HydrophobicContact CE1-CZ 4.46Å; K1094-F1239 HydrophobicContact CB-CE1 3.92Å; K1094-F1239 HydrophobicContact CB-CZ 4.29Å; K1094-F1239 HydrophobicContact CG-CD1 4.1Å; K1094-F1239 HydrophobicContact CG-CE1 3.73Å; K1094-F1239 HydrophobicContact CG-CZ 3.96Å; Y1097-F1239 HydrophobicContact CD1-CE2 4.41Å; Y1097-F1239 HydrophobicContact CD1-CZ 4.4Å; Y1097-F1239 HydrophobicContact CG-CZ 4.14Å; K1235-F1239 WeakPolarHBondContact O-CB 3.38Å; K1235-F1239 PolarHBondContact O-N 2.84Å; L1236-F1239 HydrophobicContact CD1-CD1 4.17Å; L1236-F1239 PolarHBondContact O-N 2.88Å; F1239-D1242 PolarHBondContact O-N 3Å; F1239-A1243 VanDerWaalsContact O-CB 3.24Å; F1239-A1243 WeakPolarHBondContact O-CB 3.39Å; F1239-A1243 PolarHBondContact O-N 2.92Å |
| 1240 | L | 94.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.7 | -33.6 | -178.3 | -65 | 170.4 | 0 | 0 | 0 | 112.6 | L1090 F1093 A1216 W1217 Y1220 L1236 E1238 M1244 | L1090-L1240 HydrophobicContact CD1-CD1 3.86Å; L1090-L1240 HydrophobicContact CD1-CD2 3.87Å; L1090-L1240 HydrophobicContact CD1-CG 4.38Å; F1093-L1240 HydrophobicContact CD1-CD2 3.95Å; F1093-L1240 HydrophobicContact CE1-CD2 3.71Å; A1216-L1240 HydrophobicContact CB-CD2 3.86Å; W1217-L1240 HydrophobicContact CE3-CB 3.6Å; W1217-L1240 HydrophobicContact CE3-CD1 4.2Å; W1217-L1240 HydrophobicContact CZ3-CB 3.83Å; Y1220-L1240 VanDerWaalsContact CB-CD1 3.47Å; Y1220-L1240 HydrophobicContact CD2-CD1 4Å; Y1220-L1240 HydrophobicContact CG-CD1 3.76Å; L1236-L1240 HydrophobicContact CG-CD1 4.44Å; L1236-L1240 VanDerWaalsContact O-CG 3.27Å; L1236-L1240 WeakPolarHBondContact O-CG 3.3Å; L1236-L1240 PolarHBondContact O-N 3.32Å; E1238-L1240 PolarHBondContact O-N 3.42Å; L1240-M1244 WeakPolarHBondContact O-CG 3.25Å; L1240-M1244 PolarHBondContact O-N 2.86Å |
| 1241 | T | 93.6 | Very high | 88.7 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 174.2 | -58 | 0 | 0 | 0 | 0 | 110.5 | F782 S1237 E1238 M1244 E1245 | F782-T1241 HydrophobicContact CZ-CG2 3.91Å; S1237-T1241 VanDerWaalsContact O-CB 3.3Å; S1237-T1241 WeakPolarHBondContact O-CB 3.46Å; S1237-T1241 PolarHBondContact O-N 3.45Å; S1237-T1241 PolarHBondContact O-OG1 3.49Å; E1238-T1241 PolarHBondContact O-N 2.85Å; T1241-M1244 PolarHBondContact O-N 3.22Å; T1241-E1245 WeakPolarHBondContact CG2-OE1 3.45Å; T1241-E1245 WeakPolarHBondContact O-CG 3.37Å; T1241-E1245 PolarHBondContact O-N 3.43Å |
| 1242 | D | 93.6 | Very high | 90.6 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 39% | 0.39 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66 | -39.6 | 178 | 168.7 | 67.5 | 0 | 0 | 0 | 112 | E1238 F1239 M1244 E1245 R1246 | E1238-D1242 WeakPolarHBondContact O-CB 3.43Å; E1238-D1242 PolarHBondContact O-N 2.98Å; F1239-D1242 PolarHBondContact O-N 3Å; D1242-M1244 PolarHBondContact O-N 2.84Å; D1242-E1245 PolarHBondContact O-N 3.1Å; D1242-R1246 WeakPolarHBondContact O-CB 3.35Å; D1242-R1246 WeakPolarHBondContact O-CG 3.32Å; D1242-R1246 PolarHBondContact O-N 3.49Å; D1242-R1246 IonicContact OD1-NE 2.87Å; D1242-R1246 PolarHBondContact OD1-NE 3.24Å; D1242-R1246 IonicContact OD2-CZ 2.62Å; D1242-R1246 IonicContact OD2-NE 3.53Å; D1242-R1246 PolarHBondContact OD2-NE 3.32Å; D1242-R1246 IonicContact OD2-NH2 2.89Å; D1242-R1246 PolarHBondContact OD2-NH2 3.11Å |
| 1243 | A | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | F1093 Y1097 F1239 R1246 V1247 | F1093-A1243 HydrophobicContact CE1-CB 4.47Å; F1093-A1243 HydrophobicContact CZ-CB 4.5Å; Y1097-A1243 HydrophobicContact CD2-CB 4.05Å; Y1097-A1243 HydrophobicContact CE1-CB 4.24Å; Y1097-A1243 HydrophobicContact CE2-CB 3.63Å; Y1097-A1243 HydrophobicContact CG-CB 4.49Å; Y1097-A1243 PolarHBondContact OH-O 3.4Å; F1239-A1243 VanDerWaalsContact O-CB 3.24Å; F1239-A1243 WeakPolarHBondContact O-CB 3.39Å; F1239-A1243 PolarHBondContact O-N 2.92Å; A1243-R1246 PolarHBondContact O-N 3.29Å; A1243-V1247 WeakPolarHBondContact O-CG2 3.22Å; A1243-V1247 PolarHBondContact O-N 2.93Å |
| 1244 | M | 95.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 174.4 | -75.7 | -171.7 | 152.1 | 0 | 0 | 112 | V779 F782 W783 S1213 K1214 W1217 L1240 T1241 D1242 R1246 V1247 I1248 | V779-M1244 HydrophobicContact CG1-CE 4.14Å; F782-M1244 HydrophobicContact CD1-SD 3.58Å; F782-M1244 VanDerWaalsContact CD1-SD 3.58Å; F782-M1244 HydrophobicContact CE1-SD 3.63Å; W783-M1244 HydrophobicContact CE3-CB 4.18Å; W783-M1244 HydrophobicContact CE3-CE 3.92Å; W783-M1244 HydrophobicContact CE3-CG 3.99Å; W783-M1244 HydrophobicContact CE3-SD 3.98Å; W783-M1244 HydrophobicContact CZ3-CB 4.01Å; W783-M1244 HydrophobicContact CZ3-CE 4.31Å; W783-M1244 HydrophobicContact CZ3-CG 3.86Å; W783-M1244 HydrophobicContact CZ3-SD 4.43Å; S1213-M1244 VanDerWaalsContact OG-CG 3.31Å; S1213-M1244 WeakPolarHBondContact OG-CG 3.5Å; K1214-M1244 HydrophobicContact CB-CE 4.46Å; K1214-M1244 HydrophobicContact CG-CE 4.07Å; W1217-M1244 HydrophobicContact CB-CE 3.55Å; W1217-M1244 HydrophobicContact CB-SD 4.4Å; W1217-M1244 HydrophobicContact CD2-SD 4.46Å; W1217-M1244 HydrophobicContact CG-CE 4.03Å; W1217-M1244 HydrophobicContact CG-SD 4.39Å; L1240-M1244 WeakPolarHBondContact O-CG 3.25Å; L1240-M1244 PolarHBondContact O-N 2.86Å; T1241-M1244 PolarHBondContact O-N 3.22Å; D1242-M1244 PolarHBondContact O-N 2.84Å; M1244-R1246 VanDerWaalsContact C-N 3.25Å; M1244-R1246 PolarHBondContact O-N 3.14Å; M1244-V1247 PolarHBondContact O-N 3.04Å; M1244-I1248 WeakPolarHBondContact O-CD1 3.27Å; M1244-I1248 WeakPolarHBondContact O-CG1 3.46Å; M1244-I1248 PolarHBondContact O-N 3.2Å |
| 1245 | E | 95 | Very high | 94 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.8 | -36.8 | 177.1 | -73.7 | 179.6 | -153.2 | 0 | 0 | 111.6 | C786 K789 V790 R793 T1241 D1242 C1249 | C786-E1245 HydrophobicContact CB-CG 3.82Å; K789-E1245 HydrophobicContact CD-CG 4.49Å; K789-E1245 WeakPolarHBondContact CD-OE1 3.45Å; K789-E1245 WeakPolarHBondContact CE-OE1 3.36Å; K789-E1245 IonicContact NZ-OE1 3.98Å; K789-E1245 PolarHBondContact NZ-OE1 2.62Å; V790-E1245 HydrophobicContact CG2-CB 3.81Å; V790-E1245 HydrophobicContact CG2-CG 4.04Å; V790-E1245 VanDerWaalsContact CG2-O 3.26Å; V790-E1245 WeakPolarHBondContact CG2-O 3.5Å; R793-E1245 IonicContact CZ-OE2 3.2Å; R793-E1245 IonicContact NH1-OE2 3.65Å; R793-E1245 PolarHBondContact NH1-OE2 3.08Å; R793-E1245 IonicContact NH2-OE2 3.22Å; R793-E1245 PolarHBondContact NH2-OE2 3.03Å; T1241-E1245 WeakPolarHBondContact CG2-OE1 3.45Å; T1241-E1245 WeakPolarHBondContact O-CG 3.37Å; T1241-E1245 PolarHBondContact O-N 3.43Å; D1242-E1245 PolarHBondContact O-N 3.1Å; E1245-C1249 WeakPolarHBondContact O-CB 3.27Å; E1245-C1249 PolarHBondContact O-N 3.16Å; E1245-C1249 VanDerWaalsContact O-N 3.09Å |
| 1246 | R | 95.5 | Very high | 94.4 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 9% | 0.094 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -75.9 | -34.9 | 176.4 | -72.9 | -173.4 | -72.7 | 137.6 | -0.3 | 114.2 | L797 Y1097 E1101 D1242 A1243 M1244 C1249 L1250 | L797-R1246 HydrophobicContact CD2-CB 4.12Å; L797-R1246 HydrophobicContact CD2-CG 4.44Å; Y1097-R1246 WeakPolarHBondContact OH-CB 3.43Å; E1101-R1246 IonicContact OE1-CZ 3.26Å; E1101-R1246 IonicContact OE1-NE 3Å; E1101-R1246 IonicContact OE1-NH1 2.81Å; E1101-R1246 PolarHBondContact OE1-NH1 3.34Å; E1101-R1246 IonicContact OE2-NH1 3.65Å; E1101-R1246 PolarHBondContact OE2-NH1 3.46Å; D1242-R1246 WeakPolarHBondContact O-CB 3.35Å; D1242-R1246 WeakPolarHBondContact O-CG 3.32Å; D1242-R1246 PolarHBondContact O-N 3.49Å; D1242-R1246 IonicContact OD1-NE 2.87Å; D1242-R1246 PolarHBondContact OD1-NE 3.24Å; D1242-R1246 IonicContact OD2-CZ 2.62Å; D1242-R1246 IonicContact OD2-NE 3.53Å; D1242-R1246 PolarHBondContact OD2-NE 3.32Å; D1242-R1246 IonicContact OD2-NH2 2.89Å; D1242-R1246 PolarHBondContact OD2-NH2 3.11Å; A1243-R1246 PolarHBondContact O-N 3.29Å; M1244-R1246 VanDerWaalsContact C-N 3.25Å; M1244-R1246 PolarHBondContact O-N 3.14Å; R1246-C1249 VanDerWaalsContact O-CB 3.31Å; R1246-C1249 WeakPolarHBondContact O-CB 3.46Å; R1246-C1249 PolarHBondContact O-N 3.37Å; R1246-L1250 PolarHBondContact O-N 3.33Å |
| 1247 | V | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 172.6 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | W783 Y1097 L1206 L1209 E1210 A1243 M1244 C1249 L1250 Q1251 | W783-V1247 HydrophobicContact CH2-CB 4.26Å; W783-V1247 HydrophobicContact CH2-CG1 3.95Å; Y1097-V1247 HydrophobicContact CE2-CG2 3.82Å; L1206-V1247 HydrophobicContact CD1-CG1 4.27Å; L1209-V1247 HydrophobicContact CD2-CG2 3.95Å; L1209-V1247 HydrophobicContact CG-CG2 3.78Å; E1210-V1247 HydrophobicContact CB-CG1 4.14Å; A1243-V1247 WeakPolarHBondContact O-CG2 3.22Å; A1243-V1247 PolarHBondContact O-N 2.93Å; M1244-V1247 PolarHBondContact O-N 3.04Å; V1247-C1249 VanDerWaalsContact C-N 3.27Å; V1247-C1249 PolarHBondContact O-N 3.27Å; V1247-L1250 WeakPolarHBondContact O-CB 3.49Å; V1247-L1250 PolarHBondContact O-N 2.67Å; V1247-L1250 VanDerWaalsContact O-N 3.15Å; V1247-Q1251 PolarHBondContact O-N 2.98Å |
| 1248 | I | 95.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 174.8 | -63.1 | 156.5 | 0 | 0 | 0 | 110.7 | W783 C786 L787 V790 M1244 Q1251 M1252 | W783-I1248 HydrophobicContact CD2-CD1 3.91Å; W783-I1248 HydrophobicContact CD2-CG1 4.17Å; W783-I1248 HydrophobicContact CE3-CD1 4Å; W783-I1248 HydrophobicContact CE3-CG1 4.31Å; W783-I1248 HydrophobicContact CH2-CD1 4.25Å; W783-I1248 HydrophobicContact CH2-CG1 3.65Å; W783-I1248 HydrophobicContact CZ2-CD1 4.15Å; W783-I1248 HydrophobicContact CZ2-CG1 3.46Å; W783-I1248 VanDerWaalsContact CZ2-CG1 3.46Å; W783-I1248 HydrophobicContact CZ3-CD1 4.17Å; W783-I1248 HydrophobicContact CZ3-CG1 4.07Å; C786-I1248 HydrophobicContact CB-CD1 3.78Å; L787-I1248 HydrophobicContact CB-CD1 3.95Å; L787-I1248 HydrophobicContact CB-CG2 4.03Å; L787-I1248 HydrophobicContact CD1-CG2 4.2Å; L787-I1248 HydrophobicContact CG-CG2 4.09Å; V790-I1248 HydrophobicContact CB-CG2 4.25Å; V790-I1248 HydrophobicContact CG1-CG2 4.23Å; V790-I1248 HydrophobicContact CG2-CB 4.45Å; V790-I1248 HydrophobicContact CG2-CG2 4.5Å; M1244-I1248 WeakPolarHBondContact O-CD1 3.27Å; M1244-I1248 WeakPolarHBondContact O-CG1 3.46Å; M1244-I1248 PolarHBondContact O-N 3.2Å; I1248-Q1251 PolarHBondContact O-N 3.04Å; I1248-M1252 WeakPolarHBondContact O-CG 2.98Å; I1248-M1252 PolarHBondContact O-N 3.18Å |
| 1249 | C | 95.1 | Very high | 95 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 171.8 | -164.1 | 0 | 0 | 0 | 0 | 111.3 | V790 L797 E1245 R1246 V1247 Q1251 M1252 V1253 | V790-C1249 HydrophobicContact CG1-CB 4.11Å; L797-C1249 HydrophobicContact CD1-CB 4.14Å; L797-C1249 HydrophobicContact CG-CB 4.45Å; E1245-C1249 WeakPolarHBondContact O-CB 3.27Å; E1245-C1249 PolarHBondContact O-N 3.16Å; E1245-C1249 VanDerWaalsContact O-N 3.09Å; R1246-C1249 VanDerWaalsContact O-CB 3.31Å; R1246-C1249 WeakPolarHBondContact O-CB 3.46Å; R1246-C1249 PolarHBondContact O-N 3.37Å; V1247-C1249 VanDerWaalsContact C-N 3.27Å; V1247-C1249 PolarHBondContact O-N 3.27Å; C1249-Q1251 VanDerWaalsContact C-N 3.34Å; C1249-Q1251 PolarHBondContact O-N 3.15Å; C1249-M1252 PolarHBondContact O-N 3Å; C1249-V1253 WeakPolarHBondContact O-CG2 3.38Å; C1249-V1253 PolarHBondContact O-N 3.01Å |
| 1250 | L | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 175.1 | -75.9 | 170.3 | 0 | 0 | 0 | 113 | L797 E1101 I1104 A1105 L1108 L1206 L1209 R1246 V1247 V1253 Y1254 | L797-L1250 HydrophobicContact CD1-CD2 3.74Å; L797-L1250 HydrophobicContact CD1-CG 4Å; L797-L1250 HydrophobicContact CD2-CD1 4.3Å; L797-L1250 HydrophobicContact CD2-CD2 4Å; L797-L1250 HydrophobicContact CD2-CG 3.8Å; E1101-L1250 HydrophobicContact CG-CD1 4.41Å; I1104-L1250 HydrophobicContact CB-CD1 4.46Å; I1104-L1250 HydrophobicContact CG2-CD1 4.47Å; I1104-L1250 HydrophobicContact CG2-CD2 4.24Å; A1105-L1250 HydrophobicContact CB-CD2 3.94Å; L1108-L1250 HydrophobicContact CD1-CD2 4.37Å; L1206-L1250 HydrophobicContact CD1-CB 3.75Å; L1206-L1250 HydrophobicContact CD1-CD1 4.43Å; L1209-L1250 HydrophobicContact CD2-CD1 4.43Å; R1246-L1250 PolarHBondContact O-N 3.33Å; V1247-L1250 WeakPolarHBondContact O-CB 3.49Å; V1247-L1250 PolarHBondContact O-N 2.67Å; V1247-L1250 VanDerWaalsContact O-N 3.15Å; L1250-V1253 PolarHBondContact O-N 2.7Å; L1250-Y1254 VanDerWaalsContact O-CB 3.31Å; L1250-Y1254 WeakPolarHBondContact O-CB 3.49Å; L1250-Y1254 PolarHBondContact O-N 3.45Å |
| 1251 | Q | 95.7 | Very high | 95 | Very high | 55 Ų | 55 | 28.9 Ų | 28.9 | 26% | 0.257 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.2 | -70.1 | -178 | -34.5 | 0 | 0 | 112.5 | L1206 E1210 V1247 I1248 C1249 R1255 | L1206-Q1251 HydrophobicContact CD1-CG 4.11Å; L1206-Q1251 HydrophobicContact CD2-CG 4.03Å; L1206-Q1251 HydrophobicContact CG-CG 4.02Å; E1210-Q1251 PolarHBondContact OE2-NE2 3.2Å; V1247-Q1251 PolarHBondContact O-N 2.98Å; I1248-Q1251 PolarHBondContact O-N 3.04Å; C1249-Q1251 VanDerWaalsContact C-N 3.34Å; C1249-Q1251 PolarHBondContact O-N 3.15Å; Q1251-R1255 PolarHBondContact O-N 3.48Å; Q1251-R1255 VanDerWaalsContact O-N 3.11Å |
| 1252 | M | 94.6 | Very high | 95.1 | Very high | 28 Ų | 28 | 32 Ų | 32 | 14% | 0.138 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 174.4 | -69.5 | -178.5 | 64.2 | 0 | 0 | 112 | V790 K791 L795 I1248 C1249 R1256 | V790-M1252 HydrophobicContact CG1-SD 3.9Å; K791-M1252 HydrophobicContact CG-CE 4.45Å; K791-M1252 HydrophobicContact CG-SD 4.44Å; L795-M1252 HydrophobicContact CD1-CB 4.46Å; L795-M1252 HydrophobicContact CD2-CB 4.13Å; L795-M1252 HydrophobicContact CD2-CE 4.15Å; L795-M1252 HydrophobicContact CD2-SD 4.34Å; I1248-M1252 WeakPolarHBondContact O-CG 2.98Å; I1248-M1252 PolarHBondContact O-N 3.18Å; C1249-M1252 PolarHBondContact O-N 3Å; M1252-R1256 WeakPolarHBondContact O-CB 3.44Å; M1252-R1256 VanDerWaalsContact O-CG 3.29Å; M1252-R1256 WeakPolarHBondContact O-CG 3.36Å; M1252-R1256 PolarHBondContact O-N 3.47Å; M1252-R1256 VanDerWaalsContact O-N 3.09Å |
| 1253 | V | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.5 | -48.5 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L795 L797 F802 L805 L1108 C1249 L1250 R1255 R1256 M1257 | L795-V1253 HydrophobicContact CB-CG2 4.31Å; L795-V1253 HydrophobicContact CD1-CG2 4.16Å; L797-V1253 HydrophobicContact CD1-CG2 4.34Å; F802-V1253 HydrophobicContact CB-CG1 4.35Å; F802-V1253 HydrophobicContact CB-CG2 3.69Å; F802-V1253 HydrophobicContact CD1-CG1 3.45Å; F802-V1253 VanDerWaalsContact CD1-CG1 3.45Å; F802-V1253 HydrophobicContact CD1-CG2 4.3Å; F802-V1253 HydrophobicContact CD2-CG1 4.07Å; F802-V1253 HydrophobicContact CD2-CG2 3.82Å; F802-V1253 HydrophobicContact CE1-CG1 3.54Å; F802-V1253 HydrophobicContact CE2-CG1 4.16Å; F802-V1253 HydrophobicContact CE2-CG2 4.48Å; F802-V1253 HydrophobicContact CG-CB 4.41Å; F802-V1253 HydrophobicContact CG-CG1 3.71Å; F802-V1253 HydrophobicContact CG-CG2 3.7Å; F802-V1253 HydrophobicContact CZ-CG1 3.9Å; L805-V1253 HydrophobicContact CD1-CB 4.49Å; L805-V1253 HydrophobicContact CD1-CG1 4.03Å; L1108-V1253 HydrophobicContact CB-CG1 4.17Å; L1108-V1253 HydrophobicContact CD1-CG1 4.11Å; C1249-V1253 WeakPolarHBondContact O-CG2 3.38Å; C1249-V1253 PolarHBondContact O-N 3.01Å; L1250-V1253 PolarHBondContact O-N 2.7Å; V1253-R1255 PolarHBondContact O-N 3Å; V1253-R1256 PolarHBondContact O-N 3.5Å; V1253-M1257 VanDerWaalsContact O-CB 3.26Å; V1253-M1257 WeakPolarHBondContact O-CB 3.27Å; V1253-M1257 PolarHBondContact O-N 3.23Å |
| 1254 | Y | 96.3 | Very high | 95 | Very high | 65 Ų | 65 | 35.2 Ų | 35.2 | 26% | 0.255 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -53.5 | -54.2 | 176.7 | 177 | -88.9 | 0 | 0 | 0 | 110.6 | L1108 L1202 P1203 L1206 L1250 R1256 M1257 S1258 | L1108-Y1254 HydrophobicContact CD2-CD2 4.06Å; L1202-Y1254 HydrophobicContact CD2-CD2 4.44Å; L1202-Y1254 HydrophobicContact CD2-CE2 4.32Å; P1203-Y1254 HydrophobicContact CB-CE2 4.3Å; L1206-Y1254 HydrophobicContact CD2-CD2 4.5Å; L1206-Y1254 HydrophobicContact CD2-CG 4.15Å; L1250-Y1254 VanDerWaalsContact O-CB 3.31Å; L1250-Y1254 WeakPolarHBondContact O-CB 3.49Å; L1250-Y1254 PolarHBondContact O-N 3.45Å; Y1254-R1256 PolarHBondContact O-N 3.25Å; Y1254-M1257 PolarHBondContact O-N 2.85Å; Y1254-S1258 PolarHBondContact O-N 3.46Å; Y1254-S1258 PolarHBondContact O-OG 3.05Å; Y1254-S1258 VanDerWaalsContact O-OG 3.08Å |
| 1255 | R | 95.1 | Very high | 94.9 | Very high | 130 Ų | 130 | 35.1 Ų | 35.1 | 49% | 0.491 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60 | -48.6 | -178.1 | -161.4 | -167.9 | 84.8 | -155.1 | 10.7 | 112.4 | E808 Q1251 V1253 M1257 S1258 A1259 | E808-R1255 IonicContact OE2-CZ 2.81Å; E808-R1255 IonicContact OE2-NE 2.62Å; E808-R1255 PolarHBondContact OE2-NE 2.84Å; E808-R1255 IonicContact OE2-NH2 2.82Å; E808-R1255 PolarHBondContact OE2-NH2 2.92Å; Q1251-R1255 PolarHBondContact O-N 3.48Å; Q1251-R1255 VanDerWaalsContact O-N 3.11Å; V1253-R1255 PolarHBondContact O-N 3Å; R1255-M1257 PolarHBondContact O-N 3.33Å; R1255-S1258 PolarHBondContact O-N 3.04Å; R1255-A1259 PolarHBondContact O-N 3.43Å |
| 1256 | R | 94.9 | Very high | 94.8 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 15% | 0.151 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.6 | -35.7 | -179.7 | -69.7 | 175.5 | -176.4 | -165.3 | 2.7 | 112.1 | L805 E806 M1252 V1253 Y1254 A1259 R1260 | L805-R1256 HydrophobicContact CB-CB 3.91Å; L805-R1256 HydrophobicContact CD1-CB 4.03Å; L805-R1256 HydrophobicContact CG-CB 4.43Å; L805-R1256 WeakPolarHBondContact O-CD 3.47Å; L805-R1256 PolarHBondContact O-NH1 3.09Å; E806-R1256 VanDerWaalsContact O-CD 3.23Å; E806-R1256 WeakPolarHBondContact O-CD 3.38Å; E806-R1256 PolarHBondContact O-NE 3.24Å; M1252-R1256 WeakPolarHBondContact O-CB 3.44Å; M1252-R1256 VanDerWaalsContact O-CG 3.29Å; M1252-R1256 WeakPolarHBondContact O-CG 3.36Å; M1252-R1256 PolarHBondContact O-N 3.47Å; M1252-R1256 VanDerWaalsContact O-N 3.09Å; V1253-R1256 PolarHBondContact O-N 3.5Å; Y1254-R1256 PolarHBondContact O-N 3.25Å; R1256-A1259 PolarHBondContact O-N 2.78Å; R1256-R1260 WeakPolarHBondContact O-CB 3.17Å; R1256-R1260 PolarHBondContact O-N 3.29Å |
| 1257 | M | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.9 | -39.4 | 178.1 | -162.4 | 61.6 | -126.2 | 0 | 0 | 111.8 | L805 L1108 L1111 K1112 V1115 V1253 Y1254 R1255 A1259 R1260 F1261 | L805-M1257 HydrophobicContact CD1-CB 4.29Å; L805-M1257 HydrophobicContact CD2-SD 3.85Å; L1108-M1257 HydrophobicContact CD2-CB 4.4Å; L1111-M1257 HydrophobicContact CB-CG 4.32Å; L1111-M1257 HydrophobicContact CD2-CG 3.86Å; L1111-M1257 HydrophobicContact CG-CE 4.1Å; L1111-M1257 HydrophobicContact CG-CG 3.92Å; K1112-M1257 HydrophobicContact CB-SD 3.72Å; K1112-M1257 HydrophobicContact CG-SD 4.46Å; V1115-M1257 HydrophobicContact CB-CE 4.07Å; V1115-M1257 HydrophobicContact CG2-CE 3.68Å; V1253-M1257 VanDerWaalsContact O-CB 3.26Å; V1253-M1257 WeakPolarHBondContact O-CB 3.27Å; V1253-M1257 PolarHBondContact O-N 3.23Å; Y1254-M1257 PolarHBondContact O-N 2.85Å; R1255-M1257 PolarHBondContact O-N 3.33Å; M1257-A1259 VanDerWaalsContact C-N 3.27Å; M1257-A1259 PolarHBondContact O-N 2.88Å; M1257-R1260 HydrophobicContact CE-CB 4.03Å; M1257-R1260 HydrophobicContact CE-CG 4.22Å; M1257-R1260 PolarHBondContact O-N 3.28Å; M1257-F1261 WeakPolarHBondContact O-CB 3.4Å; M1257-F1261 PolarHBondContact O-N 3.07Å |
| 1258 | S | 93.8 | Very high | 94.3 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 26% | 0.259 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.1 | -36.1 | 170 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | Y1254 R1255 R1262 | Y1254-S1258 PolarHBondContact O-N 3.46Å; Y1254-S1258 PolarHBondContact O-OG 3.05Å; Y1254-S1258 VanDerWaalsContact O-OG 3.08Å; R1255-S1258 PolarHBondContact O-N 3.04Å; S1258-R1262 WeakPolarHBondContact O-CG 3.47Å; S1258-R1262 PolarHBondContact O-N 3.3Å |
| 1259 | A | 93.6 | Very high | 94 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.9 | -49.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E808 R1255 R1256 M1257 F1261 R1262 H1263 | E808-A1259 WeakPolarHBondContact OE1-CB 3.27Å; R1255-A1259 PolarHBondContact O-N 3.43Å; R1256-A1259 PolarHBondContact O-N 2.78Å; M1257-A1259 VanDerWaalsContact C-N 3.27Å; M1257-A1259 PolarHBondContact O-N 2.88Å; A1259-F1261 PolarHBondContact O-N 2.85Å; A1259-R1262 WeakPolarHBondContact O-CB 3.38Å; A1259-R1262 PolarHBondContact O-N 3.12Å; A1259-H1263 PolarHBondContact O-N 3.49Å |
| 1260 | R | 94.2 | Very high | 93.8 | Very high | 79 Ų | 79 | 47.7 Ų | 47.7 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60 | -34.6 | 176.9 | -167.9 | 174.4 | -174.3 | 179.7 | 4.6 | 112.1 | D804 R1256 M1257 T1264 | D804-R1260 IonicContact OD2-CZ 2.75Å; D804-R1260 IonicContact OD2-NH1 3.98Å; D804-R1260 PolarHBondContact OD2-NH1 3.36Å; D804-R1260 IonicContact OD2-NH2 3.84Å; R1256-R1260 WeakPolarHBondContact O-CB 3.17Å; R1256-R1260 PolarHBondContact O-N 3.29Å; M1257-R1260 HydrophobicContact CE-CB 4.03Å; M1257-R1260 HydrophobicContact CE-CG 4.22Å; M1257-R1260 PolarHBondContact O-N 3.28Å; R1260-T1264 WeakPolarHBondContact O-CB 3.24Å; R1260-T1264 PolarHBondContact O-N 2.94Å; R1260-T1264 PolarHBondContact O-OG1 2.79Å |
| 1261 | F | 95.3 | Very high | 93.6 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -46.9 | 171.3 | 178 | -103.5 | 0 | 0 | 0 | 112.4 | L1111 V1115 M1257 A1259 H1263 T1264 L1265 V1280 F1283 | L1111-F1261 HydrophobicContact CD1-CD2 4Å; V1115-F1261 HydrophobicContact CG2-CD2 4.5Å; M1257-F1261 WeakPolarHBondContact O-CB 3.4Å; M1257-F1261 PolarHBondContact O-N 3.07Å; A1259-F1261 PolarHBondContact O-N 2.85Å; F1261-H1263 PolarHBondContact O-N 3.06Å; F1261-T1264 WeakPolarHBondContact O-CA 3.38Å; F1261-T1264 WeakPolarHBondContact O-CB 3Å; F1261-T1264 PolarHBondContact O-N 3.26Å; F1261-L1265 HydrophobicContact CD1-CD1 4.27Å; F1261-L1265 HydrophobicContact CE1-CD1 3.58Å; F1261-L1265 HydrophobicContact CE1-CG 4.06Å; F1261-L1265 HydrophobicContact CE2-CD2 4.32Å; F1261-L1265 HydrophobicContact CE2-CG 4.42Å; F1261-L1265 HydrophobicContact CZ-CD1 3.84Å; F1261-L1265 HydrophobicContact CZ-CD2 3.98Å; F1261-L1265 HydrophobicContact CZ-CG 3.98Å; F1261-L1265 PolarHBondContact O-N 2.66Å; F1261-V1280 HydrophobicContact CD1-CG2 3.71Å; F1261-V1280 HydrophobicContact CD2-CG2 4.36Å; F1261-V1280 HydrophobicContact CE1-CB 4.37Å; F1261-V1280 HydrophobicContact CE1-CG2 3.69Å; F1261-V1280 HydrophobicContact CE2-CG1 4.41Å; F1261-V1280 HydrophobicContact CE2-CG2 4.35Å; F1261-V1280 HydrophobicContact CG-CG2 4.06Å; F1261-V1280 HydrophobicContact CZ-CB 4.29Å; F1261-V1280 HydrophobicContact CZ-CG2 4.03Å; F1261-F1283 AromaticContact CE2-CD1 3.68Å; F1261-F1283 HydrophobicContact CE2-CD1 3.68Å; F1261-F1283 HydrophobicContact CE2-CE1 4.2Å; F1261-F1283 HydrophobicContact CE2-CG 4.32Å; F1261-F1283 HydrophobicContact CZ-CB 4Å; F1261-F1283 AromaticContact CZ-CD1 3.93Å; F1261-F1283 HydrophobicContact CZ-CD1 3.93Å; F1261-F1283 HydrophobicContact CZ-CG 4.09Å |
| 1262 | R | 94.5 | Very high | 93.4 | Very high | 96 Ų | 96 | 52.4 Ų | 52.4 | 36% | 0.362 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.7 | -48 | 174.6 | -73 | -178.4 | -67.3 | 109 | -4.9 | 112 | E808 S1258 A1259 T1264 L1265 E1266 | E808-R1262 IonicContact OE1-NH2 3.03Å; S1258-R1262 WeakPolarHBondContact O-CG 3.47Å; S1258-R1262 PolarHBondContact O-N 3.3Å; A1259-R1262 WeakPolarHBondContact O-CB 3.38Å; A1259-R1262 PolarHBondContact O-N 3.12Å; R1262-T1264 VanDerWaalsContact C-N 3.25Å; R1262-T1264 PolarHBondContact O-N 2.79Å; R1262-L1265 WeakPolarHBondContact O-CB 3.38Å; R1262-L1265 PolarHBondContact O-N 2.93Å; R1262-L1265 VanDerWaalsContact O-N 3.12Å; R1262-E1266 WeakPolarHBondContact O-CG 3.25Å; R1262-E1266 PolarHBondContact O-N 3.37Å |
| 1263 | H | 93.3 | Very high | 93.3 | Very high | 132 Ų | 132 | 54.5 Ų | 54.5 | 61% | 0.611 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.2 | -31.6 | 174.1 | -96 | -11.9 | 0 | 0 | 0 | 113.2 | A1259 F1261 E1266 Y1267 | A1259-H1263 PolarHBondContact O-N 3.49Å; F1261-H1263 PolarHBondContact O-N 3.06Å; H1263-E1266 IonicContact CE1-OE2 2.85Å; H1263-E1266 IonicContact CG-OE2 2.69Å; H1263-E1266 IonicContact ND1-OE2 2.79Å; H1263-E1266 PolarHBondContact ND1-OE2 3.29Å; H1263-E1266 PolarHBondContact O-N 3.33Å; H1263-Y1267 WeakPolarHBondContact O-CB 3.42Å; H1263-Y1267 PolarHBondContact O-N 3.39Å |
| 1264 | T | 93.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.7 | -38.1 | 175 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | V1115 L1118 I1119 R1260 F1261 R1262 Y1267 L1268 | V1115-T1264 HydrophobicContact CG1-CG2 4.2Å; V1115-T1264 VanDerWaalsContact CG1-OG1 3.32Å; V1115-T1264 WeakPolarHBondContact CG1-OG1 3.45Å; V1115-T1264 HydrophobicContact CG2-CG2 4.41Å; L1118-T1264 HydrophobicContact CD2-CG2 4.38Å; I1119-T1264 HydrophobicContact CD1-CG2 4.3Å; I1119-T1264 HydrophobicContact CG1-CG2 4.32Å; R1260-T1264 WeakPolarHBondContact O-CB 3.24Å; R1260-T1264 PolarHBondContact O-N 2.94Å; R1260-T1264 PolarHBondContact O-OG1 2.79Å; F1261-T1264 WeakPolarHBondContact O-CA 3.38Å; F1261-T1264 WeakPolarHBondContact O-CB 3Å; F1261-T1264 PolarHBondContact O-N 3.26Å; R1262-T1264 VanDerWaalsContact C-N 3.25Å; R1262-T1264 PolarHBondContact O-N 2.79Å; T1264-Y1267 PolarHBondContact O-N 3.16Å; T1264-L1268 HydrophobicContact CG2-CD1 4.29Å; T1264-L1268 WeakPolarHBondContact O-CD1 3.48Å; T1264-L1268 VanDerWaalsContact O-CG 3.25Å; T1264-L1268 WeakPolarHBondContact O-CG 3.38Å; T1264-L1268 PolarHBondContact O-N 3.14Å; T1264-L1268 VanDerWaalsContact O-N 3.07Å |
| 1265 | L | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 172.3 | -64.5 | -177.8 | 0 | 0 | 0 | 112.1 | F1261 R1262 L1268 G1269 Y1270 A1275 T1278 F1283 | F1261-L1265 HydrophobicContact CD1-CD1 4.27Å; F1261-L1265 HydrophobicContact CE1-CD1 3.58Å; F1261-L1265 HydrophobicContact CE1-CG 4.06Å; F1261-L1265 HydrophobicContact CE2-CD2 4.32Å; F1261-L1265 HydrophobicContact CE2-CG 4.42Å; F1261-L1265 HydrophobicContact CZ-CD1 3.84Å; F1261-L1265 HydrophobicContact CZ-CD2 3.98Å; F1261-L1265 HydrophobicContact CZ-CG 3.98Å; F1261-L1265 PolarHBondContact O-N 2.66Å; R1262-L1265 WeakPolarHBondContact O-CB 3.38Å; R1262-L1265 PolarHBondContact O-N 2.93Å; R1262-L1265 VanDerWaalsContact O-N 3.12Å; L1265-L1268 CarbonylContact O-C 3.55Å; L1265-L1268 WeakPolarHBondContact O-CA 3.5Å; L1265-L1268 PolarHBondContact O-N 3.39Å; L1265-L1268 VanDerWaalsContact O-N 3.14Å; L1265-G1269 PolarHBondContact O-N 3.28Å; L1265-Y1270 HydrophobicContact CB-CG 4.26Å; L1265-Y1270 WeakPolarHBondContact O-CB 3.36Å; L1265-Y1270 PolarHBondContact O-N 3.48Å; L1265-A1275 HydrophobicContact CB-CB 3.9Å; L1265-A1275 HydrophobicContact CD1-CB 4.31Å; L1265-T1278 HydrophobicContact CD1-CG2 3.86Å; L1265-F1283 HydrophobicContact CD2-CD1 4.18Å; L1265-F1283 HydrophobicContact CD2-CD2 3.48Å; L1265-F1283 VanDerWaalsContact CD2-CD2 3.48Å; L1265-F1283 HydrophobicContact CD2-CE1 4.16Å; L1265-F1283 HydrophobicContact CD2-CE2 3.46Å; L1265-F1283 VanDerWaalsContact CD2-CE2 3.46Å; L1265-F1283 HydrophobicContact CD2-CG 3.84Å; L1265-F1283 HydrophobicContact CD2-CZ 3.82Å |
| 1266 | E | 92.4 | Very high | 92.6 | Very high | 59 Ų | 59 | 54.8 Ų | 54.8 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 176.1 | -69.8 | 166.3 | 170.8 | 0 | 0 | 111.9 | R1262 H1263 L1268 G1269 Y1270 P1272 A1275 | R1262-E1266 WeakPolarHBondContact O-CG 3.25Å; R1262-E1266 PolarHBondContact O-N 3.37Å; H1263-E1266 IonicContact CE1-OE2 2.85Å; H1263-E1266 IonicContact CG-OE2 2.69Å; H1263-E1266 IonicContact ND1-OE2 2.79Å; H1263-E1266 PolarHBondContact ND1-OE2 3.29Å; H1263-E1266 PolarHBondContact O-N 3.33Å; E1266-L1268 PolarHBondContact O-N 3Å; E1266-G1269 PolarHBondContact O-N 2.84Å; E1266-Y1270 WeakPolarHBondContact CA-O 3.49Å; E1266-P1272 WeakPolarHBondContact OE1-CA 3.4Å; E1266-P1272 WeakPolarHBondContact OE1-CB 3.3Å; E1266-A1275 HydrophobicContact CG-CB 3.89Å |
| 1267 | Y | 90.8 | Very high | 92.5 | Very high | 153 Ų | 153 | 57.3 Ų | 57.3 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.5 | -33.8 | 170.1 | 171.3 | -102 | 0 | 0 | 0 | 112.6 | H1263 T1264 G1269 | H1263-Y1267 WeakPolarHBondContact O-CB 3.42Å; H1263-Y1267 PolarHBondContact O-N 3.39Å; T1264-Y1267 PolarHBondContact O-N 3.16Å; Y1267-G1269 PolarHBondContact O-N 2.85Å |
| 1268 | L | 91.1 | Very high | 92.4 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 10.3 | 173.3 | -65.4 | 168 | 0 | 0 | 0 | 113.7 | L1118 L1148 T1264 L1265 E1266 Y1270 F1283 | L1118-L1268 HydrophobicContact CD2-CD1 3.91Å; L1148-L1268 HydrophobicContact CD1-CB 4.38Å; L1148-L1268 HydrophobicContact CD2-CD1 4.16Å; L1148-L1268 HydrophobicContact CD2-CD2 4.35Å; T1264-L1268 HydrophobicContact CG2-CD1 4.29Å; T1264-L1268 WeakPolarHBondContact O-CD1 3.48Å; T1264-L1268 VanDerWaalsContact O-CG 3.25Å; T1264-L1268 WeakPolarHBondContact O-CG 3.38Å; T1264-L1268 PolarHBondContact O-N 3.14Å; T1264-L1268 VanDerWaalsContact O-N 3.07Å; L1265-L1268 CarbonylContact O-C 3.55Å; L1265-L1268 WeakPolarHBondContact O-CA 3.5Å; L1265-L1268 PolarHBondContact O-N 3.39Å; L1265-L1268 VanDerWaalsContact O-N 3.14Å; E1266-L1268 PolarHBondContact O-N 3Å; L1268-Y1270 HydrophobicContact CB-CD2 4.49Å; L1268-F1283 HydrophobicContact CD1-CE2 4.21Å; L1268-F1283 HydrophobicContact CD1-CZ 3.62Å |
| 1269 | G | 88.2 | Confident | 92.3 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 64% | 0.639 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 10.7 | 172 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1265 E1266 Y1267 | L1265-G1269 PolarHBondContact O-N 3.28Å; E1266-G1269 PolarHBondContact O-N 2.84Å; Y1267-G1269 PolarHBondContact O-N 2.85Å |
| 1270 | Y | 91.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | trans | -74.3 | 136.4 | 170.9 | -72.6 | -120.2 | 0 | 0 | 0 | 109.3 | L1148 D1149 L1265 E1266 L1268 R1274 | L1148-Y1270 HydrophobicContact CB-CE2 4.43Å; L1148-Y1270 HydrophobicContact CD1-CE2 4.49Å; D1149-Y1270 PolarHBondContact OD1-OH 3.37Å; D1149-Y1270 PolarHBondContact OD2-OH 2.83Å; L1265-Y1270 HydrophobicContact CB-CG 4.26Å; L1265-Y1270 WeakPolarHBondContact O-CB 3.36Å; L1265-Y1270 PolarHBondContact O-N 3.48Å; E1266-Y1270 WeakPolarHBondContact CA-O 3.49Å; L1268-Y1270 HydrophobicContact CB-CD2 4.49Å; Y1270-R1274 HydrophobicContact CD1-CB 4.48Å; Y1270-R1274 HydrophobicContact CD1-CG 3.89Å | ||
| 1271 | S | 91.2 | Very high | 92.4 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | trans | -65.9 | 149.6 | 173.3 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | A1273 R1274 A1275 | S1271-A1273 PolarHBondContact O-N 2.88Å; S1271-A1273 VanDerWaalsContact O-N 3.1Å; S1271-R1274 CarbonylContact O-C 3.56Å; S1271-R1274 WeakPolarHBondContact O-CA 3.48Å; S1271-R1274 PolarHBondContact O-N 3.26Å; S1271-A1275 PolarHBondContact O-N 3.38Å | ||
| 1272 | P | 90.9 | Very high | 92.3 | Very high | 89 Ų | 89 | 61.6 Ų | 61.6 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -53.6 | -37.9 | -175.7 | -30.7 | 36.4 | 0 | 0 | 0 | 114.1 | E1266 A1275 S1276 | E1266-P1272 WeakPolarHBondContact OE1-CA 3.4Å; E1266-P1272 WeakPolarHBondContact OE1-CB 3.3Å; P1272-A1275 PolarHBondContact O-N 3.24Å; P1272-S1276 WeakPolarHBondContact O-CB 3.29Å; P1272-S1276 PolarHBondContact O-N 2.99Å |
| 1273 | A | 92.7 | Very high | 92.3 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 60% | 0.595 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.3 | -49.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1271 S1276 S1277 | S1271-A1273 PolarHBondContact O-N 2.88Å; S1271-A1273 VanDerWaalsContact O-N 3.1Å; A1273-S1276 PolarHBondContact O-N 2.95Å; A1273-S1276 PolarHBondContact O-OG 2.95Å; A1273-S1277 PolarHBondContact O-N 3.18Å; A1273-S1277 VanDerWaalsContact O-N 3.17Å; A1273-S1277 PolarHBondContact O-OG 2.86Å |
| 1274 | R | 91.3 | Very high | 92.4 | Very high | 113 Ų | 113 | 51.1 Ų | 51.1 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 178.3 | -164.8 | -174.9 | -179.3 | 118.9 | -8.3 | 111.8 | D1149 Y1270 S1271 S1276 S1277 T1278 | D1149-R1274 IonicContact OD2-CZ 3.17Å; D1149-R1274 IonicContact OD2-NE 2.67Å; D1149-R1274 IonicContact OD2-NH2 2.65Å; D1149-R1274 PolarHBondContact OD2-NH2 3.08Å; Y1270-R1274 HydrophobicContact CD1-CB 4.48Å; Y1270-R1274 HydrophobicContact CD1-CG 3.89Å; S1271-R1274 CarbonylContact O-C 3.56Å; S1271-R1274 WeakPolarHBondContact O-CA 3.48Å; S1271-R1274 PolarHBondContact O-N 3.26Å; R1274-S1276 VanDerWaalsContact C-N 3.34Å; R1274-S1277 PolarHBondContact O-N 3.2Å; R1274-S1277 PolarHBondContact O-OG 3.18Å; R1274-S1277 VanDerWaalsContact O-OG 3.14Å; R1274-T1278 WeakPolarHBondContact O-CB 3.42Å; R1274-T1278 PolarHBondContact O-N 3.36Å; R1274-T1278 VanDerWaalsContact O-N 3.08Å; R1274-T1278 PolarHBondContact O-OG1 3.16Å |
| 1275 | A | 91.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1265 E1266 S1271 P1272 S1277 | L1265-A1275 HydrophobicContact CB-CB 3.9Å; L1265-A1275 HydrophobicContact CD1-CB 4.31Å; E1266-A1275 HydrophobicContact CG-CB 3.89Å; S1271-A1275 PolarHBondContact O-N 3.38Å; P1272-A1275 PolarHBondContact O-N 3.24Å; A1275-S1277 VanDerWaalsContact C-N 3.32Å; A1275-S1277 PolarHBondContact O-N 3.3Å |
| 1276 | S | 90.2 | Very high | 92.5 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 60% | 0.601 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.8 | -27.5 | 175.3 | 78 | 0 | 0 | 0 | 0 | 114 | P1272 A1273 R1274 | P1272-S1276 WeakPolarHBondContact O-CB 3.29Å; P1272-S1276 PolarHBondContact O-N 2.99Å; A1273-S1276 PolarHBondContact O-N 2.95Å; A1273-S1276 PolarHBondContact O-OG 2.95Å; R1274-S1276 VanDerWaalsContact C-N 3.34Å |
| 1277 | S | 92.5 | Very high | 92.6 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -95.6 | -4.2 | -179.3 | 71.8 | 0 | 0 | 0 | 0 | 114.7 | A1273 R1274 A1275 | A1273-S1277 PolarHBondContact O-N 3.18Å; A1273-S1277 VanDerWaalsContact O-N 3.17Å; A1273-S1277 PolarHBondContact O-OG 2.86Å; R1274-S1277 PolarHBondContact O-N 3.2Å; R1274-S1277 PolarHBondContact O-OG 3.18Å; R1274-S1277 VanDerWaalsContact O-OG 3.14Å; A1275-S1277 VanDerWaalsContact C-N 3.32Å; A1275-S1277 PolarHBondContact O-N 3.3Å |
| 1278 | T | 92.8 | Very high | 92.8 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | trans | -92.4 | 116.8 | -176.1 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | L1265 R1274 Y1282 F1283 | L1265-T1278 HydrophobicContact CD1-CG2 3.86Å; R1274-T1278 WeakPolarHBondContact O-CB 3.42Å; R1274-T1278 PolarHBondContact O-N 3.36Å; R1274-T1278 VanDerWaalsContact O-N 3.08Å; R1274-T1278 PolarHBondContact O-OG1 3.16Å; T1278-Y1282 HydrophobicContact CG2-CD1 4.49Å; T1278-F1283 HydrophobicContact CG2-CB 4.09Å | ||
| 1279 | S | 92.5 | Very high | 93 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | trans | -73.9 | 144.9 | 177.1 | 73 | 0 | 0 | 0 | 0 | 111.9 | G1281 Y1282 F1283 | S1279-G1281 VanDerWaalsContact C-N 3.3Å; S1279-G1281 PolarHBondContact O-N 3.18Å; S1279-Y1282 PolarHBondContact O-N 3.49Å; S1279-Y1282 WeakPolarHBondContact OG-CB 3.41Å; S1279-Y1282 PolarHBondContact OG-N 2.84Å; S1279-F1283 PolarHBondContact O-N 3.38Å | ||
| 1280 | V | 95 | Very high | 93.4 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.5 | -46.3 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | L1111 W1199 F1261 Y1282 F1283 C1284 | L1111-V1280 HydrophobicContact CD1-CG1 3.58Å; L1111-V1280 HydrophobicContact CD2-CG1 4.09Å; L1111-V1280 HydrophobicContact CD2-CG2 4.09Å; L1111-V1280 HydrophobicContact CG-CG1 4.43Å; W1199-V1280 HydrophobicContact CD2-CB 3.73Å; W1199-V1280 HydrophobicContact CD2-CG1 3.8Å; W1199-V1280 HydrophobicContact CD2-CG2 4.31Å; W1199-V1280 VanDerWaalsContact CE2-CG1 3.49Å; W1199-V1280 HydrophobicContact CE3-CB 4.22Å; W1199-V1280 HydrophobicContact CE3-CG1 4.33Å; W1199-V1280 HydrophobicContact CE3-CG2 4.31Å; W1199-V1280 HydrophobicContact CG-CB 3.83Å; W1199-V1280 HydrophobicContact CG-CG1 4.26Å; W1199-V1280 HydrophobicContact CH2-CG1 4.39Å; W1199-V1280 HydrophobicContact CZ2-CG1 3.83Å; F1261-V1280 HydrophobicContact CD1-CG2 3.71Å; F1261-V1280 HydrophobicContact CD2-CG2 4.36Å; F1261-V1280 HydrophobicContact CE1-CB 4.37Å; F1261-V1280 HydrophobicContact CE1-CG2 3.69Å; F1261-V1280 HydrophobicContact CE2-CG1 4.41Å; F1261-V1280 HydrophobicContact CE2-CG2 4.35Å; F1261-V1280 HydrophobicContact CG-CG2 4.06Å; F1261-V1280 HydrophobicContact CZ-CB 4.29Å; F1261-V1280 HydrophobicContact CZ-CG2 4.03Å; V1280-Y1282 PolarHBondContact O-N 3.48Å; V1280-F1283 PolarHBondContact O-N 3.08Å; V1280-C1284 WeakPolarHBondContact O-CB 3.49Å; V1280-C1284 PolarHBondContact O-N 3.06Å; V1280-C1284 PolarHBondContact O-SG 3.04Å; V1280-C1284 VanDerWaalsContact O-SG 3.36Å |
| 1281 | G | 93.7 | Very high | 93.6 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -41 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1279 R1285 | S1279-G1281 VanDerWaalsContact C-N 3.3Å; S1279-G1281 PolarHBondContact O-N 3.18Å; G1281-R1285 WeakPolarHBondContact O-CB 3.36Å; G1281-R1285 PolarHBondContact O-N 2.88Å |
| 1282 | Y | 93.2 | Very high | 93.9 | Very high | 113 Ų | 113 | 45.8 Ų | 45.8 | 44% | 0.443 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 177.5 | 177.2 | -98.5 | 0 | 0 | 0 | 111.8 | T1278 S1279 V1280 R1285 I1286 | T1278-Y1282 HydrophobicContact CG2-CD1 4.49Å; S1279-Y1282 PolarHBondContact O-N 3.49Å; S1279-Y1282 WeakPolarHBondContact OG-CB 3.41Å; S1279-Y1282 PolarHBondContact OG-N 2.84Å; V1280-Y1282 PolarHBondContact O-N 3.48Å; Y1282-R1285 PolarHBondContact O-N 3.48Å; Y1282-I1286 HydrophobicContact CD1-CD1 4.06Å; Y1282-I1286 HydrophobicContact CE1-CD1 3.49Å; Y1282-I1286 VanDerWaalsContact CE1-CD1 3.49Å; Y1282-I1286 HydrophobicContact CE2-CD1 4.26Å; Y1282-I1286 PolarHBondContact O-N 2.81Å |
| 1283 | F | 95.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.4 | -49.1 | 179.8 | 177 | -99.3 | 0 | 0 | 0 | 112.4 | L1118 L1148 F1261 L1265 L1268 T1278 S1279 V1280 R1285 I1286 L1287 | L1118-F1283 HydrophobicContact CD2-CE1 3.73Å; L1118-F1283 HydrophobicContact CD2-CZ 3.83Å; L1148-F1283 HydrophobicContact CD2-CE2 4.09Å; L1148-F1283 HydrophobicContact CD2-CZ 4.29Å; F1261-F1283 AromaticContact CE2-CD1 3.68Å; F1261-F1283 HydrophobicContact CE2-CD1 3.68Å; F1261-F1283 HydrophobicContact CE2-CE1 4.2Å; F1261-F1283 HydrophobicContact CE2-CG 4.32Å; F1261-F1283 HydrophobicContact CZ-CB 4Å; F1261-F1283 AromaticContact CZ-CD1 3.93Å; F1261-F1283 HydrophobicContact CZ-CD1 3.93Å; F1261-F1283 HydrophobicContact CZ-CG 4.09Å; L1265-F1283 HydrophobicContact CD2-CD1 4.18Å; L1265-F1283 HydrophobicContact CD2-CD2 3.48Å; L1265-F1283 VanDerWaalsContact CD2-CD2 3.48Å; L1265-F1283 HydrophobicContact CD2-CE1 4.16Å; L1265-F1283 HydrophobicContact CD2-CE2 3.46Å; L1265-F1283 VanDerWaalsContact CD2-CE2 3.46Å; L1265-F1283 HydrophobicContact CD2-CG 3.84Å; L1265-F1283 HydrophobicContact CD2-CZ 3.82Å; L1268-F1283 HydrophobicContact CD1-CE2 4.21Å; L1268-F1283 HydrophobicContact CD1-CZ 3.62Å; T1278-F1283 HydrophobicContact CG2-CB 4.09Å; S1279-F1283 PolarHBondContact O-N 3.38Å; V1280-F1283 PolarHBondContact O-N 3.08Å; F1283-R1285 VanDerWaalsContact C-N 3.27Å; F1283-R1285 PolarHBondContact O-N 2.79Å; F1283-I1286 PolarHBondContact O-N 2.76Å; F1283-L1287 HydrophobicContact CD1-CD1 4.34Å; F1283-L1287 HydrophobicContact CE1-CD1 3.6Å; F1283-L1287 HydrophobicContact CE2-CD1 4.02Å; F1283-L1287 HydrophobicContact CZ-CD1 3.4Å; F1283-L1287 VanDerWaalsContact CZ-CD1 3.4Å; F1283-L1287 PolarHBondContact O-N 3.01Å |
| 1284 | C | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -32.2 | 177.8 | -67.7 | 0 | 0 | 0 | 0 | 112 | L1191 C1194 H1195 V1280 A1288 | L1191-C1284 HydrophobicContact CD2-CB 4.48Å; L1191-C1284 WeakPolarHBondContact CD2-O 3.43Å; L1191-C1284 HydrophobicContact CG-CB 4.21Å; C1194-C1284 HydrophobicContact CB-CB 4.14Å; H1195-C1284 HydrophobicContact CB-CB 4.25Å; V1280-C1284 WeakPolarHBondContact O-CB 3.49Å; V1280-C1284 PolarHBondContact O-N 3.06Å; V1280-C1284 PolarHBondContact O-SG 3.04Å; V1280-C1284 VanDerWaalsContact O-SG 3.36Å; C1284-A1288 WeakPolarHBondContact O-CB 3.4Å; C1284-A1288 PolarHBondContact O-N 3.27Å |
| 1285 | R | 94.6 | Very high | 94.5 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 32% | 0.317 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -51.8 | 173.8 | -176.9 | -177.4 | 72.9 | 76.6 | 17 | 112 | G1281 Y1282 F1283 L1287 A1288 E1289 | G1281-R1285 WeakPolarHBondContact O-CB 3.36Å; G1281-R1285 PolarHBondContact O-N 2.88Å; Y1282-R1285 PolarHBondContact O-N 3.48Å; F1283-R1285 VanDerWaalsContact C-N 3.27Å; F1283-R1285 PolarHBondContact O-N 2.79Å; R1285-L1287 VanDerWaalsContact C-N 3.3Å; R1285-L1287 PolarHBondContact O-N 3.39Å; R1285-A1288 PolarHBondContact O-N 3.06Å; R1285-E1289 VanDerWaalsContact CD-OE1 3.31Å; R1285-E1289 WeakPolarHBondContact CD-OE1 3.47Å; R1285-E1289 VanDerWaalsContact CG-CD 3.5Å; R1285-E1289 HydrophobicContact CG-CG 4.19Å; R1285-E1289 WeakPolarHBondContact CG-OE1 3.23Å; R1285-E1289 IonicContact CZ-OE1 2.76Å; R1285-E1289 IonicContact CZ-OE2 2.88Å; R1285-E1289 IonicContact NE-OE1 3.72Å; R1285-E1289 IonicContact NH1-OE1 3Å; R1285-E1289 PolarHBondContact NH1-OE1 3.47Å; R1285-E1289 IonicContact NH1-OE2 3.24Å; R1285-E1289 PolarHBondContact NH1-OE2 2.84Å; R1285-E1289 WeakPolarHBondContact O-CB 3.47Å; R1285-E1289 WeakPolarHBondContact O-CG 3.48Å; R1285-E1289 PolarHBondContact O-N 2.94Å |
| 1286 | I | 95 | Very high | 94.7 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | -178 | -66.4 | 172.3 | 0 | 0 | 0 | 111 | D1149 Y1282 F1283 F1290 | D1149-I1286 HydrophobicContact CB-CD1 4.49Å; Y1282-I1286 HydrophobicContact CD1-CD1 4.06Å; Y1282-I1286 HydrophobicContact CE1-CD1 3.49Å; Y1282-I1286 VanDerWaalsContact CE1-CD1 3.49Å; Y1282-I1286 HydrophobicContact CE2-CD1 4.26Å; Y1282-I1286 PolarHBondContact O-N 2.81Å; F1283-I1286 PolarHBondContact O-N 2.76Å; I1286-F1290 WeakPolarHBondContact O-CB 3.34Å; I1286-F1290 PolarHBondContact O-N 2.67Å |
| 1287 | L | 95.6 | Very high | 95 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72 | -35.2 | 179.2 | -81.8 | 168.4 | 0 | 0 | 0 | 113.1 | L1118 L1124 L1148 L1151 L1191 F1283 R1285 A1291 | L1118-L1287 HydrophobicContact CD1-CD1 3.79Å; L1118-L1287 HydrophobicContact CD2-CD1 4.17Å; L1124-L1287 HydrophobicContact CD1-CD2 4.41Å; L1148-L1287 HydrophobicContact CD2-CD1 4.26Å; L1148-L1287 HydrophobicContact CD2-CD2 4.34Å; L1151-L1287 HydrophobicContact CD1-CD2 3.76Å; L1191-L1287 HydrophobicContact CD1-CB 3.98Å; L1191-L1287 HydrophobicContact CD1-CD1 3.85Å; L1191-L1287 HydrophobicContact CD2-CB 3.67Å; L1191-L1287 HydrophobicContact CG-CB 4.48Å; F1283-L1287 HydrophobicContact CD1-CD1 4.34Å; F1283-L1287 HydrophobicContact CE1-CD1 3.6Å; F1283-L1287 HydrophobicContact CE2-CD1 4.02Å; F1283-L1287 HydrophobicContact CZ-CD1 3.4Å; F1283-L1287 VanDerWaalsContact CZ-CD1 3.4Å; F1283-L1287 PolarHBondContact O-N 3.01Å; R1285-L1287 VanDerWaalsContact C-N 3.3Å; R1285-L1287 PolarHBondContact O-N 3.39Å; L1287-A1291 WeakPolarHBondContact O-CB 3.27Å; L1287-A1291 PolarHBondContact O-N 2.9Å |
| 1288 | A | 95.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 7% | 0.066 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.2 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1191 H1195 C1284 R1285 A1291 L1292 | L1191-A1288 HydrophobicContact CD2-CB 4.06Å; H1195-A1288 HydrophobicContact CB-CB 4.18Å; C1284-A1288 WeakPolarHBondContact O-CB 3.4Å; C1284-A1288 PolarHBondContact O-N 3.27Å; R1285-A1288 PolarHBondContact O-N 3.06Å; A1288-A1291 PolarHBondContact O-N 2.97Å; A1288-L1292 PolarHBondContact O-N 2.93Å; A1288-L1292 VanDerWaalsContact O-N 3.12Å |
| 1289 | E | 95.3 | Very high | 95.2 | Very high | 79 Ų | 79 | 40.8 Ų | 40.8 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.7 | -51.1 | 173.8 | -72.5 | 169.9 | 177.2 | 0 | 0 | 110.2 | R1285 A1291 L1292 E1293 | R1285-E1289 VanDerWaalsContact CD-OE1 3.31Å; R1285-E1289 WeakPolarHBondContact CD-OE1 3.47Å; R1285-E1289 VanDerWaalsContact CG-CD 3.5Å; R1285-E1289 HydrophobicContact CG-CG 4.19Å; R1285-E1289 WeakPolarHBondContact CG-OE1 3.23Å; R1285-E1289 IonicContact CZ-OE1 2.76Å; R1285-E1289 IonicContact CZ-OE2 2.88Å; R1285-E1289 IonicContact NE-OE1 3.72Å; R1285-E1289 IonicContact NH1-OE1 3Å; R1285-E1289 PolarHBondContact NH1-OE1 3.47Å; R1285-E1289 IonicContact NH1-OE2 3.24Å; R1285-E1289 PolarHBondContact NH1-OE2 2.84Å; R1285-E1289 WeakPolarHBondContact O-CB 3.47Å; R1285-E1289 WeakPolarHBondContact O-CG 3.48Å; R1285-E1289 PolarHBondContact O-N 2.94Å; E1289-A1291 PolarHBondContact O-N 3.44Å; E1289-L1292 PolarHBondContact O-N 2.71Å; E1289-E1293 PolarHBondContact O-N 3.35Å |
| 1290 | F | 96.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 176.6 | 175.8 | -106.2 | 0 | 0 | 0 | 113.1 | I1127 L1151 L1154 L1167 L1184 I1286 L1292 E1293 Y1294 | I1127-F1290 HydrophobicContact CD1-CE1 4.2Å; I1127-F1290 HydrophobicContact CD1-CZ 4.35Å; I1127-F1290 HydrophobicContact CG2-CE1 4.08Å; I1127-F1290 HydrophobicContact CG2-CZ 3.77Å; L1151-F1290 HydrophobicContact CB-CB 4.22Å; L1151-F1290 HydrophobicContact CB-CD1 4.38Å; L1151-F1290 HydrophobicContact CB-CD2 3.96Å; L1151-F1290 HydrophobicContact CB-CG 3.89Å; L1151-F1290 HydrophobicContact CD1-CD1 4.05Å; L1151-F1290 HydrophobicContact CD1-CE1 4.44Å; L1151-F1290 HydrophobicContact CD1-CG 4.37Å; L1151-F1290 HydrophobicContact CD2-CE1 4.32Å; L1151-F1290 HydrophobicContact CD2-CE2 4.43Å; L1151-F1290 HydrophobicContact CD2-CZ 4.28Å; L1154-F1290 HydrophobicContact CD1-CD2 4.18Å; L1154-F1290 HydrophobicContact CD1-CE2 3.51Å; L1154-F1290 HydrophobicContact CD1-CZ 4.14Å; L1167-F1290 HydrophobicContact CD1-CE2 3.7Å; L1167-F1290 HydrophobicContact CD1-CZ 4.16Å; L1184-F1290 HydrophobicContact CD2-CD1 3.86Å; L1184-F1290 HydrophobicContact CD2-CE1 3.77Å; I1286-F1290 WeakPolarHBondContact O-CB 3.34Å; I1286-F1290 PolarHBondContact O-N 2.67Å; F1290-L1292 VanDerWaalsContact C-N 3.33Å; F1290-L1292 PolarHBondContact O-N 2.88Å; F1290-E1293 PolarHBondContact O-N 2.81Å; F1290-Y1294 WeakPolarHBondContact O-CB 3.46Å; F1290-Y1294 PolarHBondContact O-N 3.16Å |
| 1291 | A | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1184 H1185 L1287 A1288 E1289 R1295 | L1184-A1291 HydrophobicContact CB-CB 3.99Å; L1184-A1291 HydrophobicContact CD2-CB 4.03Å; L1184-A1291 HydrophobicContact CG-CB 4.24Å; H1185-A1291 HydrophobicContact CB-CB 4.24Å; L1287-A1291 WeakPolarHBondContact O-CB 3.27Å; L1287-A1291 PolarHBondContact O-N 2.9Å; A1288-A1291 PolarHBondContact O-N 2.97Å; E1289-A1291 PolarHBondContact O-N 3.44Å; A1291-R1295 WeakPolarHBondContact O-CB 3.44Å; A1291-R1295 PolarHBondContact O-N 3.42Å |
| 1292 | L | 95.7 | Very high | 95.1 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 45% | 0.45 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.6 | -42.8 | 176 | -175.2 | 60.3 | 0 | 0 | 0 | 112 | A1288 E1289 F1290 R1295 T1296 | A1288-L1292 PolarHBondContact O-N 2.93Å; A1288-L1292 VanDerWaalsContact O-N 3.12Å; E1289-L1292 PolarHBondContact O-N 2.71Å; F1290-L1292 VanDerWaalsContact C-N 3.33Å; F1290-L1292 PolarHBondContact O-N 2.88Å; L1292-R1295 PolarHBondContact O-N 3.39Å; L1292-T1296 WeakPolarHBondContact O-CG2 3.49Å; L1292-T1296 PolarHBondContact O-N 3.37Å; L1292-T1296 PolarHBondContact O-OG1 3.43Å |
| 1293 | E | 95.7 | Very high | 95 | Very high | 86 Ų | 86 | 45 Ų | 45 | 40% | 0.402 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.1 | -40.2 | 176 | -71.7 | -145.4 | -126.6 | 0 | 0 | 112.4 | P1155 L1167 E1289 F1290 T1296 T1297 | P1155-E1293 VanDerWaalsContact CB-OE2 3.25Å; P1155-E1293 WeakPolarHBondContact CB-OE2 3.42Å; P1155-E1293 VanDerWaalsContact CG-CD 3.42Å; P1155-E1293 WeakPolarHBondContact CG-OE1 3.32Å; P1155-E1293 WeakPolarHBondContact CG-OE2 3.36Å; L1167-E1293 HydrophobicContact CD2-CB 3.81Å; E1289-E1293 PolarHBondContact O-N 3.35Å; F1290-E1293 PolarHBondContact O-N 2.81Å; E1293-T1296 PolarHBondContact O-OG1 2.94Å; E1293-T1297 VanDerWaalsContact O-CB 3.27Å; E1293-T1297 WeakPolarHBondContact O-CB 3.18Å; E1293-T1297 PolarHBondContact O-N 3.19Å; E1293-T1297 PolarHBondContact O-OG1 2.85Å |
| 1294 | Y | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 172.8 | 177.6 | -96.5 | 0 | 0 | 0 | 111 | T1123 I1127 L1167 C1171 V1174 L1184 F1290 T1297 R1298 | T1123-Y1294 HydrophobicContact CG2-CE1 3.99Å; I1127-Y1294 HydrophobicContact CD1-CD1 4.15Å; I1127-Y1294 HydrophobicContact CD1-CD2 3.64Å; I1127-Y1294 HydrophobicContact CD1-CE1 4.03Å; I1127-Y1294 HydrophobicContact CD1-CE2 3.51Å; I1127-Y1294 HydrophobicContact CD1-CG 3.96Å; I1127-Y1294 HydrophobicContact CG1-CD2 4.27Å; I1127-Y1294 HydrophobicContact CG1-CE2 3.81Å; L1167-Y1294 HydrophobicContact CD1-CD2 4.01Å; C1171-Y1294 HydrophobicContact CB-CD2 4.27Å; C1171-Y1294 HydrophobicContact CB-CE2 3.86Å; C1171-Y1294 VanDerWaalsContact SG-CE2 3.58Å; V1174-Y1294 WeakPolarHBondContact CG1-OH 3.45Å; L1184-Y1294 HydrophobicContact CB-CD1 3.85Å; L1184-Y1294 HydrophobicContact CB-CE1 4.48Å; F1290-Y1294 WeakPolarHBondContact O-CB 3.46Å; F1290-Y1294 PolarHBondContact O-N 3.16Å; Y1294-T1297 PolarHBondContact O-N 3.35Å; Y1294-R1298 WeakPolarHBondContact O-CB 3.22Å; Y1294-R1298 PolarHBondContact O-N 3.03Å |
| 1295 | R | 96.1 | Very high | 94 | Very high | 86 Ų | 86 | 51 Ų | 51 | 33% | 0.325 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.7 | -55.2 | 177.1 | 175 | -178.6 | 166.1 | 175.1 | 0.5 | 111.6 | D1183 H1185 A1291 L1292 T1297 R1298 E1299 | D1183-R1295 HydrophobicContact CB-CB 4.34Å; D1183-R1295 HydrophobicContact CB-CG 4.11Å; H1185-R1295 HydrophobicContact CB-CB 4.22Å; A1291-R1295 WeakPolarHBondContact O-CB 3.44Å; A1291-R1295 PolarHBondContact O-N 3.42Å; L1292-R1295 PolarHBondContact O-N 3.39Å; R1295-T1297 PolarHBondContact O-N 3.18Å; R1295-R1298 WeakPolarHBondContact O-CB 3.35Å; R1295-R1298 PolarHBondContact O-N 3.4Å; R1295-R1298 VanDerWaalsContact O-N 3.11Å; R1295-E1299 HydrophobicContact CG-CG 4.44Å; R1295-E1299 IonicContact CZ-OE1 3.62Å; R1295-E1299 IonicContact NE-OE1 3.51Å; R1295-E1299 PolarHBondContact NE-OE1 3.41Å; R1295-E1299 IonicContact NE-OE2 3.28Å; R1295-E1299 IonicContact NH2-OE1 2.79Å; R1295-E1299 PolarHBondContact NH2-OE1 3.26Å; R1295-E1299 WeakPolarHBondContact O-CG 3.3Å; R1295-E1299 PolarHBondContact O-N 2.96Å |
| 1296 | T | 96.1 | Very high | 93.2 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.4 | -22.2 | -177.2 | 58 | 0 | 0 | 0 | 0 | 113 | L1292 E1293 K1300 | L1292-T1296 WeakPolarHBondContact O-CG2 3.49Å; L1292-T1296 PolarHBondContact O-N 3.37Å; L1292-T1296 PolarHBondContact O-OG1 3.43Å; E1293-T1296 PolarHBondContact O-OG1 2.94Å; T1296-K1300 VanDerWaalsContact O-CD 3.26Å; T1296-K1300 WeakPolarHBondContact O-CD 3.5Å; T1296-K1300 WeakPolarHBondContact O-CE 3.44Å; T1296-K1300 VanDerWaalsContact O-CG 3.22Å; T1296-K1300 WeakPolarHBondContact O-CG 3.46Å |
| 1297 | T | 96.2 | Very high | 92.3 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.4 | -43.5 | 170.3 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | L1167 H1168 C1171 E1293 Y1294 R1295 K1300 I1301 | L1167-T1297 HydrophobicContact CG-CG2 4.31Å; H1168-T1297 HydrophobicContact CB-CG2 4.11Å; C1171-T1297 HydrophobicContact CB-CG2 4.14Å; E1293-T1297 VanDerWaalsContact O-CB 3.27Å; E1293-T1297 WeakPolarHBondContact O-CB 3.18Å; E1293-T1297 PolarHBondContact O-N 3.19Å; E1293-T1297 PolarHBondContact O-OG1 2.85Å; Y1294-T1297 PolarHBondContact O-N 3.35Å; R1295-T1297 PolarHBondContact O-N 3.18Å; T1297-K1300 PolarHBondContact O-N 3.46Å; T1297-I1301 HydrophobicContact CG2-CD1 3.97Å; T1297-I1301 WeakPolarHBondContact O-CG1 3.25Å; T1297-I1301 PolarHBondContact O-N 2.98Å |
| 1298 | R | 95.4 | Very high | 91.3 | Very high | 52 Ų | 52 | 64.6 Ų | 64.6 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 176.8 | -171.3 | -176.8 | 176.8 | -78.5 | 2 | 111.7 | C1171 L1175 S1181 T1182 Y1294 R1295 K1300 I1301 I1302 | C1171-R1298 WeakPolarHBondContact SG-CA 3.41Å; C1171-R1298 VanDerWaalsContact SG-CB 3.55Å; L1175-R1298 HydrophobicContact CD1-CG 4.19Å; L1175-R1298 HydrophobicContact CD2-CG 4.06Å; L1175-R1298 HydrophobicContact CG-CG 4.42Å; S1181-R1298 PolarHBondContact O-NE 3.18Å; S1181-R1298 PolarHBondContact O-NH2 2.93Å; T1182-R1298 PolarHBondContact O-NE 3.3Å; Y1294-R1298 WeakPolarHBondContact O-CB 3.22Å; Y1294-R1298 PolarHBondContact O-N 3.03Å; R1295-R1298 WeakPolarHBondContact O-CB 3.35Å; R1295-R1298 PolarHBondContact O-N 3.4Å; R1295-R1298 VanDerWaalsContact O-N 3.11Å; R1298-K1300 PolarHBondContact O-N 3.29Å; R1298-I1301 PolarHBondContact O-N 3.41Å; R1298-I1302 HydrophobicContact CG-CD1 4.05Å; R1298-I1302 VanDerWaalsContact NH1-CD1 3.33Å; R1298-I1302 WeakPolarHBondContact O-CG1 3.45Å; R1298-I1302 PolarHBondContact O-N 2.85Å |
| 1299 | E | 95 | Very high | 90 | Very high | 81 Ų | 81 | 66.9 Ų | 66.9 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.8 | -47 | 177.7 | -71.5 | 168.8 | 156 | 0 | 0 | 111.4 | R1295 I1301 I1302 E1303 | R1295-E1299 HydrophobicContact CG-CG 4.44Å; R1295-E1299 IonicContact CZ-OE1 3.62Å; R1295-E1299 IonicContact NE-OE1 3.51Å; R1295-E1299 PolarHBondContact NE-OE1 3.41Å; R1295-E1299 IonicContact NE-OE2 3.28Å; R1295-E1299 IonicContact NH2-OE1 2.79Å; R1295-E1299 PolarHBondContact NH2-OE1 3.26Å; R1295-E1299 WeakPolarHBondContact O-CG 3.3Å; R1295-E1299 PolarHBondContact O-N 2.96Å; E1299-I1301 PolarHBondContact O-N 3.12Å; E1299-I1302 PolarHBondContact O-N 2.82Å; E1299-E1303 WeakPolarHBondContact O-CB 3.39Å; E1299-E1303 PolarHBondContact O-N 2.94Å |
| 1300 | K | 93.8 | Very high | 88.6 | Confident | 138 Ų | 138 | 67.8 Ų | 67.8 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.3 | -34.7 | 177.3 | -70.5 | 169.1 | -165.1 | 169.5 | 0 | 113.6 | T1296 T1297 R1298 G1304 | T1296-K1300 VanDerWaalsContact O-CD 3.26Å; T1296-K1300 WeakPolarHBondContact O-CD 3.5Å; T1296-K1300 WeakPolarHBondContact O-CE 3.44Å; T1296-K1300 VanDerWaalsContact O-CG 3.22Å; T1296-K1300 WeakPolarHBondContact O-CG 3.46Å; T1297-K1300 PolarHBondContact O-N 3.46Å; R1298-K1300 PolarHBondContact O-N 3.29Å; K1300-G1304 PolarHBondContact O-N 3.34Å |
| 1301 | I | 93.8 | Very high | 87.2 | Confident | 11 Ų | 11 | 70 Ų | 70 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.4 | -42.2 | 176.6 | -69.6 | 166.4 | 0 | 0 | 0 | 110.5 | H1168 C1171 L1175 T1297 R1298 E1299 R1305 | H1168-I1301 WeakPolarHBondContact O-CD1 2.94Å; C1171-I1301 HydrophobicContact CB-CD1 3.79Å; L1175-I1301 HydrophobicContact CD1-CB 4.13Å; L1175-I1301 HydrophobicContact CD1-CG2 3.67Å; T1297-I1301 HydrophobicContact CG2-CD1 3.97Å; T1297-I1301 WeakPolarHBondContact O-CG1 3.25Å; T1297-I1301 PolarHBondContact O-N 2.98Å; R1298-I1301 PolarHBondContact O-N 3.41Å; E1299-I1301 PolarHBondContact O-N 3.12Å; I1301-R1305 WeakPolarHBondContact O-CB 3.29Å; I1301-R1305 VanDerWaalsContact O-CG 3.23Å; I1301-R1305 WeakPolarHBondContact O-CG 3.34Å; I1301-R1305 PolarHBondContact O-N 3.11Å |
| 1302 | I | 91.6 | Very high | 85.7 | Confident | 48 Ų | 48 | 78.4 Ų | 78.4 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.3 | -53.5 | 177.6 | -67.4 | 168.2 | 0 | 0 | 0 | 110.1 | L1175 R1298 E1299 G1304 R1305 E1306 | L1175-I1302 HydrophobicContact CD1-CG1 4.12Å; L1175-I1302 HydrophobicContact CD2-CD1 4.23Å; L1175-I1302 HydrophobicContact CD2-CG1 4.47Å; R1298-I1302 HydrophobicContact CG-CD1 4.05Å; R1298-I1302 VanDerWaalsContact NH1-CD1 3.33Å; R1298-I1302 WeakPolarHBondContact O-CG1 3.45Å; R1298-I1302 PolarHBondContact O-N 2.85Å; E1299-I1302 PolarHBondContact O-N 2.82Å; I1302-G1304 VanDerWaalsContact C-N 3.26Å; I1302-G1304 PolarHBondContact O-N 2.96Å; I1302-R1305 WeakPolarHBondContact O-CA 3.43Å; I1302-R1305 WeakPolarHBondContact O-CB 3.5Å; I1302-R1305 PolarHBondContact O-N 3.27Å; I1302-E1306 HydrophobicContact CG2-CG 4.35Å; I1302-E1306 WeakPolarHBondContact CG2-OE1 3.23Å; I1302-E1306 WeakPolarHBondContact O-CG 3.38Å; I1302-E1306 PolarHBondContact O-N 3.3Å |
| 1303 | E | 89.2 | Confident | 84.1 | Confident | 93 Ų | 93 | 78 Ų | 78 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58 | -38.8 | 178 | -169.8 | -164.3 | -162.9 | 0 | 0 | 111.8 | E1299 E1306 K1307 | E1299-E1303 WeakPolarHBondContact O-CB 3.39Å; E1299-E1303 PolarHBondContact O-N 2.94Å; E1303-E1306 PolarHBondContact O-N 2.58Å; E1303-K1307 HydrophobicContact CG-CD 4.2Å; E1303-K1307 WeakPolarHBondContact O-CB 3.25Å; E1303-K1307 VanDerWaalsContact O-CG 3.32Å; E1303-K1307 WeakPolarHBondContact O-CG 2.97Å; E1303-K1307 PolarHBondContact O-N 3.34Å; E1303-K1307 VanDerWaalsContact OE1-CE 3.27Å; E1303-K1307 WeakPolarHBondContact OE1-CE 3.46Å; E1303-K1307 IonicContact OE1-NZ 2.68Å; E1303-K1307 PolarHBondContact OE1-NZ 3.43Å; E1303-K1307 IonicContact OE2-NZ 2.66Å |
| 1304 | G | 85 | Confident | 82.5 | Confident | 32 Ų | 32 | 81.2 Ų | 81.2 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.1 | -31.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1300 I1302 K1308 | K1300-G1304 PolarHBondContact O-N 3.34Å; I1302-G1304 VanDerWaalsContact C-N 3.26Å; I1302-G1304 PolarHBondContact O-N 2.96Å; G1304-K1308 WeakPolarHBondContact O-CG 3.45Å; G1304-K1308 PolarHBondContact O-N 3.5Å |
| 1305 | R | 85.2 | Confident | 81 | Confident | 104 Ų | 104 | 85.9 Ų | 85.9 | 39% | 0.392 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.6 | -45.1 | 172.4 | -74.4 | 168.5 | 178.5 | -136.8 | -2.4 | 111 | S1172 D1176 I1301 I1302 K1308 A1309 | S1172-R1305 PolarHBondContact OG-NH2 3.02Å; D1176-R1305 IonicContact OD1-CZ 2.78Å; D1176-R1305 IonicContact OD1-NH1 3.76Å; D1176-R1305 PolarHBondContact OD1-NH1 3.28Å; D1176-R1305 IonicContact OD1-NH2 3.57Å; D1176-R1305 PolarHBondContact OD1-NH2 2.83Å; D1176-R1305 IonicContact OD2-CZ 2.62Å; D1176-R1305 IonicContact OD2-NH2 3.92Å; D1176-R1305 PolarHBondContact OD2-NH2 2.82Å; I1301-R1305 WeakPolarHBondContact O-CB 3.29Å; I1301-R1305 VanDerWaalsContact O-CG 3.23Å; I1301-R1305 WeakPolarHBondContact O-CG 3.34Å; I1301-R1305 PolarHBondContact O-N 3.11Å; I1302-R1305 WeakPolarHBondContact O-CA 3.43Å; I1302-R1305 WeakPolarHBondContact O-CB 3.5Å; I1302-R1305 PolarHBondContact O-N 3.27Å; R1305-K1308 PolarHBondContact O-N 3.02Å; R1305-A1309 WeakPolarHBondContact O-CB 3.26Å; R1305-A1309 PolarHBondContact O-N 2.86Å |
| 1306 | E | 78 | Confident | 79.5 | Confident | 111 Ų | 111 | 86.7 Ų | 86.7 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 177.7 | -72.3 | 171.3 | 173 | 0 | 0 | 111.7 | I1302 E1303 K1308 A1309 L1310 | I1302-E1306 HydrophobicContact CG2-CG 4.35Å; I1302-E1306 WeakPolarHBondContact CG2-OE1 3.23Å; I1302-E1306 WeakPolarHBondContact O-CG 3.38Å; I1302-E1306 PolarHBondContact O-N 3.3Å; E1303-E1306 PolarHBondContact O-N 2.58Å; E1306-K1308 VanDerWaalsContact C-N 3.29Å; E1306-K1308 PolarHBondContact O-N 3.38Å; E1306-A1309 PolarHBondContact O-N 2.84Å; E1306-A1309 VanDerWaalsContact O-N 3.15Å; E1306-L1310 WeakPolarHBondContact O-CB 3.19Å; E1306-L1310 WeakPolarHBondContact O-CG 3.16Å; E1306-L1310 PolarHBondContact O-N 3.15Å |
| 1307 | K | 75.8 | Confident | 78 | Confident | 120 Ų | 120 | 85.4 Ų | 85.4 | 52% | 0.522 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.6 | -38.4 | 175.4 | -74.4 | 172.6 | -176.8 | 169.7 | 0 | 112.4 | E1303 A1311 | E1303-K1307 HydrophobicContact CG-CD 4.2Å; E1303-K1307 WeakPolarHBondContact O-CB 3.25Å; E1303-K1307 VanDerWaalsContact O-CG 3.32Å; E1303-K1307 WeakPolarHBondContact O-CG 2.97Å; E1303-K1307 PolarHBondContact O-N 3.34Å; E1303-K1307 VanDerWaalsContact OE1-CE 3.27Å; E1303-K1307 WeakPolarHBondContact OE1-CE 3.46Å; E1303-K1307 IonicContact OE1-NZ 2.68Å; E1303-K1307 PolarHBondContact OE1-NZ 3.43Å; E1303-K1307 IonicContact OE2-NZ 2.66Å; K1307-A1311 VanDerWaalsContact O-CB 3.24Å; K1307-A1311 WeakPolarHBondContact O-CB 3.2Å; K1307-A1311 PolarHBondContact O-N 2.65Å |
| 1308 | K | 74.4 | Confident | 76.5 | Confident | 152 Ų | 152 | 87.3 Ų | 87.3 | 66% | 0.661 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.7 | -36.3 | 175.1 | -74.6 | -177.7 | 177.9 | -167.7 | 0 | 112.8 | G1304 R1305 E1306 R1312 | G1304-K1308 WeakPolarHBondContact O-CG 3.45Å; G1304-K1308 PolarHBondContact O-N 3.5Å; R1305-K1308 PolarHBondContact O-N 3.02Å; E1306-K1308 VanDerWaalsContact C-N 3.29Å; E1306-K1308 PolarHBondContact O-N 3.38Å; K1308-R1312 WeakPolarHBondContact O-CB 3.36Å; K1308-R1312 VanDerWaalsContact O-CG 3.31Å; K1308-R1312 WeakPolarHBondContact O-CG 3.12Å; K1308-R1312 PolarHBondContact O-N 3.23Å |
| 1309 | A | 68.5 | Low | 74.9 | Confident | 56 Ų | 56 | 85 Ų | 85 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1305 E1306 R1312 E1313 | R1305-A1309 WeakPolarHBondContact O-CB 3.26Å; R1305-A1309 PolarHBondContact O-N 2.86Å; E1306-A1309 PolarHBondContact O-N 2.84Å; E1306-A1309 VanDerWaalsContact O-N 3.15Å; A1309-R1312 PolarHBondContact O-N 3.17Å; A1309-E1313 WeakPolarHBondContact O-CB 3.15Å; A1309-E1313 PolarHBondContact O-N 2.99Å |
| 1310 | L | 65.5 | Low | 73.8 | Confident | 97 Ų | 97 | 84.9 Ų | 84.9 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 175 | -70 | 170.1 | 0 | 0 | 0 | 112.1 | E1306 E1313 R1314 | E1306-L1310 WeakPolarHBondContact O-CB 3.19Å; E1306-L1310 WeakPolarHBondContact O-CG 3.16Å; E1306-L1310 PolarHBondContact O-N 3.15Å; L1310-E1313 PolarHBondContact O-N 3.38Å; L1310-R1314 VanDerWaalsContact O-CB 3.28Å; L1310-R1314 WeakPolarHBondContact O-CB 3.3Å; L1310-R1314 WeakPolarHBondContact O-CD 3.34Å; L1310-R1314 WeakPolarHBondContact O-CG 3.34Å; L1310-R1314 PolarHBondContact O-N 3.49Å |
| 1311 | A | 66.6 | Low | 72.7 | Confident | 50 Ų | 50 | 80.5 Ų | 80.5 | 41% | 0.413 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1307 K1315 | K1307-A1311 VanDerWaalsContact O-CB 3.24Å; K1307-A1311 WeakPolarHBondContact O-CB 3.2Å; K1307-A1311 PolarHBondContact O-N 2.65Å; A1311-K1315 WeakPolarHBondContact O-CG 3.32Å; A1311-K1315 PolarHBondContact O-N 2.65Å |
| 1312 | R | 66 | Low | 71.4 | Confident | 177 Ų | 177 | 81 Ų | 81 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.1 | -46.4 | 174.2 | -78.2 | 172.3 | 169.7 | -177.8 | -7 | 112.2 | K1308 A1309 R1314 K1315 R1316 | K1308-R1312 WeakPolarHBondContact O-CB 3.36Å; K1308-R1312 VanDerWaalsContact O-CG 3.31Å; K1308-R1312 WeakPolarHBondContact O-CG 3.12Å; K1308-R1312 PolarHBondContact O-N 3.23Å; A1309-R1312 PolarHBondContact O-N 3.17Å; R1312-R1314 PolarHBondContact O-N 3.04Å; R1312-K1315 CarbonylContact O-C 3.36Å; R1312-K1315 WeakPolarHBondContact O-CB 3.14Å; R1312-K1315 PolarHBondContact O-N 2.82Å; R1312-R1316 WeakPolarHBondContact O-CB 3.44Å; R1312-R1316 PolarHBondContact O-N 3.38Å |
| 1313 | E | 61.8 | Low | 70 | Confident | 77 Ų | 77 | 81.5 Ų | 81.5 | 36% | 0.36 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | -179.5 | -166.8 | 59 | -159.8 | 0 | 0 | 111.3 | A1309 L1310 K1315 R1316 T1317 | A1309-E1313 WeakPolarHBondContact O-CB 3.15Å; A1309-E1313 PolarHBondContact O-N 2.99Å; L1310-E1313 PolarHBondContact O-N 3.38Å; E1313-K1315 PolarHBondContact O-N 3.46Å; E1313-R1316 VanDerWaalsContact CD-NE 3.28Å; E1313-R1316 CarbonylContact O-C 3.6Å; E1313-R1316 WeakPolarHBondContact O-CA 3.29Å; E1313-R1316 WeakPolarHBondContact O-CB 3.46Å; E1313-R1316 PolarHBondContact O-N 3.47Å; E1313-R1316 IonicContact OE1-CZ 2.66Å; E1313-R1316 VanDerWaalsContact OE1-CZ 3.26Å; E1313-R1316 IonicContact OE1-NE 3.77Å; E1313-R1316 PolarHBondContact OE1-NE 3.22Å; E1313-R1316 IonicContact OE1-NH2 3.95Å; E1313-R1316 PolarHBondContact OE1-NH2 3.5Å; E1313-R1316 IonicContact OE2-CZ 3.98Å; E1313-R1316 IonicContact OE2-NE 2.68Å; E1313-R1316 PolarHBondContact OE2-NE 2.95Å; E1313-R1316 IonicContact OE2-NH2 3.04Å; E1313-T1317 HydrophobicContact CG-CG2 4.44Å; E1313-T1317 PolarHBondContact O-N 3.47Å; E1313-T1317 PolarHBondContact O-OG1 3.21Å |
| 1314 | R | 61.1 | Low | 68.5 | Low | 154 Ų | 154 | 80.8 Ų | 80.8 | 58% | 0.581 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.4 | -46.2 | 169.7 | -73.9 | 169 | -177.5 | -171 | -2.4 | 111.9 | L1310 R1312 R1316 T1317 R1318 | L1310-R1314 VanDerWaalsContact O-CB 3.28Å; L1310-R1314 WeakPolarHBondContact O-CB 3.3Å; L1310-R1314 WeakPolarHBondContact O-CD 3.34Å; L1310-R1314 WeakPolarHBondContact O-CG 3.34Å; L1310-R1314 PolarHBondContact O-N 3.49Å; R1312-R1314 PolarHBondContact O-N 3.04Å; R1314-R1316 PolarHBondContact O-N 2.98Å; R1314-T1317 PolarHBondContact O-N 2.99Å; R1314-T1317 PolarHBondContact O-OG1 3.15Å; R1314-R1318 WeakPolarHBondContact O-CB 3.34Å; R1314-R1318 PolarHBondContact O-N 3.19Å |
| 1315 | K | 66.3 | Low | 66.8 | Low | 99 Ų | 99 | 81 Ų | 81 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.6 | -33 | 171.7 | -75.4 | -176.8 | 178.1 | -172.2 | 0 | 112.1 | D53 A1311 R1312 E1313 | D53-K1315 IonicContact OD2-NZ 3.28Å; D53-K1315 PolarHBondContact OD2-NZ 3.22Å; A1311-K1315 WeakPolarHBondContact O-CG 3.32Å; A1311-K1315 PolarHBondContact O-N 2.65Å; R1312-K1315 CarbonylContact O-C 3.36Å; R1312-K1315 WeakPolarHBondContact O-CB 3.14Å; R1312-K1315 PolarHBondContact O-N 2.82Å; E1313-K1315 PolarHBondContact O-N 3.46Å |
| 1316 | R | 64.6 | Low | 65.1 | Low | 103 Ų | 103 | 80.5 Ų | 80.5 | 39% | 0.389 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -77.4 | -29.7 | 179.9 | -159.3 | -178.8 | 78.2 | 100.9 | 5.7 | 113.6 | R1312 E1313 R1314 K1320 | R1312-R1316 WeakPolarHBondContact O-CB 3.44Å; R1312-R1316 PolarHBondContact O-N 3.38Å; E1313-R1316 VanDerWaalsContact CD-NE 3.28Å; E1313-R1316 CarbonylContact O-C 3.6Å; E1313-R1316 WeakPolarHBondContact O-CA 3.29Å; E1313-R1316 WeakPolarHBondContact O-CB 3.46Å; E1313-R1316 PolarHBondContact O-N 3.47Å; E1313-R1316 IonicContact OE1-CZ 2.66Å; E1313-R1316 VanDerWaalsContact OE1-CZ 3.26Å; E1313-R1316 IonicContact OE1-NE 3.77Å; E1313-R1316 PolarHBondContact OE1-NE 3.22Å; E1313-R1316 IonicContact OE1-NH2 3.95Å; E1313-R1316 PolarHBondContact OE1-NH2 3.5Å; E1313-R1316 IonicContact OE2-CZ 3.98Å; E1313-R1316 IonicContact OE2-NE 2.68Å; E1313-R1316 PolarHBondContact OE2-NE 2.95Å; E1313-R1316 IonicContact OE2-NH2 3.04Å; R1314-R1316 PolarHBondContact O-N 2.98Å; R1316-K1320 VanDerWaalsContact O-CD 3.23Å; R1316-K1320 WeakPolarHBondContact O-CD 3.44Å; R1316-K1320 WeakPolarHBondContact O-CE 3.37Å; R1316-K1320 PolarHBondContact O-NZ 3.44Å |
| 1317 | T | 64.7 | Low | 63.6 | Low | 21 Ų | 21 | 78.7 Ų | 78.7 | 13% | 0.129 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -91 | -18.5 | 176.1 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | V156 E1313 R1314 G1319 K1320 L1325 | V156-T1317 HydrophobicContact CG1-CG2 4.21Å; E1313-T1317 HydrophobicContact CG-CG2 4.44Å; E1313-T1317 PolarHBondContact O-N 3.47Å; E1313-T1317 PolarHBondContact O-OG1 3.21Å; R1314-T1317 PolarHBondContact O-N 2.99Å; R1314-T1317 PolarHBondContact O-OG1 3.15Å; T1317-G1319 PolarHBondContact O-N 3.29Å; T1317-G1319 VanDerWaalsContact O-N 3.15Å; T1317-K1320 WeakPolarHBondContact O-CB 3.43Å; T1317-K1320 PolarHBondContact O-N 3.44Å; T1317-L1325 HydrophobicContact CG2-CD1 4.35Å |
| 1318 | R | 64.5 | Low | 61.9 | Low | 58 Ų | 58 | 75.7 Ų | 75.7 | 22% | 0.219 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 117.1 | -170 | -156.1 | 177.3 | 163.8 | 111.6 | 13 | 112.4 | L81 D116 H119 E120 D157 R1314 K1320 | L81-R1318 VanDerWaalsContact CD1-NH2 3.34Å; D116-R1318 PolarHBondContact O-NH2 2.78Å; D116-R1318 WeakPolarHBondContact OD1-CD 3.15Å; D116-R1318 VanDerWaalsContact OD1-CG 3.23Å; D116-R1318 WeakPolarHBondContact OD1-CG 3.21Å; D116-R1318 IonicContact OD1-CZ 3.84Å; D116-R1318 IonicContact OD1-NE 3.3Å; D116-R1318 PolarHBondContact OD1-NE 2.84Å; H119-R1318 HydrophobicContact CB-CG 4.4Å; E120-R1318 IonicContact OE1-CZ 3.97Å; E120-R1318 VanDerWaalsContact OE1-CZ 3.24Å; E120-R1318 IonicContact OE1-NH1 3.18Å; E120-R1318 PolarHBondContact OE1-NH1 3.45Å; E120-R1318 IonicContact OE1-NH2 2.72Å; E120-R1318 PolarHBondContact OE1-NH2 3.41Å; D157-R1318 VanDerWaalsContact OD2-CA 3.25Å; D157-R1318 WeakPolarHBondContact OD2-CA 3.45Å; R1314-R1318 WeakPolarHBondContact O-CB 3.34Å; R1314-R1318 PolarHBondContact O-N 3.19Å; R1318-K1320 PolarHBondContact O-N 3.46Å; R1318-K1320 VanDerWaalsContact O-N 3.14Å |
| 1319 | G | 61.4 | Low | 60.5 | Low | 3 Ų | 3 | 73.8 Ų | 73.8 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | K115 Y155 D157 T1317 | K115-G1319 WeakPolarHBondContact CD-O 3.42Å; Y155-G1319 VanDerWaalsContact CD1-O 3.26Å; Y155-G1319 WeakPolarHBondContact CD1-O 3.34Å; Y155-G1319 WeakPolarHBondContact CE1-O 3.3Å; D157-G1319 PolarHBondContact OD2-N 3.21Å; T1317-G1319 PolarHBondContact O-N 3.29Å; T1317-G1319 VanDerWaalsContact O-N 3.15Å |
| 1320 | K | 71.2 | Confident | 59.3 | Low | 79 Ų | 79 | 77.9 Ų | 77.9 | 34% | 0.343 | 37% | 0.373 | S | S | . | . | trans | -80.6 | 144.1 | 172.3 | -70.9 | -169 | 175.3 | 160.5 | 0 | 111.5 | Y155 V156 R1316 T1317 R1318 | Y155-K1320 WeakPolarHBondContact CA-O 3.35Å; V156-K1320 PolarHBondContact N-O 2.98Å; R1316-K1320 VanDerWaalsContact O-CD 3.23Å; R1316-K1320 WeakPolarHBondContact O-CD 3.44Å; R1316-K1320 WeakPolarHBondContact O-CE 3.37Å; R1316-K1320 PolarHBondContact O-NZ 3.44Å; T1317-K1320 WeakPolarHBondContact O-CB 3.43Å; T1317-K1320 PolarHBondContact O-N 3.44Å; R1318-K1320 PolarHBondContact O-N 3.46Å; R1318-K1320 VanDerWaalsContact O-N 3.14Å | ||
| 1321 | L | 71.2 | Confident | 58.2 | Low | 45 Ų | 45 | 77.8 Ų | 77.8 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -75.3 | 144.5 | 173.6 | -63.4 | 170.2 | 0 | 0 | 0 | 109.6 | L154 Y155 V1323 D1324 L1325 | L154-L1321 HydrophobicContact CB-CD2 4.11Å; L154-L1321 WeakPolarHBondContact O-CA 3.29Å; Y155-L1321 HydrophobicContact CD1-CD2 3.78Å; Y155-L1321 HydrophobicContact CD1-CG 4.4Å; Y155-L1321 HydrophobicContact CE1-CD2 3.52Å; Y155-L1321 HydrophobicContact CE1-CG 4.15Å; Y155-L1321 HydrophobicContact CG-CD2 4.44Å; L1321-V1323 PolarHBondContact O-N 3.01Å; L1321-D1324 PolarHBondContact O-N 2.94Å; L1321-L1325 PolarHBondContact O-N 3.13Å |
| 1322 | I | 67.2 | Low | 56.8 | Low | 22 Ų | 22 | 80.3 Ų | 80.3 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.1 | -32.6 | 178.3 | -66.8 | 165.6 | 0 | 0 | 0 | 111.2 | M153 L154 V156 M159 Y197 L1325 N1326 | M153-I1322 WeakPolarHBondContact O-CD1 3.28Å; L154-I1322 WeakPolarHBondContact O-CG1 3.3Å; L154-I1322 PolarHBondContact O-N 3.28Å; V156-I1322 HydrophobicContact CG2-CG1 4.16Å; M159-I1322 HydrophobicContact CB-CD1 3.92Å; M159-I1322 HydrophobicContact CE-CD1 4.5Å; M159-I1322 HydrophobicContact CG-CD1 4.34Å; Y197-I1322 HydrophobicContact CD2-CD1 3.78Å; Y197-I1322 HydrophobicContact CD2-CG1 4.26Å; Y197-I1322 HydrophobicContact CD2-CG2 3.82Å; Y197-I1322 HydrophobicContact CE2-CB 4.39Å; Y197-I1322 HydrophobicContact CE2-CD1 3.66Å; Y197-I1322 HydrophobicContact CE2-CG1 3.74Å; Y197-I1322 HydrophobicContact CE2-CG2 3.76Å; I1322-L1325 PolarHBondContact O-N 2.93Å; I1322-N1326 PolarHBondContact O-N 3.22Å |
| 1323 | V | 62.3 | Low | 55.3 | Low | 59 Ų | 59 | 75.1 Ų | 75.1 | 36% | 0.358 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 179.6 | -163.7 | 0 | 0 | 0 | 0 | 111.3 | L1321 L1325 N1326 T1327 L1426 | L1321-V1323 PolarHBondContact O-N 3.01Å; V1323-L1325 VanDerWaalsContact C-N 3.26Å; V1323-L1325 PolarHBondContact O-N 3.37Å; V1323-N1326 PolarHBondContact O-N 2.75Å; V1323-T1327 PolarHBondContact O-N 2.85Å; V1323-T1327 PolarHBondContact O-OG1 3.06Å; V1323-L1426 HydrophobicContact CG2-CD1 4.37Å |
| 1324 | D | 56.9 | Low | 54.1 | Low | 78 Ų | 78 | 77.9 Ų | 77.9 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 176.6 | -51 | -31.2 | 0 | 0 | 0 | 111.3 | L1321 T1327 I1328 | L1321-D1324 PolarHBondContact O-N 2.94Å; D1324-T1327 PolarHBondContact O-N 3Å; D1324-I1328 VanDerWaalsContact O-CG1 3.26Å; D1324-I1328 WeakPolarHBondContact O-CG1 3.48Å; D1324-I1328 PolarHBondContact O-N 3.35Å |
| 1325 | L | 50.6 | Low | 53.1 | Low | 35 Ų | 35 | 75.4 Ų | 75.4 | 18% | 0.183 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74.6 | -35.8 | -175.1 | -145.3 | 152.2 | 0 | 0 | 0 | 111.6 | V156 T1317 L1321 I1322 V1323 I1328 M1329 | V156-L1325 HydrophobicContact CG1-CD1 4.45Å; V156-L1325 HydrophobicContact CG2-CD1 3.62Å; T1317-L1325 HydrophobicContact CG2-CD1 4.35Å; L1321-L1325 PolarHBondContact O-N 3.13Å; I1322-L1325 PolarHBondContact O-N 2.93Å; V1323-L1325 VanDerWaalsContact C-N 3.26Å; V1323-L1325 PolarHBondContact O-N 3.37Å; L1325-I1328 PolarHBondContact O-N 3.07Å; L1325-M1329 HydrophobicContact CD2-CG 3.93Å; L1325-M1329 HydrophobicContact CD2-SD 3.63Å; L1325-M1329 WeakPolarHBondContact O-CG 3.34Å; L1325-M1329 PolarHBondContact O-N 3.39Å |
| 1326 | N | 48.2 | Very low | 51.8 | Low | 94 Ų | 94 | 76.5 Ų | 76.5 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 168.6 | -73.7 | -10.1 | 0 | 0 | 0 | 111.3 | I1322 V1323 I1328 M1329 E1330 | I1322-N1326 PolarHBondContact O-N 3.22Å; V1323-N1326 PolarHBondContact O-N 2.75Å; N1326-I1328 VanDerWaalsContact C-N 3.31Å; N1326-I1328 PolarHBondContact O-N 2.74Å; N1326-M1329 PolarHBondContact O-N 3.32Å; N1326-M1329 VanDerWaalsContact O-N 3.12Å; N1326-E1330 PolarHBondContact O-N 3.02Å |
| 1327 | T | 47.1 | Very low | 50.2 | Low | 74 Ų | 74 | 78.6 Ų | 78.6 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 175.3 | -52.1 | 0 | 0 | 0 | 0 | 112 | V1323 D1324 L1331 | V1323-T1327 PolarHBondContact O-N 2.85Å; V1323-T1327 PolarHBondContact O-OG1 3.06Å; D1324-T1327 PolarHBondContact O-N 3Å; T1327-L1331 HydrophobicContact CG2-CD1 4.28Å; T1327-L1331 VanDerWaalsContact O-CG 3.29Å; T1327-L1331 WeakPolarHBondContact O-CG 3.24Å; T1327-L1331 PolarHBondContact O-N 2.92Å |
| 1328 | I | 39.7 | Very low | 48.6 | Very low | 56 Ų | 56 | 80.9 Ų | 80.9 | 29% | 0.287 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 175.6 | -70.7 | 164.2 | 0 | 0 | 0 | 111.9 | D1324 L1325 N1326 L1331 Q1332 | D1324-I1328 VanDerWaalsContact O-CG1 3.26Å; D1324-I1328 WeakPolarHBondContact O-CG1 3.48Å; D1324-I1328 PolarHBondContact O-N 3.35Å; L1325-I1328 PolarHBondContact O-N 3.07Å; N1326-I1328 VanDerWaalsContact C-N 3.31Å; N1326-I1328 PolarHBondContact O-N 2.74Å; I1328-L1331 PolarHBondContact O-N 2.99Å; I1328-Q1332 HydrophobicContact CG2-CG 4.45Å; I1328-Q1332 WeakPolarHBondContact O-CB 3.17Å; I1328-Q1332 WeakPolarHBondContact O-CG 3.25Å; I1328-Q1332 PolarHBondContact O-N 3.28Å |
| 1329 | M | 44.8 | Very low | 47 | Very low | 113 Ų | 113 | 87.4 Ų | 87.4 | 56% | 0.557 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -73.5 | -35.1 | 178 | -73 | -178.9 | 78.5 | 0 | 0 | 112.7 | L1325 N1326 Q1332 S1333 | L1325-M1329 HydrophobicContact CD2-CG 3.93Å; L1325-M1329 HydrophobicContact CD2-SD 3.63Å; L1325-M1329 WeakPolarHBondContact O-CG 3.34Å; L1325-M1329 PolarHBondContact O-N 3.39Å; N1326-M1329 PolarHBondContact O-N 3.32Å; N1326-M1329 VanDerWaalsContact O-N 3.12Å; M1329-Q1332 PolarHBondContact O-N 2.88Å; M1329-S1333 WeakPolarHBondContact O-CB 3.48Å; M1329-S1333 PolarHBondContact O-N 3.35Å |
| 1330 | E | 44.6 | Very low | 45.3 | Very low | 142 Ų | 142 | 93.1 Ų | 93.1 | 66% | 0.664 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -47.3 | 168.3 | -71.3 | -171 | 121.9 | 0 | 0 | 111.1 | N1326 Q1332 S1333 E1334 | N1326-E1330 PolarHBondContact O-N 3.02Å; E1330-Q1332 VanDerWaalsContact C-N 3.32Å; E1330-Q1332 PolarHBondContact O-N 3.41Å; E1330-S1333 WeakPolarHBondContact O-CA 3.23Å; E1330-S1333 VanDerWaalsContact O-CB 3.27Å; E1330-S1333 WeakPolarHBondContact O-CB 3.44Å; E1330-S1333 PolarHBondContact O-N 3.39Å; E1330-S1333 VanDerWaalsContact O-N 3.09Å; E1330-E1334 PolarHBondContact O-N 2.73Å |
| 1331 | L | 40.8 | Very low | 43.3 | Very low | 95 Ų | 95 | 95.8 Ų | 95.8 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 175.8 | -70.9 | 168.3 | 0 | 0 | 0 | 112.8 | T1327 I1328 E1334 V1335 | T1327-L1331 HydrophobicContact CG2-CD1 4.28Å; T1327-L1331 VanDerWaalsContact O-CG 3.29Å; T1327-L1331 WeakPolarHBondContact O-CG 3.24Å; T1327-L1331 PolarHBondContact O-N 2.92Å; I1328-L1331 PolarHBondContact O-N 2.99Å; L1331-E1334 PolarHBondContact O-N 3.24Å; L1331-V1335 WeakPolarHBondContact O-CG2 3.5Å; L1331-V1335 PolarHBondContact O-N 2.69Å |
| 1332 | Q | 37.8 | Very low | 41 | Very low | 103 Ų | 103 | 100.5 Ų | 100.5 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.1 | -33 | 173.9 | -76.6 | -173.7 | -21.5 | 0 | 0 | 112.6 | I1328 M1329 E1330 V1335 V1336 | I1328-Q1332 HydrophobicContact CG2-CG 4.45Å; I1328-Q1332 WeakPolarHBondContact O-CB 3.17Å; I1328-Q1332 WeakPolarHBondContact O-CG 3.25Å; I1328-Q1332 PolarHBondContact O-N 3.28Å; M1329-Q1332 PolarHBondContact O-N 2.88Å; E1330-Q1332 VanDerWaalsContact C-N 3.32Å; E1330-Q1332 PolarHBondContact O-N 3.41Å; Q1332-V1335 PolarHBondContact O-N 3.13Å; Q1332-V1336 WeakPolarHBondContact O-CG2 3.42Å; Q1332-V1336 PolarHBondContact O-N 3.47Å |
| 1333 | S | 34.4 | Very low | 39.1 | Very low | 68 Ų | 68 | 102.6 Ų | 102.6 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.4 | -44.4 | 171 | -172 | 0 | 0 | 0 | 0 | 111.6 | M1329 E1330 V1336 | M1329-S1333 WeakPolarHBondContact O-CB 3.48Å; M1329-S1333 PolarHBondContact O-N 3.35Å; E1330-S1333 WeakPolarHBondContact O-CA 3.23Å; E1330-S1333 VanDerWaalsContact O-CB 3.27Å; E1330-S1333 WeakPolarHBondContact O-CB 3.44Å; E1330-S1333 PolarHBondContact O-N 3.39Å; E1330-S1333 VanDerWaalsContact O-N 3.09Å; S1333-V1336 PolarHBondContact O-N 2.88Å |
| 1334 | E | 36.1 | Very low | 37.6 | Very low | 135 Ų | 135 | 108 Ų | 108 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.2 | -41.1 | 175.2 | -67.6 | -159.6 | 135 | 0 | 0 | 112.5 | E1330 L1331 V1336 Q1337 A1338 | E1330-E1334 PolarHBondContact O-N 2.73Å; L1331-E1334 PolarHBondContact O-N 3.24Å; E1334-V1336 PolarHBondContact O-N 3.35Å; E1334-Q1337 CarbonylContact O-C 3.59Å; E1334-Q1337 WeakPolarHBondContact O-CA 3.39Å; E1334-Q1337 PolarHBondContact O-N 3.08Å; E1334-A1338 WeakPolarHBondContact O-CB 3.3Å; E1334-A1338 PolarHBondContact O-N 2.95Å |
| 1335 | V | 40.3 | Very low | 36.2 | Very low | 101 Ų | 101 | 114.8 Ų | 114.8 | 61% | 0.612 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.7 | -27.8 | 177.7 | 167 | 0 | 0 | 0 | 0 | 112.9 | L1331 Q1332 | L1331-V1335 WeakPolarHBondContact O-CG2 3.5Å; L1331-V1335 PolarHBondContact O-N 2.69Å; Q1332-V1335 PolarHBondContact O-N 3.13Å |
| 1336 | V | 38.4 | Very low | 35 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 74% | 0.739 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.7 | -29.9 | 172.8 | 174.1 | 0 | 0 | 0 | 0 | 112 | Q1332 S1333 E1334 | Q1332-V1336 WeakPolarHBondContact O-CG2 3.42Å; Q1332-V1336 PolarHBondContact O-N 3.47Å; S1333-V1336 PolarHBondContact O-N 2.88Å; E1334-V1336 PolarHBondContact O-N 3.35Å |
| 1337 | Q | 32.7 | Very low | 34 | Very low | 147 Ų | 147 | 121 Ų | 121 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -87.5 | -27 | 175.8 | -58.2 | -169.1 | 41.1 | 0 | 0 | 113.1 | E1334 K1339 | E1334-Q1337 CarbonylContact O-C 3.59Å; E1334-Q1337 WeakPolarHBondContact O-CA 3.39Å; E1334-Q1337 PolarHBondContact O-N 3.08Å; Q1337-K1339 PolarHBondContact O-N 2.89Å |
| 1338 | A | 31.1 | Very low | 33.2 | Very low | 69 Ų | 69 | 122.5 Ų | 122.5 | 57% | 0.57 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -3.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | E1334 T1340 | E1334-A1338 WeakPolarHBondContact O-CB 3.3Å; E1334-A1338 PolarHBondContact O-N 2.95Å; A1338-T1340 PolarHBondContact O-N 2.68Å; A1338-T1340 VanDerWaalsContact O-N 3.17Å |
| 1339 | K | 30.4 | Very low | 32.7 | Very low | 196 Ų | 196 | 127.3 Ų | 127.3 | 85% | 0.852 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 1.1 | 175.5 | -91.8 | 178.1 | 177.7 | 170.8 | 0 | 114.9 | Q1337 | Q1337-K1339 PolarHBondContact O-N 2.89Š|
| 1340 | T | 26.2 | Very low | 31.7 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -133.9 | 75.4 | 170.7 | 44 | 0 | 0 | 0 | 0 | 113.2 | A1338 | A1338-T1340 PolarHBondContact O-N 2.68Å; A1338-T1340 VanDerWaalsContact O-N 3.17Å |
| 1341 | V | 27.5 | Very low | 30.9 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -176.2 | 137.1 | 134.2 | 142.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1342 | T | 24.4 | Very low | 30.4 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -99.3 | 118.6 | 177.1 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1343 | G | 26.4 | Very low | 30 | Very low | 67 Ų | 67 | 134.9 Ų | 134.9 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | 110.9 | 111.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1344 | L | 31.6 | Very low | 29.7 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | 168.4 | 98.1 | 151.4 | -94.2 | 159.3 | 0 | 0 | 0 | 105.3 | ||||
| 1345 | R | 26.4 | Very low | 29.5 | Very low | 221 Ų | 221 | 138.6 Ų | 138.6 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | 80 | 86.4 | 58.2 | -157.8 | -175.7 | -160.1 | -162.6 | 5.9 | 114.1 | |||||
| 1346 | N | 25.1 | Very low | 29.1 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | 42.1 | 114.1 | 148.2 | -54 | 27.5 | 0 | 0 | 0 | 120.2 | ||||
| 1347 | A | 28.4 | Very low | 28.7 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -153.9 | 129.1 | 136.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1348 | P | 29.3 | Very low | 28.7 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -83.2 | 164.2 | 167.8 | 35.9 | -33.9 | 0 | 0 | 0 | 110.6 | ||||
| 1349 | N | 29.4 | Very low | 28.9 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -134.1 | 47.3 | -178.6 | -152.4 | 35.5 | 0 | 0 | 0 | 113.5 | L1351 | N1349-L1351 VanDerWaalsContact C-N 3.27Å; N1349-L1351 PolarHBondContact O-N 2.94Å | ||
| 1350 | D | 24.8 | Very low | 29 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -70.3 | 64.6 | 176.4 | -64.2 | -62.2 | 0 | 0 | 0 | 113.2 | ||||
| 1351 | L | 26.2 | Very low | 29.4 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -157.7 | 37.1 | 173.9 | -144 | 72.9 | 0 | 0 | 0 | 120.2 | N1349 | N1349-L1351 VanDerWaalsContact C-N 3.27Å; N1349-L1351 PolarHBondContact O-N 2.94Å | ||
| 1352 | V | 31.9 | Very low | 29.7 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -145.6 | 59.7 | 158.1 | -162.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1353 | Q | 29.5 | Very low | 30.1 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -157.1 | 30.5 | -179.2 | -131.6 | 164.9 | 1 | 0 | 0 | 115.4 | ||
| 1354 | S | 28.3 | Very low | 30.3 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -137.5 | 29.6 | -177.1 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1355 | K | 30.7 | Very low | 30.1 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -130.8 | -26.6 | -176 | -141.8 | 171.7 | -173.1 | 177.2 | 0 | 115.8 | ||
| 1356 | D | 31.7 | Very low | 30.3 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -89.6 | -30.4 | -176 | -51.8 | -31.5 | 0 | 0 | 0 | 111.6 | A1358 E1359 | D1356-A1358 PolarHBondContact O-N 3.12Å; D1356-A1358 VanDerWaalsContact O-N 3.16Å; D1356-E1359 PolarHBondContact O-N 3.01Å |
| 1357 | D | 30.8 | Very low | 30.5 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 48% | 0.476 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -65.2 | -15.7 | 175.3 | -63.4 | -61.9 | 0 | 0 | 0 | 114.6 | ||
| 1358 | A | 32.7 | Very low | 30.4 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -75.9 | -39.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1356 | D1356-A1358 PolarHBondContact O-N 3.12Å; D1356-A1358 VanDerWaalsContact O-N 3.16Å |
| 1359 | E | 34.8 | Very low | 30.4 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 77% | 0.771 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -78.8 | -27.6 | -179.8 | -61.1 | -168 | 165.4 | 0 | 0 | 111.7 | D1356 | D1356-E1359 PolarHBondContact O-N 3.01Å |
| 1360 | L | 32.7 | Very low | 30.5 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 57% | 0.565 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -69.5 | -31.5 | 177.4 | -166.6 | 65.6 | 0 | 0 | 0 | 113.2 | ||
| 1361 | R | 35.4 | Very low | 31 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 62% | 0.619 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -75.6 | -32.9 | 179.1 | -76.7 | -175.9 | 173.4 | 175.6 | 1.1 | 113.7 | A44 L1363 L1364 | A44-R1361 PolarHBondContact O-NH2 2.62Å; R1361-L1363 VanDerWaalsContact C-N 3.33Å; R1361-L1364 PolarHBondContact O-N 3.4Å |
| 1362 | D | 33.8 | Very low | 31 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -72.8 | -29 | 179.5 | -155.8 | 49.4 | 0 | 0 | 0 | 111.9 | L1364 | D1362-L1364 VanDerWaalsContact C-N 3.25Å; D1362-L1364 PolarHBondContact O-N 3.37Å |
| 1363 | L | 32.8 | Very low | 30.9 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -23.8 | 176.4 | -149.4 | 80.1 | 0 | 0 | 0 | 113.7 | R1361 | R1361-L1363 VanDerWaalsContact C-N 3.33Š|
| 1364 | L | 29.3 | Very low | 30.9 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -1.6 | -172 | -66.4 | 172.4 | 0 | 0 | 0 | 114.4 | R1361 D1362 | R1361-L1364 PolarHBondContact O-N 3.4Å; D1362-L1364 VanDerWaalsContact C-N 3.25Å; D1362-L1364 PolarHBondContact O-N 3.37Å |
| 1365 | L | 28 | Very low | 30.9 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 58% | 0.576 | 72% | 0.719 | S | S | * | * | trans | -110.5 | 1.2 | -171.2 | -85.5 | 167 | 0 | 0 | 0 | 115.7 | P1367 | L1365-P1367 WeakPolarHBondContact O-CD 3.1Š| ||
| 1366 | R | 30.7 | Very low | 30.8 | Very low | 215 Ų | 215 | 131.8 Ų | 131.8 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | trans | -87.1 | 115.3 | 179 | 179.4 | 172.8 | 167.4 | 170.9 | -5.5 | 112 | ||||
| 1367 | P | 28.3 | Very low | 30.5 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | trans | -76.1 | 152.7 | 172 | 32.6 | -34.3 | 0 | 0 | 0 | 111.5 | L1365 | L1365-P1367 WeakPolarHBondContact O-CD 3.1Š| ||
| 1368 | S | 27.9 | Very low | 30.5 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -124.3 | 126.8 | 176.2 | -64.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1369 | N | 28.4 | Very low | 30.3 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -134 | 170.8 | 165.2 | -102.8 | -0.6 | 0 | 0 | 0 | 108.2 | G506 | G506-N1369 PolarHBondContact O-ND2 3.27Å; G506-N1369 VanDerWaalsContact O-ND2 3.15Å | ||
| 1370 | E | 32.4 | Very low | 29.9 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | 76.2 | 72.2 | 178.3 | -58.9 | -173.8 | -167.9 | 0 | 0 | 116.7 | ||||
| 1371 | T | 33.7 | Very low | 29.7 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 83% | 0.828 | 75% | 0.754 | S | S | * | * | 55.9 | 137.2 | 119.6 | 54.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1372 | D | 26.3 | Very low | 29.6 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -57.5 | 143.8 | 177.3 | -55.2 | -82.2 | 0 | 0 | 0 | 115.9 | ||||
| 1373 | S | 29.9 | Very low | 29.3 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | -159.9 | 157.9 | 106.8 | -144.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1374 | D | 29.3 | Very low | 29 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 62.5 | 77.2 | 156 | -61.1 | 13.7 | 0 | 0 | 0 | 118.1 | S1376 | D1374-S1376 PolarHBondContact O-N 3.08Š| ||
| 1375 | A | 29.8 | Very low | 29 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | trans | -66.5 | 109.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1376 | S | 27.5 | Very low | 29.1 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -173.5 | 32.4 | 151 | 47.6 | 0 | 0 | 0 | 0 | 117.1 | D1374 | D1374-S1376 PolarHBondContact O-N 3.08Š| ||
| 1377 | S | 26.1 | Very low | 28.9 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -156.3 | 88.3 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1378 | F | 30.4 | Very low | 29.3 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -152.5 | 47.2 | 152.7 | -144.8 | -99.3 | 0 | 0 | 0 | 116.2 | A1380 T1381 | F1378-A1380 VanDerWaalsContact C-N 3.32Å; F1378-T1381 VanDerWaalsContact CE1-O 3.27Å; F1378-T1381 WeakPolarHBondContact CE1-O 3.4Å | ||
| 1379 | T | 27.8 | Very low | 29.7 | Very low | 154 Ų | 154 | 150.6 Ų | 150.6 | 95% | 0.945 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -96.3 | 36.5 | 167.5 | 45.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1380 | A | 27.3 | Very low | 29.8 | Very low | 68 Ų | 68 | 147.5 Ų | 147.5 | 56% | 0.562 | 81% | 0.808 | S | S | * | * | trans | -149.8 | 132.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1378 | F1378-A1380 VanDerWaalsContact C-N 3.32Š| ||
| 1381 | T | 28.4 | Very low | 30.3 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 68% | 0.681 | 81% | 0.811 | S | S | * | * | trans | 71.9 | 114.5 | -174 | -32.2 | 0 | 0 | 0 | 0 | 111 | F1378 | F1378-T1381 VanDerWaalsContact CE1-O 3.27Å; F1378-T1381 WeakPolarHBondContact CE1-O 3.4Å | ||
| 1382 | I | 33.3 | Very low | 30.1 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | cis | -119.8 | 119.1 | 38.8 | -65.8 | 160.6 | 0 | 0 | 0 | 112.8 | ||||
| 1383 | R | 26.9 | Very low | 30.9 | Very low | 237 Ų | 237 | 141.9 Ų | 141.9 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | -129.2 | 89 | 156.5 | -96.6 | -173 | 173.1 | 157.2 | -1.3 | 108.5 | ||||
| 1384 | R | 27.8 | Very low | 30.9 | Very low | 219 Ų | 219 | 148.1 Ų | 148.1 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -175 | 131.8 | 166.1 | -114.8 | 159.5 | -92.3 | 169.2 | -11.5 | 112.3 | ||||
| 1385 | R | 29.5 | Very low | 31.1 | Very low | 239 Ų | 239 | 152 Ų | 152 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | 70 | 138 | 178.2 | -43 | 178.4 | -167.9 | -147.2 | 3 | 113.4 | ||||
| 1386 | L | 29.1 | Very low | 31.3 | Very low | 158 Ų | 158 | 154.8 Ų | 154.8 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | cis | -108.2 | 140.9 | -9.4 | -80.3 | 81.5 | 0 | 0 | 0 | 111.2 | ||||
| 1387 | H | 27.6 | Very low | 31.4 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 89% | 0.889 | 81% | 0.812 | S | S | * | * | trans | -154.2 | 131.8 | 151.7 | -110.4 | 61.4 | 0 | 0 | 0 | 107.5 | ||||
| 1388 | T | 36.4 | Very low | 31.9 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -122.1 | 152.7 | 170.9 | 42.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1389 | P | 35 | Very low | 32.2 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | -103.2 | 145.7 | -128.7 | 35.6 | -36.3 | 0 | 0 | 0 | 116.7 | |||||
| 1390 | G | 32.1 | Very low | 32.6 | Very low | 69 Ų | 69 | 151.9 Ų | 151.9 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -113.7 | 143.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1391 | P | 42.1 | Very low | 32.7 | Very low | 139 Ų | 139 | 160.3 Ų | 160.3 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | trans | -87.8 | 144.3 | -168.8 | 33.5 | -35.4 | 0 | 0 | 0 | 114.3 | ||||
| 1392 | A | 30.1 | Very low | 32.9 | Very low | 87 Ų | 87 | 158.6 Ų | 158.6 | 72% | 0.719 | 83% | 0.832 | S | S | * | * | trans | -112.2 | 150.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1393 | P | 42.2 | Very low | 32.8 | Very low | 132 Ų | 132 | 163.3 Ų | 163.3 | 86% | 0.857 | 84% | 0.84 | S | S | * | * | trans | -92.2 | 162.1 | 155.6 | 34.8 | -29.5 | 0 | 0 | 0 | 111.8 | ||||
| 1394 | R | 30 | Very low | 32.8 | Very low | 232 Ų | 232 | 157.2 Ų | 157.2 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | trans | -123.1 | 149.9 | -167.5 | -43.7 | 174.7 | -167.6 | -177.8 | 2.6 | 113 | ||||
| 1395 | R | 33.8 | Very low | 33.3 | Very low | 226 Ų | 226 | 153 Ų | 153 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -168.4 | 112.3 | 142.9 | -99.8 | 154.1 | -156 | -88.4 | 2.7 | 107.9 | ||||
| 1396 | L | 33.5 | Very low | 33.1 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | 78.2 | 119.6 | 81.9 | -74.4 | 179.1 | 0 | 0 | 0 | 113.8 | |||||
| 1397 | A | 29.2 | Very low | 33.3 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -88.9 | -179.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1398 | P | 38.3 | Very low | 33.2 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | -146.1 | 168.1 | 84.1 | 37.9 | -20.4 | 0 | 0 | 0 | 116.2 | |||||
| 1399 | P | 36.5 | Very low | 32.7 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | trans | -98 | 174.9 | 178 | 39.6 | -36.2 | 0 | 0 | 0 | 113.8 | ||||
| 1400 | N | 35.7 | Very low | 32.3 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -145.7 | 166.4 | 163.3 | -148.5 | -11.5 | 0 | 0 | 0 | 113.2 | ||||
| 1401 | R | 29.7 | Very low | 32 | Very low | 246 Ų | 246 | 149.7 Ų | 149.7 | 93% | 0.928 | 84% | 0.836 | S | S | * | * | trans | -119.6 | 153.2 | -163 | -66.8 | 170.3 | 165.9 | 165.1 | -7.2 | 114.6 | ||||
| 1402 | G | 31.4 | Very low | 31.6 | Very low | 75 Ų | 75 | 147.6 Ų | 147.6 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | 163.6 | 89.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1403 | R | 30.9 | Very low | 31.7 | Very low | 252 Ų | 252 | 149.3 Ų | 149.3 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | 83.4 | 103.9 | 86 | -162.8 | -177.3 | -160.9 | -152.4 | 4.7 | 113.6 | |||||
| 1404 | S | 27.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -68.7 | -176.2 | 174.6 | -13 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1405 | P | 38.8 | Very low | 31.5 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | cis | -142.4 | 177.1 | 22 | 43.7 | -25.3 | 0 | 0 | 0 | 118.2 | ||||
| 1406 | G | 26.2 | Very low | 31.8 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 138.8 | 86.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1407 | L | 31.8 | Very low | 32.1 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -160 | 167.2 | 132.2 | -122.8 | 132.5 | 0 | 0 | 0 | 110.6 | ||||
| 1408 | L | 25.7 | Very low | 32.5 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -117.5 | 159.3 | -170.9 | -72.8 | 166.6 | 0 | 0 | 0 | 111.6 | ||||
| 1409 | C | 26 | Very low | 32.4 | Very low | 120 Ų | 120 | 134 Ų | 134 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 69.1 | 95.6 | 162.4 | -162.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1410 | E | 27.2 | Very low | 32.7 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | -169.3 | 127.5 | 113.7 | -102.5 | 171.2 | -177.6 | 0 | 0 | 109.6 | |||||
| 1411 | T | 26 | Very low | 33 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 91% | 0.908 | 75% | 0.746 | S | S | * | * | trans | -145.6 | 86.3 | -179.3 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1412 | S | 32.4 | Very low | 33.5 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -145 | -29.5 | 172.6 | 51.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1413 | D | 32.1 | Very low | 34 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -74.4 | -34.3 | -171.6 | -64.3 | -19.7 | 0 | 0 | 0 | 114.2 | S1415 M1416 | D1413-S1415 PolarHBondContact O-N 2.66Å; D1413-M1416 PolarHBondContact O-N 3Å; D1413-M1416 VanDerWaalsContact O-N 3.13Å |
| 1414 | A | 31.1 | Very low | 35.1 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 72% | 0.719 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -64.4 | -2.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1415 | S | 38.6 | Very low | 36.6 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 70% | 0.699 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -100.5 | -10.5 | 177 | -167.1 | 0 | 0 | 0 | 0 | 114.3 | D1413 | D1413-S1415 PolarHBondContact O-N 2.66Š|
| 1416 | M | 40.1 | Very low | 37.2 | Very low | 105 Ų | 105 | 118 Ų | 118 | 52% | 0.517 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.1 | -39.9 | 179.8 | -158.8 | -177.1 | -62.5 | 0 | 0 | 112.2 | D1413 A1418 L1419 | D1413-M1416 PolarHBondContact O-N 3Å; D1413-M1416 VanDerWaalsContact O-N 3.13Å; M1416-A1418 PolarHBondContact O-N 3.32Å; M1416-L1419 PolarHBondContact O-N 2.66Å |
| 1417 | E | 38.7 | Very low | 38.7 | Very low | 131 Ų | 131 | 115.7 Ų | 115.7 | 61% | 0.612 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -21.9 | -179.5 | -60.5 | -174.5 | 127.8 | 0 | 0 | 114.1 | L1419 | E1417-L1419 VanDerWaalsContact C-N 3.3Å; E1417-L1419 PolarHBondContact O-N 2.91Å |
| 1418 | A | 36.9 | Very low | 40.2 | Very low | 83 Ų | 83 | 109.5 Ų | 109.5 | 69% | 0.686 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -10 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1416 | M1416-A1418 PolarHBondContact O-N 3.32Š|
| 1419 | L | 37.9 | Very low | 41.7 | Very low | 142 Ų | 142 | 104 Ų | 104 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -16.9 | 178.7 | -67.1 | 174 | 0 | 0 | 0 | 113.8 | M1416 E1417 | M1416-L1419 PolarHBondContact O-N 2.66Å; E1417-L1419 VanDerWaalsContact C-N 3.3Å; E1417-L1419 PolarHBondContact O-N 2.91Å |
| 1420 | D | 42.9 | Very low | 42.9 | Very low | 49 Ų | 49 | 99.6 Ų | 99.6 | 26% | 0.262 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -81.4 | -14 | -172.5 | -89.3 | -35.1 | 0 | 0 | 0 | 114.5 | R147 E1422 | R147-D1420 IonicContact NH1-OD1 3.51Å; R147-D1420 PolarHBondContact NH1-OD1 3.47Å; D1420-E1422 PolarHBondContact O-N 3.4Å |
| 1421 | Q | 42 | Very low | 44.3 | Very low | 177 Ų | 177 | 91.6 Ų | 91.6 | 83% | 0.827 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -77 | -12.8 | -168.1 | -66.3 | -167.1 | -2.4 | 0 | 0 | 115.8 | ||
| 1422 | E | 40.1 | Very low | 45.6 | Very low | 165 Ų | 165 | 92 Ų | 92 | 77% | 0.771 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -114.4 | -5.3 | -171.9 | -64.2 | -171.4 | 148.4 | 0 | 0 | 115.3 | D1420 | D1420-E1422 PolarHBondContact O-N 3.4Š|
| 1423 | Q | 40.6 | Very low | 46.6 | Very low | 136 Ų | 136 | 91.7 Ų | 91.7 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -120.8 | 8.9 | -162.3 | -63.6 | -163.5 | -3.8 | 0 | 0 | 118.4 | K108 | K108-Q1423 PolarHBondContact NZ-O 3.22Š|
| 1424 | D | 55.2 | Low | 47.1 | Very low | 38 Ų | 38 | 86 Ų | 86 | 20% | 0.203 | 48% | 0.476 | C | S | . | . | trans | -128.6 | 31.5 | 174.4 | -63.5 | -63.1 | 0 | 0 | 0 | 113.8 | K108 R147 L1426 L1427 D1428 | K108-D1424 IonicContact NZ-OD1 3.46Å; K108-D1424 PolarHBondContact NZ-OD1 3.38Å; R147-D1424 IonicContact CZ-OD1 2.66Å; R147-D1424 IonicContact CZ-OD2 3.13Å; R147-D1424 IonicContact NH1-OD1 3.15Å; R147-D1424 IonicContact NH1-OD2 3.47Å; R147-D1424 PolarHBondContact NH1-OD2 2.95Å; R147-D1424 VanDerWaalsContact NH2-CG 3.28Å; R147-D1424 IonicContact NH2-OD1 3.6Å; R147-D1424 PolarHBondContact NH2-OD1 3.12Å; R147-D1424 VanDerWaalsContact NH2-OD1 3.13Å; R147-D1424 IonicContact NH2-OD2 3.95Å; R147-D1424 PolarHBondContact NH2-OD2 3.18Å; D1424-L1426 PolarHBondContact O-N 2.84Å; D1424-L1426 VanDerWaalsContact O-N 3.1Å; D1424-L1427 PolarHBondContact O-N 3.15Å; D1424-D1428 PolarHBondContact O-N 2.8Å; D1424-D1428 VanDerWaalsContact O-N 3.08Å | ||
| 1425 | I | 58.5 | Low | 47.6 | Very low | 120 Ų | 120 | 83 Ų | 83 | 62% | 0.615 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -49.6 | -41 | -176.4 | -59 | 175 | 0 | 0 | 0 | 112.6 | D1428 A1429 | I1425-D1428 CarbonylContact O-C 3.58Å; I1425-A1429 VanDerWaalsContact O-CB 3.26Å; I1425-A1429 WeakPolarHBondContact O-CB 3.47Å; I1425-A1429 PolarHBondContact O-N 3.38Å |
| 1426 | L | 51.5 | Low | 47.7 | Very low | 76 Ų | 76 | 82.3 Ų | 82.3 | 40% | 0.398 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.4 | -42.1 | -176.2 | -173.8 | 59.3 | 0 | 0 | 0 | 113.1 | L154 V1323 D1424 D1428 A1429 C1430 | L154-L1426 HydrophobicContact CD1-CD2 4.06Å; L154-L1426 HydrophobicContact CD1-CG 4.34Å; L154-L1426 HydrophobicContact CD2-CG 4.45Å; V1323-L1426 HydrophobicContact CG2-CD1 4.37Å; D1424-L1426 PolarHBondContact O-N 2.84Å; D1424-L1426 VanDerWaalsContact O-N 3.1Å; L1426-D1428 VanDerWaalsContact C-N 3.31Å; L1426-D1428 PolarHBondContact O-N 2.9Å; L1426-A1429 WeakPolarHBondContact O-CB 3.23Å; L1426-A1429 PolarHBondContact O-N 3.15Å; L1426-C1430 PolarHBondContact O-N 3.37Å; L1426-C1430 PolarHBondContact O-SG 3.16Å; L1426-C1430 VanDerWaalsContact O-SG 3.37Å |
| 1427 | L | 57.1 | Low | 47.3 | Very low | 20 Ų | 20 | 81.7 Ų | 81.7 | 11% | 0.105 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 174.2 | 177.8 | 59.2 | 0 | 0 | 0 | 110 | L193 D1424 A1429 C1430 L1431 | L193-L1427 HydrophobicContact CD2-CD1 3.9Å; D1424-L1427 PolarHBondContact O-N 3.15Å; L1427-A1429 VanDerWaalsContact C-N 3.28Å; L1427-A1429 PolarHBondContact O-N 3.19Å; L1427-C1430 PolarHBondContact O-N 3.13Å; L1427-L1431 HydrophobicContact CD1-CD1 4.06Å; L1427-L1431 HydrophobicContact CD1-CG 4.47Å; L1427-L1431 HydrophobicContact CG-CD1 3.89Å; L1427-L1431 WeakPolarHBondContact O-CB 3.45Å; L1427-L1431 WeakPolarHBondContact O-CD1 3.21Å; L1427-L1431 VanDerWaalsContact O-CG 3.25Å; L1427-L1431 WeakPolarHBondContact O-CG 3.26Å; L1427-L1431 PolarHBondContact O-N 2.76Å |
| 1428 | D | 63.3 | Low | 46.8 | Very low | 46 Ų | 46 | 82.4 Ų | 82.4 | 25% | 0.246 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -74.7 | -16.8 | 177.8 | -79.6 | 23.9 | 0 | 0 | 0 | 113 | K189 D1424 I1425 L1426 R1432 | K189-D1428 IonicContact NZ-OD1 3.11Å; K189-D1428 PolarHBondContact NZ-OD1 3.01Å; K189-D1428 IonicContact NZ-OD2 2.74Å; K189-D1428 PolarHBondContact NZ-OD2 3.07Å; D1424-D1428 PolarHBondContact O-N 2.8Å; D1424-D1428 VanDerWaalsContact O-N 3.08Å; I1425-D1428 CarbonylContact O-C 3.58Å; L1426-D1428 VanDerWaalsContact C-N 3.31Å; L1426-D1428 PolarHBondContact O-N 2.9Å; D1428-R1432 VanDerWaalsContact O-CB 3.32Å; D1428-R1432 WeakPolarHBondContact O-CB 3.43Å; D1428-R1432 VanDerWaalsContact O-CG 3.3Å; D1428-R1432 WeakPolarHBondContact O-CG 3.34Å; D1428-R1432 PolarHBondContact O-N 2.88Å; D1428-R1432 VanDerWaalsContact O-N 3.08Å; D1428-R1432 PolarHBondContact O-NE 3.4Å |
| 1429 | A | 56.4 | Low | 46.2 | Very low | 44 Ų | 44 | 86 Ų | 86 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74.8 | -48.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1425 L1426 L1427 L1431 R1432 A1433 | I1425-A1429 VanDerWaalsContact O-CB 3.26Å; I1425-A1429 WeakPolarHBondContact O-CB 3.47Å; I1425-A1429 PolarHBondContact O-N 3.38Å; L1426-A1429 WeakPolarHBondContact O-CB 3.23Å; L1426-A1429 PolarHBondContact O-N 3.15Å; L1427-A1429 VanDerWaalsContact C-N 3.28Å; L1427-A1429 PolarHBondContact O-N 3.19Å; A1429-L1431 VanDerWaalsContact C-N 3.27Å; A1429-L1431 PolarHBondContact O-N 3.19Å; A1429-R1432 PolarHBondContact O-N 2.7Å; A1429-R1432 VanDerWaalsContact O-N 3.14Å; A1429-A1433 PolarHBondContact O-N 2.95Å |
| 1430 | C | 51.8 | Low | 45.8 | Very low | 29 Ų | 29 | 84.9 Ų | 84.9 | 20% | 0.196 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -56.1 | -43.4 | 172.5 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | L193 L1426 L1427 A1433 S1434 | L193-C1430 HydrophobicContact CD1-CB 4.19Å; L1426-C1430 PolarHBondContact O-N 3.37Å; L1426-C1430 PolarHBondContact O-SG 3.16Å; L1426-C1430 VanDerWaalsContact O-SG 3.37Å; L1427-C1430 PolarHBondContact O-N 3.13Å; C1430-A1433 PolarHBondContact O-N 2.97Å; C1430-S1434 PolarHBondContact O-N 3.03Å |
| 1431 | L | 56.2 | Low | 44.9 | Very low | 8 Ų | 8 | 92.4 Ų | 92.4 | 4% | 0.042 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -70.4 | -28.9 | 178 | -67.5 | 162.2 | 0 | 0 | 0 | 113.9 | K189 L192 L1427 A1429 S1434 T1435 | K189-L1431 HydrophobicContact CB-CD1 3.76Å; K189-L1431 HydrophobicContact CD-CD1 3.56Å; K189-L1431 HydrophobicContact CG-CD1 3.59Å; L192-L1431 HydrophobicContact CB-CD2 4.22Å; L192-L1431 HydrophobicContact CD2-CD2 4Å; L192-L1431 HydrophobicContact CG-CD2 4.33Å; L1427-L1431 HydrophobicContact CD1-CD1 4.06Å; L1427-L1431 HydrophobicContact CD1-CG 4.47Å; L1427-L1431 HydrophobicContact CG-CD1 3.89Å; L1427-L1431 WeakPolarHBondContact O-CB 3.45Å; L1427-L1431 WeakPolarHBondContact O-CD1 3.21Å; L1427-L1431 VanDerWaalsContact O-CG 3.25Å; L1427-L1431 WeakPolarHBondContact O-CG 3.26Å; L1427-L1431 PolarHBondContact O-N 2.76Å; A1429-L1431 VanDerWaalsContact C-N 3.27Å; A1429-L1431 PolarHBondContact O-N 3.19Å; L1431-S1434 CarbonylContact O-C 3.46Å; L1431-S1434 WeakPolarHBondContact O-CA 3.44Å; L1431-S1434 WeakPolarHBondContact O-CB 3.26Å; L1431-S1434 PolarHBondContact O-N 3.08Å; L1431-T1435 PolarHBondContact O-N 3.31Å; L1431-T1435 PolarHBondContact O-OG1 3.24Å |
| 1432 | R | 55.1 | Low | 44.2 | Very low | 157 Ų | 157 | 87.6 Ų | 87.6 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -80.9 | -26.8 | 173.8 | -79.3 | 174.8 | -70.6 | -175.3 | -2 | 113.4 | D1428 A1429 S1434 T1435 | D1428-R1432 VanDerWaalsContact O-CB 3.32Å; D1428-R1432 WeakPolarHBondContact O-CB 3.43Å; D1428-R1432 VanDerWaalsContact O-CG 3.3Å; D1428-R1432 WeakPolarHBondContact O-CG 3.34Å; D1428-R1432 PolarHBondContact O-N 2.88Å; D1428-R1432 VanDerWaalsContact O-N 3.08Å; D1428-R1432 PolarHBondContact O-NE 3.4Å; A1429-R1432 PolarHBondContact O-N 2.7Å; A1429-R1432 VanDerWaalsContact O-N 3.14Å; R1432-S1434 PolarHBondContact O-N 3.25Å; R1432-T1435 PolarHBondContact O-N 3.31Å; R1432-T1435 VanDerWaalsContact O-O 3.1Å |
| 1433 | A | 53 | Low | 43.5 | Very low | 89 Ų | 89 | 84.8 Ų | 84.8 | 74% | 0.736 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.5 | -29.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111 | A1429 C1430 | A1429-A1433 PolarHBondContact O-N 2.95Å; C1430-A1433 PolarHBondContact O-N 2.97Å |
| 1434 | S | 42.5 | Very low | 43 | Very low | 5 Ų | 5 | 84.3 Ų | 84.3 | 4% | 0.035 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -70.8 | -24.8 | 175.8 | -143.2 | 0 | 0 | 0 | 0 | 114 | D196 K249 C1430 L1431 R1432 | D196-S1434 WeakPolarHBondContact OD2-CB 3.11Å; D196-S1434 PolarHBondContact OD2-OG 3.31Å; K249-S1434 VanDerWaalsContact CE-O 3.24Å; K249-S1434 WeakPolarHBondContact CE-O 3.35Å; K249-S1434 PolarHBondContact NZ-O 3.36Å; K249-S1434 PolarHBondContact NZ-OG 3.36Å; C1430-S1434 PolarHBondContact O-N 3.03Å; L1431-S1434 CarbonylContact O-C 3.46Å; L1431-S1434 WeakPolarHBondContact O-CA 3.44Å; L1431-S1434 WeakPolarHBondContact O-CB 3.26Å; L1431-S1434 PolarHBondContact O-N 3.08Å; R1432-S1434 PolarHBondContact O-N 3.25Å |
| 1435 | T | 42 | Very low | 41.7 | Very low | 24 Ų | 24 | 86.1 Ų | 86.1 | 15% | 0.147 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -118 | 100.4 | 179.9 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | T245 L1431 R1432 S1437 | T245-T1435 HydrophobicContact CG2-CG2 4.16Å; L1431-T1435 PolarHBondContact O-N 3.31Å; L1431-T1435 PolarHBondContact O-OG1 3.24Å; R1432-T1435 PolarHBondContact O-N 3.31Å; R1432-T1435 VanDerWaalsContact O-O 3.1Å; T1435-S1437 PolarHBondContact O-N 3.23Å |
| 1436 | P | 40.5 | Very low | 40.2 | Very low | 84 Ų | 84 | 91.2 Ų | 91.2 | 55% | 0.545 | 55% | 0.55 | S | S | . | * | trans | -73 | 97.7 | -169.5 | 28.5 | -35.4 | 0 | 0 | 0 | 113.1 | ||||
| 1437 | S | 30.2 | Very low | 39 | Very low | 93 Ų | 93 | 99.4 Ų | 99.4 | 65% | 0.65 | 58% | 0.576 | S | S | * | * | trans | -124.3 | 101.3 | 176 | -164.9 | 0 | 0 | 0 | 0 | 112.8 | T1435 | T1435-S1437 PolarHBondContact O-N 3.23Š| ||
| 1438 | I | 28.2 | Very low | 37.5 | Very low | 145 Ų | 145 | 103.8 Ų | 103.8 | 74% | 0.744 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 44 | 84.1 | 155.9 | -44.2 | -179.5 | 0 | 0 | 0 | 116.8 | ||
| 1439 | N | 25.3 | Very low | 36 | Very low | 158 Ų | 158 | 106.7 Ų | 106.7 | 85% | 0.845 | 63% | 0.625 | S | S | * | * | 178.4 | 90.2 | 121.6 | -93.5 | -37.7 | 0 | 0 | 0 | 113.9 | |||||
| 1440 | S | 28.6 | Very low | 34.6 | Very low | 120 Ų | 120 | 110.4 Ų | 110.4 | 84% | 0.839 | 65% | 0.645 | S | S | * | * | trans | -158 | 141.5 | 148.7 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1441 | H | 24.9 | Very low | 33.5 | Very low | 207 Ų | 207 | 119.2 Ų | 119.2 | 96% | 0.958 | 68% | 0.68 | S | S | * | * | trans | -123.7 | 106.6 | 172.8 | -87 | -39.3 | 0 | 0 | 0 | 108.7 | ||||
| 1442 | G | 27.6 | Very low | 32.3 | Very low | 76 Ų | 76 | 126.2 Ų | 126.2 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | trans | -165 | 80.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1443 | A | 25.2 | Very low | 31 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 88% | 0.876 | 73% | 0.731 | S | S | * | * | trans | -97.9 | 131.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1444 | P | 30.4 | Very low | 29.9 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | trans | -115.3 | 119 | 164.4 | 34.5 | -23.8 | 0 | 0 | 0 | 113.8 | ||||
| 1445 | G | 28.3 | Very low | 29.3 | Very low | 76 Ų | 76 | 146.9 Ų | 146.9 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 46.6 | 93.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | R1447 | G1445-R1447 PolarHBondContact O-N 3.34Š| ||
| 1446 | R | 25.9 | Very low | 28.9 | Very low | 228 Ų | 228 | 151.4 Ų | 151.4 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -52.1 | 132.4 | 159.8 | -87.5 | -172.6 | 171 | -140.9 | -1.3 | 112.1 | ||||
| 1447 | R | 27.6 | Very low | 28.5 | Very low | 247 Ų | 247 | 154 Ų | 154 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | -122.4 | 137.3 | 148 | -75.2 | -172.1 | 176.7 | 179.8 | 1.9 | 109.2 | G1445 | G1445-R1447 PolarHBondContact O-N 3.34Š| ||
| 1448 | V | 25.3 | Very low | 29 | Very low | 113 Ų | 113 | 155.4 Ų | 155.4 | 69% | 0.685 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 126.6 | -174 | 175.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1449 | P | 30.2 | Very low | 29.9 | Very low | 107 Ų | 107 | 157.9 Ų | 157.9 | 70% | 0.695 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 146.9 | 171 | 30.4 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 1450 | P | 28.6 | Very low | 31.4 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 150.5 | -175.8 | 28.8 | -35 | 0 | 0 | 0 | 112.7 | D1452 | P1450-D1452 PolarHBondContact O-N 3.14Å; P1450-D1452 VanDerWaalsContact O-N 3.08Å |
| 1451 | K | 28.1 | Very low | 33.2 | Very low | 215 Ų | 215 | 151.2 Ų | 151.2 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | trans | -66 | 104.8 | 176.5 | -73.8 | -177.5 | 174.4 | -178.4 | 0 | 111.2 | ||||
| 1452 | D | 30.5 | Very low | 35.5 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -79.1 | 149.9 | 171.7 | -131.6 | -39.5 | 0 | 0 | 0 | 112.7 | P1450 R1454 | P1450-D1452 PolarHBondContact O-N 3.14Å; P1450-D1452 VanDerWaalsContact O-N 3.08Å; D1452-R1454 PolarHBondContact O-N 3.25Å | ||
| 1453 | R | 28.9 | Very low | 37.7 | Very low | 231 Ų | 231 | 141.6 Ų | 141.6 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | trans | -82.4 | 108.5 | -171.8 | -87.5 | 174.9 | 157.2 | 158.7 | -7.9 | 111.4 | R1455 | R1453-R1455 PolarHBondContact O-N 3.08Å; R1453-R1455 VanDerWaalsContact O-N 3.1Å | ||
| 1454 | R | 29.4 | Very low | 39.9 | Very low | 216 Ų | 216 | 138.9 Ų | 138.9 | 82% | 0.815 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 116 | 168.5 | -65.9 | -174.6 | -176.8 | 177.2 | 3.3 | 110.3 | D307 D1452 | D307-R1454 IonicContact OD1-NH2 2.72Å; D1452-R1454 PolarHBondContact O-N 3.25Å |
| 1455 | R | 29.3 | Very low | 41.9 | Very low | 238 Ų | 238 | 134.7 Ų | 134.7 | 90% | 0.898 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 131.1 | 160.7 | -61.6 | -173 | -167.6 | -176.1 | 6 | 108 | R1453 | R1453-R1455 PolarHBondContact O-N 3.08Å; R1453-R1455 VanDerWaalsContact O-N 3.1Å |
| 1456 | P | 33.4 | Very low | 43.7 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 118.8 | 174.7 | 32.4 | -29.8 | 0 | 0 | 0 | 110.6 | ||
| 1457 | T | 33.6 | Very low | 45.6 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 86% | 0.859 | 60% | 0.598 | S | S | * | * | trans | 167.8 | 76.4 | 143.3 | 43.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1458 | D | 39.9 | Very low | 47.3 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 65% | 0.652 | 59% | 0.587 | S | S | * | * | trans | -136.7 | 135.9 | 151.1 | -106.5 | -33.7 | 0 | 0 | 0 | 105.9 | Q331 S1460 | Q331-D1458 PolarHBondContact NE2-OD2 2.93Å; D1458-S1460 PolarHBondContact O-N 3.39Å | ||
| 1459 | R | 47.6 | Very low | 49.1 | Very low | 196 Ų | 196 | 120.2 Ų | 120.2 | 74% | 0.74 | 58% | 0.583 | S | S | * | * | trans | -80.8 | 86.8 | 178.6 | -80.9 | -177.8 | 165.7 | 177.6 | -6.5 | 108.9 | R1461 | R1459-R1461 PolarHBondContact O-N 3.08Š| ||
| 1460 | S | 55.1 | Low | 50.2 | Low | 61 Ų | 61 | 120.6 Ų | 120.6 | 43% | 0.427 | 57% | 0.573 | S | S | . | * | trans | -56.5 | 130.6 | 176.1 | 55.7 | 0 | 0 | 0 | 0 | 111.1 | D1458 F1462 | D1458-S1460 PolarHBondContact O-N 3.39Å; S1460-F1462 VanDerWaalsContact OG-CZ 3.25Å; S1460-F1462 WeakPolarHBondContact OG-CZ 3.23Å | ||
| 1461 | R | 67.5 | Low | 51.2 | Low | 77 Ų | 77 | 124.2 Ų | 124.2 | 29% | 0.291 | 58% | 0.577 | S | S | . | * | trans | -66.6 | 145.8 | 164.8 | -174.7 | 171.9 | 175.2 | 178.5 | -3.3 | 108.3 | D258 Y261 D262 D265 R1459 | D258-R1461 PolarHBondContact O-NH1 3.2Å; D258-R1461 VanDerWaalsContact O-NH1 3.15Å; Y261-R1461 VanDerWaalsContact CB-CZ 3.47Å; Y261-R1461 HydrophobicContact CD2-CB 3.74Å; Y261-R1461 HydrophobicContact CD2-CG 3.54Å; Y261-R1461 HydrophobicContact CE2-CB 3.94Å; Y261-R1461 HydrophobicContact CE2-CG 4.08Å; Y261-R1461 WeakPolarHBondContact CE2-O 3.47Å; Y261-R1461 HydrophobicContact CG-CG 4.02Å; Y261-R1461 PolarHBondContact OH-O 3.22Å; D262-R1461 IonicContact OD1-CZ 2.7Å; D262-R1461 VanDerWaalsContact OD1-CZ 3.24Å; D262-R1461 IonicContact OD1-NH1 3.78Å; D262-R1461 PolarHBondContact OD1-NH1 3.41Å; D262-R1461 IonicContact OD1-NH2 3.86Å; D262-R1461 PolarHBondContact OD1-NH2 2.95Å; D262-R1461 IonicContact OD2-NH1 3.05Å; D265-R1461 IonicContact OD2-CZ 3.7Å; D265-R1461 IonicContact OD2-NE 3.86Å; D265-R1461 IonicContact OD2-NH2 2.69Å; D265-R1461 PolarHBondContact OD2-NH2 3.09Å; R1459-R1461 PolarHBondContact O-N 3.08Å | ||
| 1462 | F | 73 | Confident | 52.3 | Low | 80 Ų | 80 | 117.4 Ų | 117.4 | 35% | 0.351 | 55% | 0.55 | S | S | . | * | trans | -121 | 159.9 | 171.6 | -63.7 | -64.1 | 0 | 0 | 0 | 108.2 | D304 S1460 R1466 | D304-F1462 WeakPolarHBondContact O-CD1 3.31Å; D304-F1462 WeakPolarHBondContact O-CE1 3.4Å; D304-F1462 WeakPolarHBondContact OD1-CA 3.28Å; D304-F1462 WeakPolarHBondContact OD1-CB 3.47Å; S1460-F1462 VanDerWaalsContact OG-CZ 3.25Å; S1460-F1462 WeakPolarHBondContact OG-CZ 3.23Å; F1462-R1466 HydrophobicContact CB-CB 4.46Å; F1462-R1466 HydrophobicContact CB-CG 4.37Å | ||
| 1463 | S | 73.6 | Confident | 53.6 | Low | 2 Ų | 2 | 112.6 Ų | 112.6 | 1% | 0.014 | 53% | 0.532 | C | S | . | . | trans | -58.5 | 148.6 | 175.1 | 69.6 | 0 | 0 | 0 | 0 | 111.1 | Y261 D304 R1465 R1466 T1467 | Y261-S1463 VanDerWaalsContact CE1-N 3.27Å; D304-S1463 PolarHBondContact OD1-N 3.27Å; D304-S1463 PolarHBondContact OD1-OG 3.07Å; D304-S1463 WeakPolarHBondContact OD2-CB 3.34Å; D304-S1463 PolarHBondContact OD2-OG 3.31Å; S1463-R1465 PolarHBondContact O-N 3.32Å; S1463-R1466 PolarHBondContact O-N 2.95Å; S1463-R1466 WeakPolarHBondContact OG-CB 3.29Å; S1463-R1466 PolarHBondContact OG-N 3.15Å; S1463-T1467 WeakPolarHBondContact O-CB 3.33Å; S1463-T1467 PolarHBondContact O-N 3.42Å; S1463-T1467 PolarHBondContact O-OG1 3.36Å | ||
| 1464 | V | 72.5 | Confident | 54.9 | Low | 48 Ų | 48 | 108.2 Ų | 108.2 | 29% | 0.291 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -51 | -39 | 167.3 | 159.9 | 0 | 0 | 0 | 0 | 110.6 | D265 R1466 T1467 L1468 | D265-V1464 HydrophobicContact CB-CG2 3.88Å; D265-V1464 WeakPolarHBondContact OD1-CB 3.49Å; D265-V1464 WeakPolarHBondContact OD1-CG2 3.46Å; D265-V1464 PolarHBondContact OD1-N 3.49Å; V1464-R1466 PolarHBondContact O-N 3.34Å; V1464-T1467 PolarHBondContact O-N 2.99Å; V1464-L1468 HydrophobicContact CG1-CD1 3.67Å; V1464-L1468 HydrophobicContact CG1-CG 4.24Å; V1464-L1468 WeakPolarHBondContact O-CB 3.35Å; V1464-L1468 VanDerWaalsContact O-CG 3.28Å; V1464-L1468 WeakPolarHBondContact O-CG 3.34Å; V1464-L1468 PolarHBondContact O-N 2.91Å |
| 1465 | R | 71.4 | Confident | 56.2 | Low | 37 Ų | 37 | 103.2 Ų | 103.2 | 14% | 0.14 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | -179.2 | -166.7 | 160.3 | 166.9 | -163.5 | -9.8 | 113.2 | E268 Q273 E297 S1463 N1469 | E268-R1465 WeakPolarHBondContact OE1-CD 3.47Å; E268-R1465 IonicContact OE1-CZ 2.66Å; E268-R1465 IonicContact OE1-NE 3.06Å; E268-R1465 IonicContact OE1-NH1 2.79Å; E268-R1465 PolarHBondContact OE1-NH1 3.09Å; E268-R1465 IonicContact OE2-NH1 3.68Å; Q273-R1465 VanDerWaalsContact CD-NE 3.3Å; E297-R1465 IonicContact OE1-CZ 3.64Å; E297-R1465 IonicContact OE1-NH1 3.04Å; E297-R1465 PolarHBondContact OE1-NH1 3.39Å; E297-R1465 IonicContact OE1-NH2 2.73Å; E297-R1465 PolarHBondContact OE1-NH2 3.24Å; E297-R1465 IonicContact OE2-CZ 2.72Å; E297-R1465 IonicContact OE2-NH1 3.88Å; E297-R1465 IonicContact OE2-NH2 3.13Å; E297-R1465 PolarHBondContact OE2-NH2 2.84Å; S1463-R1465 PolarHBondContact O-N 3.32Å; R1465-N1469 WeakPolarHBondContact O-CB 3.37Å; R1465-N1469 PolarHBondContact O-N 3.47Å; R1465-N1469 VanDerWaalsContact O-N 3.08Å; R1465-N1469 PolarHBondContact O-ND2 2.91Å |
| 1466 | R | 67 | Low | 57.6 | Low | 53 Ų | 53 | 95.5 Ų | 95.5 | 20% | 0.2 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -70.7 | -39.4 | 171.5 | 176.4 | 168.5 | 175.2 | 132.4 | -19.8 | 112.1 | D304 F1462 S1463 V1464 L1468 N1469 K1470 | D304-R1466 PolarHBondContact O-NE 2.66Å; D304-R1466 PolarHBondContact O-NH1 3.03Å; D304-R1466 PolarHBondContact O-NH2 2.77Å; D304-R1466 VanDerWaalsContact OD1-CD 3.25Å; D304-R1466 WeakPolarHBondContact OD1-CD 3.41Å; D304-R1466 VanDerWaalsContact OD2-CB 3.31Å; D304-R1466 WeakPolarHBondContact OD2-CB 3.35Å; F1462-R1466 HydrophobicContact CB-CB 4.46Å; F1462-R1466 HydrophobicContact CB-CG 4.37Å; S1463-R1466 PolarHBondContact O-N 2.95Å; S1463-R1466 WeakPolarHBondContact OG-CB 3.29Å; S1463-R1466 PolarHBondContact OG-N 3.15Å; V1464-R1466 PolarHBondContact O-N 3.34Å; R1466-L1468 VanDerWaalsContact C-N 3.28Å; R1466-L1468 PolarHBondContact O-N 3.5Å; R1466-N1469 PolarHBondContact O-N 2.95Å; R1466-K1470 HydrophobicContact CG-CD 4.17Å; R1466-K1470 WeakPolarHBondContact O-CB 3.43Å; R1466-K1470 PolarHBondContact O-N 3.09Å |
| 1467 | T | 65.4 | Low | 59 | Low | 62 Ų | 62 | 93.1 Ų | 93.1 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.4 | -28.2 | 179.3 | -53.1 | 0 | 0 | 0 | 0 | 112.8 | S1463 V1464 L1472 | S1463-T1467 WeakPolarHBondContact O-CB 3.33Å; S1463-T1467 PolarHBondContact O-N 3.42Å; S1463-T1467 PolarHBondContact O-OG1 3.36Å; V1464-T1467 PolarHBondContact O-N 2.99Å; T1467-L1472 HydrophobicContact CG2-CD2 4.41Å |
| 1468 | L | 63 | Low | 60.6 | Low | 134 Ų | 134 | 90.7 Ų | 90.7 | 70% | 0.702 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -84.4 | -43.5 | 173.2 | -70.1 | 171.9 | 0 | 0 | 0 | 112.9 | V1464 R1466 | V1464-L1468 HydrophobicContact CG1-CD1 3.67Å; V1464-L1468 HydrophobicContact CG1-CG 4.24Å; V1464-L1468 WeakPolarHBondContact O-CB 3.35Å; V1464-L1468 VanDerWaalsContact O-CG 3.28Å; V1464-L1468 WeakPolarHBondContact O-CG 3.34Å; V1464-L1468 PolarHBondContact O-N 2.91Å; R1466-L1468 VanDerWaalsContact C-N 3.28Å; R1466-L1468 PolarHBondContact O-N 3.5Å |
| 1469 | N | 62.9 | Low | 61.8 | Low | 112 Ų | 112 | 86.6 Ų | 86.6 | 60% | 0.599 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -79 | -35.8 | -174.5 | -74.6 | -59.7 | 0 | 0 | 0 | 113.5 | R1465 R1466 | R1465-N1469 WeakPolarHBondContact O-CB 3.37Å; R1465-N1469 PolarHBondContact O-N 3.47Å; R1465-N1469 VanDerWaalsContact O-N 3.08Å; R1465-N1469 PolarHBondContact O-ND2 2.91Å; R1466-N1469 PolarHBondContact O-N 2.95Å |
| 1470 | K | 54.3 | Low | 62.5 | Low | 114 Ų | 114 | 81.2 Ų | 81.2 | 50% | 0.496 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -92.7 | 109.2 | 166.8 | -63.7 | 179.6 | -175.2 | 172.8 | 0 | 106.3 | R1466 L1472 | R1466-K1470 HydrophobicContact CG-CD 4.17Å; R1466-K1470 WeakPolarHBondContact O-CB 3.43Å; R1466-K1470 PolarHBondContact O-N 3.09Å; K1470-L1472 PolarHBondContact O-N 3.25Å |
| 1471 | K | 49 | Very low | 63.1 | Low | 197 Ų | 197 | 83.2 Ų | 83.2 | 86% | 0.857 | 42% | 0.416 | S | S | * | . | trans | -45.5 | 127.9 | 169.1 | -69 | -176.4 | 178.9 | -177.8 | 0 | 107.9 | A1473 | K1471-A1473 PolarHBondContact O-N 3.29Š| ||
| 1472 | L | 51.4 | Low | 63.2 | Low | 73 Ų | 73 | 86 Ų | 86 | 38% | 0.382 | 43% | 0.432 | S | S | . | . | trans | -38.6 | 135.6 | 176.5 | -80.3 | 148 | 0 | 0 | 0 | 110.2 | T1467 K1470 E1474 D1476 I1477 I1480 | T1467-L1472 HydrophobicContact CG2-CD2 4.41Å; K1470-L1472 PolarHBondContact O-N 3.25Å; L1472-E1474 PolarHBondContact O-N 3.26Å; L1472-D1476 HydrophobicContact CB-CB 4.34Å; L1472-D1476 HydrophobicContact CD2-CB 3.91Å; L1472-I1477 HydrophobicContact CB-CD1 4.24Å; L1472-I1477 HydrophobicContact CB-CG1 3.6Å; L1472-I1477 WeakPolarHBondContact O-CD1 3.31Å; L1472-I1480 HydrophobicContact CD1-CD1 4.03Å; L1472-I1480 HydrophobicContact CD2-CD1 4.15Å | ||
| 1473 | A | 57.6 | Low | 62.9 | Low | 54 Ų | 54 | 85.9 Ų | 85.9 | 45% | 0.446 | 44% | 0.437 | S | S | . | . | trans | -55.3 | 146.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | K1471 D1475 D1476 I1477 | K1471-A1473 PolarHBondContact O-N 3.29Å; A1473-D1475 PolarHBondContact O-N 3.27Å; A1473-D1476 WeakPolarHBondContact CB-OD2 3.46Å; A1473-D1476 WeakPolarHBondContact O-CA 3.31Å; A1473-D1476 WeakPolarHBondContact O-CB 3.36Å; A1473-D1476 PolarHBondContact O-N 3.2Å; A1473-I1477 PolarHBondContact O-N 3.28Å | ||
| 1474 | E | 56 | Low | 62.8 | Low | 139 Ų | 139 | 90.8 Ų | 90.8 | 65% | 0.65 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60 | -23.8 | -170.4 | -149.4 | -171.5 | -135.7 | 0 | 0 | 112.2 | L1472 K1478 | L1472-E1474 PolarHBondContact O-N 3.26Å; E1474-K1478 VanDerWaalsContact O-CD 3.27Å; E1474-K1478 WeakPolarHBondContact O-CD 3.44Å; E1474-K1478 WeakPolarHBondContact O-CE 3.44Å; E1474-K1478 WeakPolarHBondContact O-CG 3.47Å; E1474-K1478 PolarHBondContact O-N 3.07Å; E1474-K1478 VanDerWaalsContact O-N 3.08Å; E1474-K1478 IonicContact OE2-NZ 3.92Å; E1474-K1478 PolarHBondContact OE2-NZ 2.68Å |
| 1475 | D | 57 | Low | 62.5 | Low | 111 Ų | 111 | 93.4 Ų | 93.4 | 59% | 0.594 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -82.4 | -27.4 | 174.5 | -56.1 | -32.1 | 0 | 0 | 0 | 113.7 | A1473 K1478 A1479 | A1473-D1475 PolarHBondContact O-N 3.27Å; D1475-K1478 IonicContact OD1-NZ 3.02Å; D1475-K1478 PolarHBondContact OD1-NZ 3.14Å; D1475-A1479 VanDerWaalsContact O-CB 3.28Å; D1475-A1479 WeakPolarHBondContact O-CB 3.49Å; D1475-A1479 PolarHBondContact O-N 2.92Å |
| 1476 | D | 58.5 | Low | 62.3 | Low | 75 Ų | 75 | 93.9 Ų | 93.9 | 40% | 0.401 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72 | -37.8 | 168.7 | -67.4 | -45.4 | 0 | 0 | 0 | 111 | L1472 A1473 A1479 I1480 | L1472-D1476 HydrophobicContact CB-CB 4.34Å; L1472-D1476 HydrophobicContact CD2-CB 3.91Å; A1473-D1476 WeakPolarHBondContact CB-OD2 3.46Å; A1473-D1476 WeakPolarHBondContact O-CA 3.31Å; A1473-D1476 WeakPolarHBondContact O-CB 3.36Å; A1473-D1476 PolarHBondContact O-N 3.2Å; D1476-A1479 PolarHBondContact O-N 3.44Å; D1476-I1480 WeakPolarHBondContact O-CB 3.48Å; D1476-I1480 VanDerWaalsContact O-CG1 3.31Å; D1476-I1480 WeakPolarHBondContact O-CG1 3.47Å; D1476-I1480 PolarHBondContact O-N 3.27Å |
| 1477 | I | 62.9 | Low | 62 | Low | 68 Ų | 68 | 95.1 Ų | 95.1 | 35% | 0.349 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -52.1 | 170.8 | -62.3 | 178.1 | 0 | 0 | 0 | 109.3 | L1472 A1473 A1479 I1480 E1481 | L1472-I1477 HydrophobicContact CB-CD1 4.24Å; L1472-I1477 HydrophobicContact CB-CG1 3.6Å; L1472-I1477 WeakPolarHBondContact O-CD1 3.31Å; A1473-I1477 PolarHBondContact O-N 3.28Å; I1477-A1479 VanDerWaalsContact C-N 3.28Å; I1477-A1479 PolarHBondContact O-N 2.78Å; I1477-I1480 PolarHBondContact O-N 2.87Å; I1477-I1480 VanDerWaalsContact O-N 3.17Å; I1477-E1481 HydrophobicContact CG2-CG 4.3Å; I1477-E1481 WeakPolarHBondContact O-CB 3.43Å; I1477-E1481 WeakPolarHBondContact O-CG 2.99Å; I1477-E1481 PolarHBondContact O-N 3.46Å |
| 1478 | K | 66.5 | Low | 62 | Low | 89 Ų | 89 | 96 Ų | 96 | 39% | 0.387 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.4 | -37.3 | 175.7 | -68.9 | 159.5 | -151.4 | 154.6 | 0 | 112.3 | E1474 D1475 H1482 | E1474-K1478 VanDerWaalsContact O-CD 3.27Å; E1474-K1478 WeakPolarHBondContact O-CD 3.44Å; E1474-K1478 WeakPolarHBondContact O-CE 3.44Å; E1474-K1478 WeakPolarHBondContact O-CG 3.47Å; E1474-K1478 PolarHBondContact O-N 3.07Å; E1474-K1478 VanDerWaalsContact O-N 3.08Å; E1474-K1478 IonicContact OE2-NZ 3.92Å; E1474-K1478 PolarHBondContact OE2-NZ 2.68Å; D1475-K1478 IonicContact OD1-NZ 3.02Å; D1475-K1478 PolarHBondContact OD1-NZ 3.14Å; K1478-H1482 WeakPolarHBondContact O-CB 3.44Å; K1478-H1482 PolarHBondContact O-N 3.31Å |
| 1479 | A | 64.7 | Low | 62 | Low | 36 Ų | 36 | 97.9 Ų | 97.9 | 30% | 0.298 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1475 D1476 I1477 H1482 V1483 | D1475-A1479 VanDerWaalsContact O-CB 3.28Å; D1475-A1479 WeakPolarHBondContact O-CB 3.49Å; D1475-A1479 PolarHBondContact O-N 2.92Å; D1476-A1479 PolarHBondContact O-N 3.44Å; I1477-A1479 VanDerWaalsContact C-N 3.28Å; I1477-A1479 PolarHBondContact O-N 2.78Å; A1479-H1482 PolarHBondContact O-N 2.89Å; A1479-V1483 WeakPolarHBondContact O-CG2 3.48Å; A1479-V1483 PolarHBondContact O-N 3.22Å |
| 1480 | I | 64.2 | Low | 61.2 | Low | 83 Ų | 83 | 100.4 Ų | 100.4 | 43% | 0.426 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.2 | -45.9 | 175.1 | -69.6 | 166 | 0 | 0 | 0 | 110.3 | L1472 D1476 I1477 H1482 V1483 I1484 | L1472-I1480 HydrophobicContact CD1-CD1 4.03Å; L1472-I1480 HydrophobicContact CD2-CD1 4.15Å; D1476-I1480 WeakPolarHBondContact O-CB 3.48Å; D1476-I1480 VanDerWaalsContact O-CG1 3.31Å; D1476-I1480 WeakPolarHBondContact O-CG1 3.47Å; D1476-I1480 PolarHBondContact O-N 3.27Å; I1477-I1480 PolarHBondContact O-N 2.87Å; I1477-I1480 VanDerWaalsContact O-N 3.17Å; I1480-H1482 VanDerWaalsContact C-N 3.32Å; I1480-H1482 PolarHBondContact O-N 3.14Å; I1480-V1483 PolarHBondContact O-N 3.03Å; I1480-I1484 HydrophobicContact CG2-CD1 3.71Å; I1480-I1484 HydrophobicContact CG2-CG1 4.38Å; I1480-I1484 WeakPolarHBondContact O-CB 3.39Å; I1480-I1484 VanDerWaalsContact O-CG1 3.3Å; I1480-I1484 WeakPolarHBondContact O-CG1 3.31Å; I1480-I1484 PolarHBondContact O-N 3.46Å |
| 1481 | E | 66.9 | Low | 61.6 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 49% | 0.486 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.3 | -43 | 173.2 | -74.8 | -176.9 | 157.6 | 0 | 0 | 111.9 | I1477 I1484 Q1485 | I1477-E1481 HydrophobicContact CG2-CG 4.3Å; I1477-E1481 WeakPolarHBondContact O-CB 3.43Å; I1477-E1481 WeakPolarHBondContact O-CG 2.99Å; I1477-E1481 PolarHBondContact O-N 3.46Å; E1481-I1484 PolarHBondContact O-N 3.11Å; E1481-Q1485 WeakPolarHBondContact O-CB 3.27Å; E1481-Q1485 VanDerWaalsContact O-CG 3.29Å; E1481-Q1485 WeakPolarHBondContact O-CG 3.41Å; E1481-Q1485 PolarHBondContact O-N 3.22Å |
| 1482 | H | 68.7 | Low | 62.2 | Low | 136 Ų | 136 | 94.6 Ų | 94.6 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.9 | -34.3 | 178.2 | -166.3 | -79.2 | 0 | 0 | 0 | 112.3 | K1478 A1479 I1480 A1486 | K1478-H1482 WeakPolarHBondContact O-CB 3.44Å; K1478-H1482 PolarHBondContact O-N 3.31Å; A1479-H1482 PolarHBondContact O-N 2.89Å; I1480-H1482 VanDerWaalsContact C-N 3.32Å; I1480-H1482 PolarHBondContact O-N 3.14Å; H1482-A1486 VanDerWaalsContact O-CB 3.25Å; H1482-A1486 WeakPolarHBondContact O-CB 3.38Å; H1482-A1486 PolarHBondContact O-N 2.7Å |
| 1483 | V | 68 | Low | 62.8 | Low | 76 Ų | 76 | 95.8 Ų | 95.8 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.3 | -38.6 | 172.5 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | A1479 I1480 A1486 S1487 | A1479-V1483 WeakPolarHBondContact O-CG2 3.48Å; A1479-V1483 PolarHBondContact O-N 3.22Å; I1480-V1483 PolarHBondContact O-N 3.03Å; V1483-A1486 PolarHBondContact O-N 3.13Å; V1483-S1487 VanDerWaalsContact O-CB 3.28Å; V1483-S1487 WeakPolarHBondContact O-CB 3.42Å; V1483-S1487 PolarHBondContact O-N 2.76Å |
| 1484 | I | 69.9 | Low | 63.1 | Low | 105 Ų | 105 | 98.2 Ų | 98.2 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 174.7 | -69.6 | 169.6 | 0 | 0 | 0 | 110.3 | I1480 E1481 A1486 S1487 A1488 | I1480-I1484 HydrophobicContact CG2-CD1 3.71Å; I1480-I1484 HydrophobicContact CG2-CG1 4.38Å; I1480-I1484 WeakPolarHBondContact O-CB 3.39Å; I1480-I1484 VanDerWaalsContact O-CG1 3.3Å; I1480-I1484 WeakPolarHBondContact O-CG1 3.31Å; I1480-I1484 PolarHBondContact O-N 3.46Å; E1481-I1484 PolarHBondContact O-N 3.11Å; I1484-A1486 VanDerWaalsContact C-N 3.31Å; I1484-A1486 PolarHBondContact O-N 2.8Å; I1484-S1487 CarbonylContact O-C 3.6Å; I1484-S1487 PolarHBondContact O-N 3.33Å; I1484-A1488 VanDerWaalsContact O-CB 3.31Å; I1484-A1488 WeakPolarHBondContact O-CB 3.47Å; I1484-A1488 PolarHBondContact O-N 3.45Å |
| 1485 | Q | 66.8 | Low | 63.6 | Low | 104 Ų | 104 | 95.7 Ų | 95.7 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -32 | 175.6 | -74.5 | -174.8 | 29.7 | 0 | 0 | 112.9 | E1481 K1489 | E1481-Q1485 WeakPolarHBondContact O-CB 3.27Å; E1481-Q1485 VanDerWaalsContact O-CG 3.29Å; E1481-Q1485 WeakPolarHBondContact O-CG 3.41Å; E1481-Q1485 PolarHBondContact O-N 3.22Å; Q1485-K1489 WeakPolarHBondContact O-CB 3.44Å; Q1485-K1489 WeakPolarHBondContact O-CD 2.93Å; Q1485-K1489 VanDerWaalsContact O-CG 3.24Å; Q1485-K1489 WeakPolarHBondContact O-CG 3.45Å; Q1485-K1489 PolarHBondContact O-N 3.22Å |
| 1486 | A | 66.6 | Low | 64 | Low | 47 Ų | 47 | 94.7 Ų | 94.7 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.1 | -47.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H1482 V1483 I1484 A1488 K1489 T1490 | H1482-A1486 VanDerWaalsContact O-CB 3.25Å; H1482-A1486 WeakPolarHBondContact O-CB 3.38Å; H1482-A1486 PolarHBondContact O-N 2.7Å; V1483-A1486 PolarHBondContact O-N 3.13Å; I1484-A1486 VanDerWaalsContact C-N 3.31Å; I1484-A1486 PolarHBondContact O-N 2.8Å; A1486-A1488 PolarHBondContact O-N 2.87Å; A1486-K1489 PolarHBondContact O-N 3.15Å; A1486-T1490 PolarHBondContact O-N 2.63Å; A1486-T1490 PolarHBondContact O-OG1 3.3Å |
| 1487 | S | 62 | Low | 64.4 | Low | 78 Ų | 78 | 96.1 Ų | 96.1 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.8 | -9.6 | 178.6 | -166.8 | 0 | 0 | 0 | 0 | 114.8 | V1483 I1484 T1490 | V1483-S1487 VanDerWaalsContact O-CB 3.28Å; V1483-S1487 WeakPolarHBondContact O-CB 3.42Å; V1483-S1487 PolarHBondContact O-N 2.76Å; I1484-S1487 CarbonylContact O-C 3.6Å; I1484-S1487 PolarHBondContact O-N 3.33Å; S1487-T1490 PolarHBondContact O-OG1 3.2Å |
| 1488 | A | 64.5 | Low | 64.5 | Low | 82 Ų | 82 | 98.2 Ų | 98.2 | 68% | 0.678 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 2.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1484 A1486 | I1484-A1488 VanDerWaalsContact O-CB 3.31Å; I1484-A1488 WeakPolarHBondContact O-CB 3.47Å; I1484-A1488 PolarHBondContact O-N 3.45Å; A1486-A1488 PolarHBondContact O-N 2.87Å |
| 1489 | K | 62.6 | Low | 64.3 | Low | 172 Ų | 172 | 99 Ų | 99 | 75% | 0.748 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -9.7 | 169.9 | -76.6 | 170.6 | -178 | 165.6 | 0 | 112.5 | Q1485 A1486 | Q1485-K1489 WeakPolarHBondContact O-CB 3.44Å; Q1485-K1489 WeakPolarHBondContact O-CD 2.93Å; Q1485-K1489 VanDerWaalsContact O-CG 3.24Å; Q1485-K1489 WeakPolarHBondContact O-CG 3.45Å; Q1485-K1489 PolarHBondContact O-N 3.22Å; A1486-K1489 PolarHBondContact O-N 3.15Å |
| 1490 | T | 47.3 | Very low | 64.3 | Low | 165 Ų | 165 | 104.7 Ų | 104.7 | 100% | 1.012 | 58% | 0.582 | S | S | * | * | trans | -98.4 | 0 | 167.5 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | A1486 S1487 | A1486-T1490 PolarHBondContact O-N 2.63Å; A1486-T1490 PolarHBondContact O-OG1 3.3Å; S1487-T1490 PolarHBondContact O-OG1 3.2Å |
Retrieved 1,490 of 1,490 residues in 1303.7 ms
(Link to these results)